기본 정보
- 표준 SMILES
CCCOCC(C)O- InChIKey
FENFUOGYJVOCRY-UHFFFAOYSA-N- 분자식
- C6H14O2
- 평균 분자량
- 118.17 g/mol
- 단동위원소 질량
- 118.09937969
이름 및 식별자
- 우선 이름
- 1-Propoxy-2-propanol
- IUPAC
- 1-propoxypropan-2-ol
- 현지명
- 1-프로폭시-2-프로판올
- 영어명
- 1-PROPOXY-2-PROPANOL
- 분자식
- C6H14O2
- 분자량
- 118.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1569-01-3- PubChem CID
- 15286
- DTXSID
DTXSID5029217- ChEMBL
CHEMBL1487817- UNII
- 152BY1743W
- EC Number
- 216-372-4
- Nikkaji
- J13.129F
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 45.8
실험 및 물리화학적 성질
Vapor Pressure
1.7 [mmHg]
2.2125 mm Hg at 25 °C
Physical Description
CBI; Liquid
Colorless liquid with a mild odor of ether; Hygroscopic; [CHEMINFO]
물리화학적 성질
- 녹는점
- -80 °C · -80°C
- 끓는 점
- 140 · 140-160 °C(lit.)
- 밀도
- 0.885 g/mL · 0.885 g/mL at 25 °C(lit.)
- 증기압
- 3.8 hPa · 3.8hPa at 25℃
- 굴절률
- 20 · n20/D 1.411(lit.)
- 인화점
- 119 °F · 119 °F
- 수용성
- Completely soluble in water
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 14.5 · 14.50±0.20(Predicted)
- 색상
- 무색 내지 거의 무색
- Henry's Law Constant
- 2.9 · 2.9×102 mol/(m3Pa) at 25℃, HSDB (2015)
- 화장품 원료 기능
- 용제
- InChI
- InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3
- InChIKey
- FENFUOGYJVOCRY-UHFFFAOYSA-N
- SMILES
- C(OCCC)C(O)C
- LogP
- 0.621 at · 0.621 at 20℃
- EPA
- 1 · 1-Propoxy-2-propanol (1569-01-3)
화학적 성질
Clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (8 of 2953) of reports.
Warning
H226 (99%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2953 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: 2-Propanol, 1-propoxy-
2-Propanol, 1-propoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-propoxy- 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: 13-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2020
2-Propanol, 1-propoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (99%)
Flammable liquids - Category 3
안전 및 보호
Fire Fighting Procedures
Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.
Cleanup Methods
ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas.; Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains.; Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.
Disposal Methods
SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.
Product: Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging: Dispose of as unused product.
Preventive Measures
Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge.
Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.
Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.
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.
Personal Protective Equipment (PPE)
Eye/face protection: Face shield and safety glasses. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection: Handle with gloves.
Body Protection: Impervious clothing. Flame retardant antistatic protective clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
독성 정보
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2(SRC), determined from a structure estimation method(2), indicates that 1-propoxy-2-propanol is expected to have very high mobility in soil(SRC). Volatilization of 1-propoxy-2-propanol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.4X10-7 atm-cu m/mole(SRC), based upon its vapor pressure, 2.21 mm Hg(3), and assigned value for water solubility of 1X10+6 mg/L (miscible)(3). 1-Propoxy-2-propanol is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). A biodegradation half-life of 10.5 days using OECD 301A guidelines(3) and a 64% of theoretical BOD reached after 20 days in an APHA method test(3) suggest that biodegradation is an important environmental fate process in soil(SRