Grundinformationen
- Standard-SMILES
CC(O)COc1ccccc1- InChIKey
IBLKWZIFZMJLFL-UHFFFAOYSA-N- Summenformel
- C9H12O2
- Durchschnittliche Molmasse
- 152,19 g/mol
- Monoisotopische Masse
- 152,08372962
Namen und Bezeichner
- Bevorzugter Name
- 1-Phenoxy-2-propanol
- IUPAC
- 1-phenoxypropan-2-ol
- Lokaler Name
- 1-Phenoxypropan-2-ol
- Englischer Name
- 1-Phenoxy-2-propanol
- Summenformel
- C9H12O2
- Molmasse
- 152.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
41593-38-8、770-35-4- PubChem CID
- 92839
- DTXSID
DTXSID9027312- ChEMBL
CHEMBL1327532- UNII
- 87CZY0NY1A
- EC Number
- 212-222-7
- Nikkaji
- J47.817B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 97,7
Experimentelle und physikochemische Eigenschaften
LogP
log Kow = 1.50
1.5
Decomposition
Decomposition products depend upon the temperature, air supply, and the presence of other materials, but can include aldehydes, ketones, organic acids, and other compounds.
When heated to decomposition it emits acrid smoke and irritating vapors.
Physikochemische Eigenschaften
- Schmelzpunkt
- 11 °C · 11 °C
- Siedepunkt
- 243 °C · 243 °C (lit.)
- Dichte
- 1.064 g/mL · 1.064 g/mL at 20 °C (lit.)
- Dampfdruck
- 1 Pa · 1Pa at 20℃
- Brechungsindex
- 20 · n20/D 1.523(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Refrigerator
- Löslichkeit
- 15.1 g/L · water: soluble15.1g/L at 20°C
- Aggregatzustand
- Oil
- pka
- 14.43 · 14.43±0.20(Predicted)
- Farbe
- Clear Colourless
- Wichte
- 1.051 · 1.051
- Wasserlöslichkeit
- 15.1 g/L · 15.1g/L at 20℃
- BRN
- 1941356 · 1941356
- Henry's Law Constant
- 3.4 · 3.4×102 mol/(m3Pa) at 25℃, HSDB (2015)
- Stabilität
- Stable. Flammable. Incompatible with strong oxidizing agents.
- Kosmetik-Inhaltsstoffe Funktionen
- PRESERVATIVESOLVENT
- InChI
- 1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
- InChIKey
- IBLKWZIFZMJLFL-UHFFFAOYSA-N
- SMILES
- CC(O)COc1ccccc1
- LogP
- 1.41 at · 1.41 at 24.1℃
- CAS Datenbank
- 770 · 770-35-4(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Phenoxy-2-propanol(770-35-4)
- EPA chemische Informationen
- 1 · 1-Phenoxy-2-propanol (770-35-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (83 of 1367) of reports.
Warning
H319 (86.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 1367 reports by companies from 4 notifications to the ECHA C&L Inventory.
Danger
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propanol, 1-phenoxy-
2-Propanol, 1-phenoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-phenoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14251
Propylene phenoxytol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Severely irritating to eyes and not irritating to skin in rabbits; Not a skin sensitizer in guinea pigs using the Buehler method; Thermodynamically favored alpha isomer (secondary alcohol) comprising over 85% of the commercial product; CAS# 4169-04-4 is the beta isomer (primary alcohol), and CAS# 41593-38-8 is for the commercial product of mixed isomers; [OECD SIDS: Propylene Glycol Phenyl Ether - 2004] May cause irritation; [Acros Organics MSDS]
Special Reports
U.S. Chemical Safety Board; Freedom Industries Chemical Release. Accident Description: A leak originating from a storage tank at Freedom Industries contaminated the local water supply leaving hundreds of thousands of West Virginia residents without clean drinking water. The CSB's investigation is currently ongoing. No related Recommendations found.[U.S. Chemical Safety Board; Freedom Industries Chemical Release. Available from, as of July 17, 2014: http://www.csb.gov/freedom-industries-chemical-release-/]
CDC: Summary Report of Short-term Screening Level Calculation and Analysis of Available Animal Studies for Dipropylene Glycol Phenyl Ether (DiPPH) and Propylene Glycol Phenyl Ether (PPH)[CDC: Summary Report of Short-term Screening Level Calculation and Analysis of Available Animal Studies for Dipropylene Glycol Phenyl Ether (DiPPH) and Propylene Glycol Phenyl Ether (PPH); Available from, as of March 6, 2014: http://emergency.cdc.gov/chemical/MCHM/westvirginia2014/pdf/DiPPH-PPH-calculation.pdf]
OECD; Screening Information Dataset (SIDS) Inital Assessment Report for SIDS Initial Assessment Meeting (SIAM) 18, Proplylene Glycol Phenyl Ether (CAS 770-35-4) (2006). Summarize the literature on high production chemicals and provides an initial assessment.[Available from, as of August 14, 2014: http://www.inchem.org/pages/sids.html]
West Virginia Poison Center and Mid-Atlantic Center for Children's Health & the Environment; Factsheet February 10, 2014.[West Virginia Poison Center and Mid-Atlantic Center for Children's Health & the Environment; Factsheet February 10, 2014; Available from, as of April 3, 2014: http://www.childrensnational.org/files/PDF/MACCHE/Charleston_WV_Health_Professionals_Factsheet.pdf]
TSCA Requirements
Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 1/26/94; Reporting date: 3/28/94.
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1-Phenoxy-2-propanol is included on this list. Effective date: 1/26/94; Sunset date: 12/19/95.
History and Incidents
In the days immediately following January 9, 2014, the West Virginia Poison Center received calls from over 1,900 patients reporting chemical exposures related to the drinking water. Most reported symptoms included mild rashes and reddened skin from dermal exposure, or GI distress (nausea, vomiting and/or diarrhea) from ingesting contaminated water. The symptoms tendeed to be mild and self-limiting.
On January 9, 2014, an estimated 10,000 gallons of an industrial chemical, 4-Methylcyclohexanemethanol (MCHM), spilled into the Elk River just upstream from the Kanawha County municipal water intake in Charleston, West Virginia. This municipal water system serves nearly 300,000 people whose water was affected by the chemical spill. Due to the uncertainty over the chemical levels in the water supply, the Office of the Governor issued a "Do Not Use" order at 6:00 pm on January 9, 2014. Later that evening, the West Virginia Department of Health and Human Resources contacted CDC about the release and requested assistance to review water sampling data and provide a drinking water screening level for MCHM. On January 21, 2014, the manufacturer reported that another material was part of the chemical release that occurred on January 9, 2014. This material has been identified as a proprietary mixture primarily composed of propylene glycol phenyl ether (PPH) and dipropylene glycol phenyl ether (DiPPH). It was in the same tank and entered the water system at the same time as the MCHM. This mixture represented a relatively small percentage (approximately 7.3% by weight) of the total amount in the tank.
Toxic Combustion Products
During a fire, smoke may contain the original material in addition to toxic or irritating combustion products, which may include carbon monoxide and carbon dioxide. Violent steam generation or eruption may occur upon application of direct water stream to hot liquids.
Hazard Classes and Categories
Eye Irrit. 2 (86.1%)
Serious eye damage/eye irritation - Category 1
Sicherheit und Schutzausrüstung
Fire Fighting Procedures
Do not use a direct water stream; it may spread the fire. Use water fog or fine spray, carbon-dioxide or dry-chemical extinguishers, or foam. Water fog applied gently may be used as a blanket to extinguish the fire.
Wear positive-pressure, self-contained breathing apparatus (SCBA) and protective fire-fighting clothing or fight the fire from a safe distance.
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.
Preventive Measures
SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Toxikologische Informationen
Ecotoxicity Values
LC50; Species: Pimephales promelas (fathead minnows); Conditions: static (slightly aerated); Concentration: 280 mg/L for 96 hr (95% confidence interval: 263-297 mg/L)
LC50; Species: Leuciscus idus (Golden Orfe) adult; Conditions: static (slightly aerated), 20 +/- 1 °C; Concentration: 280 mg/L for 96 hr (95% confidence interval: 263-297 mg/L)
LC50; Species: Daphnia magna (Water flea); Concentration: 471 mg/L for 24 hr (95% confidence interval: 439-505 mg/L) /Conditions of bioassay not specified in source examined/
LC50; Species: Daphnia magna (Water flea); Concentration: 370 mg/L for 48 hr (95% confidence interval: 321-431 mg/L) /Conditions of bioassay not specified in source examined/
EC50; Species: Scenedesmus subspicatus (algae), 10000 cells/mL test volume, initially; Conditions: freshwater, static, 23 + or - 2 °C; Concentration: 74.5 mg/L for 72 hr; Effect: growth rate
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 23(SRC), determined from a structure estimation method(2), indicates that propylene glycol phenyl ether is expected to have very high mobility in soil(SRC). Volatilization of propylene glycol phenyl ether from moist soil surfaces is not expected to be an important fate process(SRC) given a an estimated Henry's Law constant of 2.9X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 0.00218 mm Hg(3), and water solubility, 1.51X10+4 mg/L(4). Propylene glycol phenyl ether enters the environment through evaporation from solvent or coating applications(5); therefore, it is expected to volatilize from dry soil surfaces(SRC). Propylene glycol phenyl ether biodegraded rapidly in aerobic soil degradation studies with initial half-lives of <5 days in two sandy loam soils(5); initial half-lives in a sandy soil ranged from <5 to <23 days(5). Biodegradation was much slower in anaerobic soil tests(5). Using OECD Guideline 301F (Manometric Respirometry Test), propylene glycol phenyl ether had a 60% degradation in 9.8 days and 72% degradation in 28 days which met the criteria for being classified as readily biodegradable(5). Propylene glycol phenyl ether was also readily biodegradable in Zahns-Wellens tests done in accordance with OECD guidelines(7).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 23(SRC), determined from a structure estimation method(2), indicates that propylene glycol phenyl ether is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.9X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 0.00218 mm Hg(4), and water solubility, 1.51X10+4 mg/L(5). According to a classification scheme(6), an estimated BCF of 2.5(SRC), from its log Kow of 1.50(4) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Propylene glycol phenyl ether is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Using OECD Guideline 301F (Manometric Respirometry Test), propylene glycol phenyl ether had a 60% degradation in 9.8 days and 72% degradation in 28 days which met the criteria for being classified as readily biodegradable(7). Propylene glycol phenyl ether was also readily biodegradable in Zahns-Wellens tests done in accordance with OECD guidelines(8).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), propylene glycol phenyl ether, which has a vapor pressure of 0.00218 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase propylene glycol phenyl ether is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 10 hours(SRC), calculated from its rate constant of 3.7X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Propylene glycol phenyl ether does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). [=
Ongoing Test Status
EPA has released the first beta version (version 0.5) of the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The beta version of the iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assays; See the data in Chemical Explorer/[USEPA; ICSS Dashboard Application; Available from, as of March 28, 2014: http://actor.epa.gov/dashboard/]
Soil Adsorption/Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc of propylene glycol phenyl ether can be estimated to be 23(SRC). According to a classification scheme(2), this estimated Koc value suggests that propylene glycol phenyl ether is expected to have very high mobility in soil.
Human Toxicity Excerpts
/GENOTOXICITY/ ... an in vitro chromosome aberration assay was conducted with PPh using human lymphocytes ... Concentrations of PPh up to 400 ug/mL were incubated with human lymphocytes, with and without metabolic activation. No increases in chromosomal aberrations were detected in this assay.
/OTHER TOXICITY INFORMATION/ Individuals applying paint or other PPh-containing coatings may be exposed to this propylene glycol ether. Dermal contact through minor spills or usage contact is a source of exposure, as is inhalation from aerosol or vapor generated during application or usage. General population exposure also is possible through inhalation of ambient air containing low concentrations of PPh that may be released from industrial processes or through evaporation of coatings or other products containing it. The rapid photochemical degradation of PPh would suggest that this means of exposure to the general population would be low. Ingestion of drinking water containing PPh as a contaminant (e.g., from a spill) also is possible. The ready biodegradability of PPh, again, would suggest that exposure of the general population to such a source of PPh would be low.
Artificial Pollution Sources
Propylene glycol phenyl ether's production and use as a solvent in paints, coatings, inks and adhesives, as a latex coalescent and dye carrier, and as an antibacterial agent in soaps and cosmetics(1) may result in its release to the environment through various waste streams(SRC).
Environmental Biodegradation
AEROBIC: In aerobic soil biodegradation studies using two sandy loam soils and one sandy soil collected in Michigan, propylene glycol phenyl ether had an initial 50% removal rate of <1 day in the sandy loam soils and <5 days in the sandy soil at initial concentrations of 1.4-1.5 ppm(1); at initial concentrations of 107-108 ppm, 50% removal was <5 days in the sandy loam soils and <23 days in the sandy soil(1); maximum percentage of 14-CO2 evolved ranged from 31-66%(1); negligible removal occurred in sterile soil controls(1). Using the three Michigan soils, after 2 months under anaerobic conditions (at a nominal concentration of 10 ppm), a 16% reduction in propylene glycol phenyl ether was observed in sodium acetate supplemented microcosms whereas, in the sterile controls, a 7% reduction was observed(2). Using OECD Guideline 301F (Manometric Respirometry Test) with a sediment and activated sludge inoculum, propylene glycol phenyl ether had a 60% degradation in 9.8 days and 72% degradation in 28 days which met the criteria for being classified as readily biodegradable(2). 20-Day BODs of 42% and 50% have been reported for propylene glycol phenyl ether using a municipal seed and an industrial seed, respectively, but additional test conditions were unavailable(2). Using a mixture of phenoxypropanols (85% propylene glycol phenyl ether and 15% 2-phenoxy-1-propanol) at an initial concentration of 420-500 mg/L with the Zahns-Wellens test in accordance with OECD guidelines, approximately 88% of the mixture biodegraded in 18 days of incubation using non-adapted microorganisms from a sewage plant as inoculum(3); using adapted sewage plant microorganism, approximately 85% of the mixture biodegraded in 11 days(3); using microorganisms isolated from the Elbe River, approximately 90% of the mixture biodegraded in 21 days(3).
Environmental Bioconcentration
An estimated BCF of 2.5 was calculated in fish for propylene glycol phenyl ether(SRC), using a log Kow of 1.50(1) and a regression-derived equation(2). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/Soil
The Henry's Law constant for propylene glycol phenyl ether is estimated as 2.9X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00218 mm Hg(1), and water solubility, 1.51X10+4 mg/L(2). This Henry's Law constant indicates that propylene glycol phenyl ether is expected to be essentially nonvolatile from water surfaces(3). Propylene glycol phenyl ether's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Propylene glycol phenyl ether enters the environment through evaporation from solvent or coating applications(4); therefore, it is expected to volatilize from dry soil surfaces(SRC).
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ Young adult male and female Wistar rats (5/sex/group) were administered single gavage doses of 1000 or 2000 mg/kg PPh in an olive oil vehicle ... Rats were observed for mortality and signs of toxicity for 14 days after administration of the test material. One male rat from the high dose group died on day 1; all remaining rats survived the 14-day observation period. Rats from the high dose group seemed to gain weight less rapidly than rats from the low dose group. Rats from both dose groups exhibited dyspnea, apathy, and poor general state. In the high dose group, additional symptoms included abnormal stance, staggering, atonia, paresis, absence of pain reflex, absence of corneal reflex, piloerection, and dehydration. Generally, these signs disappeared after the first day. At necropsy, the single rat that did not survive showed signs of "general congestion." At autopsy after the 14-day observation period, none of the 19 survivors exhibited any grossly observable lesions.
/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ ... PPh /was applied/ daily to the clipped dorsal skin of rabbits (5/sex/dose) at doses of 0, 100, 300, or 1000 mg PPh/kg body weight-day, 5 days/week, over a period of 4 weeks (total of 19 applications). The 0 control group was treated with approximately 1 mL/kg-d distilled water. PPh was applied uniformly over a 10 x 15 cm area of the back using a syringe with a blunt needle. The dose was covered with gauze, non-absorbent cotton, then an occlusive bandage, all held in place for 6 hours with a lycra/spandex jacket. After the 6-hour exposure period, the bandage was removed and the area washed clean of PPh with a water-dampened towel. Over the course of the study, rabbits were monitored for clinical signs of toxicity, body weight changes, alterations in hematology, clinical chemistry, or urinalysis, as well as variations in organ weights, and gross and microscopic pathology at autopsy. Specimens were collected from over 40 tissues and preserved from all animals. These tissues were examined microscopically from the high dose and control animals. All rabbits survived treatment with no changes in body weights and no overt signs of systemic toxicity. All subjects showed some dermal irritation at the site of PPh application, characterized by moderate exfoliation and hyperemia in the high dose group, slight exfoliation and transient hyperemia in the mid-dose group, and very slight exfoliation in the low dose group. No changes were noted in absolute or relative organ weights compared to controls. No consistent changes were noted in clinical laboratory studies other than a slight increase in platelet counts in males, which was statistically significant in high dose group and approached significance in mid-dose males. Females showed no platelet response to PPh exposure. Except for skin at the site of application, neither gross nor histopathological examination revealed any adverse changes related to PPh treatment when high dose subjects were compared to controls. In skin at the site of application, a thickening of the epidermis was detected that was considered to be an adaptive response.
/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ PPh applied dermally to the backs of rabbits for 6 hr/day, 5 days/wk over a 28-day period produced no systemic toxicity at dose levels up to 1000 mg/kg-day. This study established a NOAEL of 1000 mg/kg-day for subchronic dermal toxicity. The same NOAEL was established in a study in which the material was applied to clipped dorsal skin of 10 female rabbits for 14 consecutive days under occlusion for (what appeared to be) 24 hours
/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ /Wistar rat were treated for 90 days continuosly in drinking water 0, 500, 2000, and 6000 ppm/. No treatment related effects were observed at the lowest dose level (500 ppm). At 2000 ppm the only effects observed were a slight decrease in body weight (< 10%) and discoloration of urine. Those effects are not considered to be adverse. Hence, the NOAEL is 2000 ppm. /Mixture of 84.8% 1-phenoxy-propan-2-ol and 14.7% 2-phenoxy-propan-1-ol/
For more Non-Human Toxicity Excerpts (Complete) data for Propylene glycol phenyl ether (13 total), please visit the HSDB record page.
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of propylene glycol phenyl ether with photochemically-produced hydroxyl radicals has been estimated as 3.7X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 10 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Propylene glycol phenyl ether is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). Propylene glycol phenyl ether does not contain chromophores that absorb at wavelengths >290 nm(2) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
Regulatorische Informationen
TSCA Requirements
Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 1/26/94; Reporting date: 3/28/94.
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1-Phenoxy-2-propanol is included on this list. Effective date: 1/26/94; Sunset date: 12/19/95.
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29094990
- RTECS-Nr.
- UB8886500
- risk_code
- 36
- Toxizität
- LD50 orl-rat: 2830 mg/kg NTIS** OTS0539745
- hazard_code
- Xi
- safety_code
- 23-26
- Speicherklasse
- 10 - Combustible liquids
- Giftige Stoffe Daten
- 770-35-4(Hazardous Substances Data)
- Hazard Classifications
- Eye Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites
The following urinary metabolites were tentatively identified within Liquid Chromatography (LC) peaks using HPLC/ESI/MS and HPLC/ESI/MS/MS techniques: LC Peak A (<1%) - Glucuronide conjugate of hydroquinone LC Peak B (1-2%) - Not identified LC Peak C (1.3-3.8%) - Not identified LC Peak D (<1%) - Not identified LC Peak E/F (60-63%) - Sulfate and glutathione conjugates of phenol; Sulfate and glucuronide conjugates of PPh, sulfate conjugates of ring-hydroxylated PPh and 1- phenoxy-2-propanone LC Peak G (<1%) - Not identified LC Peak H (1-2%) - Not identified LC Peak I (4-5%) - Glucuronide conjugate of PPh LC Peak J (<1%) - Not identified LC Peak K (8-9%) - Glucuronide conjugate of PPh LC Peak L (9- 10%) - Sulfate conjugate of PPh Based on comparisons of chromatographic retention times with authentic materials, acid hydrolysis of urine yielded free phenol (61%), hydroquinone (1.5%), and parent PPh (13%).
PPh is rapidly absorbed, distributed, and quickly metabolized and eliminated in male rats. Virtually all the administered dose is eliminated within 48 hours in the urine and feces. The three major routes of metabolism are 1) cleavage of PPh by O-dealkylation, yielding propylene glycol and phenol, followed by excretion of phenol as a sulfate, or glutathione conjugate in the urine; 2) direct sulfate or glucuronide conjugation of parent PPh and excretion into the urine; and 3) ring hydroxylation of parent PPh or its oxidized propanone metabolite, followed by sulfate conjugation and excretion into the urine. Minor urinary metabolites included the glucuronide conjugate of hydroquinone.
Verwendung und Herstellung
Uses
Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as a solvent for paints, coatings, films, textile dyes and printing pastes, inks in ball point and felt tip pens, stamp pads, and paint removers, as a coalescent in water-based coatings and adhesives, and in cosmetics and soaps (possesses antibacterial properties); [OECD SIDS: Propylene Glycol Phenyl Ether - 2004]
Painting (Solvents) [Category: Paint]
Used extensively in dyeing applications, where it can function as both a dye solubilizer and as a dye carrier; Latex coalescent in water-based architectural and industrial coatings; Solvent for inks in ball point and felt tip pens, stamp pads, and textile printing pastes; Paint removers; Coalescent for latex adhesives; Useful in the formulation of homogeneous, stable metalworking fluids.
High-boiling solvent, bacterial agent, fixative for soaps and perfumes, intermediate for plasticizers.
A major use of propylene glycol phenyl ether is as a solvent that facilitates the mixing of aqueous and organic constituents in paints, coatings, and films. It is used as a latex coalescent in water-based architectural and industrial coatings and adhesives, a carrier solvent for textile dyes, a solvent for inks in ball point and felt tip pens, stamp pads, and textile printing pastes, and paint remover. Due to its antibacterial properties, it also is used in cosmetics and soaps.
Impurities
Propylene glycol phenyl ether has a minimum purity of 93%. At least 93% of commercial propylene glycol phenyl ether is comprised of a mixture of 1-phenoxy-propan-2-ol and 2-phenoxypropan- 1-ol, with the former isomer as the major constituent. The individual isomers are not separated nor produced as individual chemicals. The remaining 7% consists of up to 7% di-PPh, 0.1% phenol and 0.35% water. Of the 93% that is a mixture of the two isomers, 1-phenoxy-propan- 2-ol (CAS No. 770-35-4) constitutes > 85% of the mixture (is the thermodynamically favored isomer) and 2-phenoxy-propan-1-ol (CAS No. 4169-04-4) constitutes < 15%.
U.S. Production
2023: 10,000,000 - <50,000,000 lb
2-Propanol, 1-phenoxy- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).
Production volumes for non-confidential chemicals reported under the Inventory Update Rule.[Table#8163]
Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: 2-Propanol, 1-phenoxy-. Aggregated National Production Volume: 10 to < 50 million pounds.
Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 2-Propanol, 1-phenoxy-. National Production Volume: 208,306 pounds lb/yr.
Use Classification
EPA Safer Chemical Functional Use Classes -> Specialized Industrial Chemicals
Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
Cosmetics -> Preservative; Solvent
General Manufacturing Information
Paint and Coating Manufacturing
2-Propanol, 1-phenoxy-: ACTIVE
Anwendungen
Verwenden1-Phenoxy-2-propanol is a useful synthetic intermediate. It was used in the preparation of acylarylthiocarbamates as nonnucleoside reverse transcriptase inhibitors.
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DefinitionColorless liquid.Combustible.
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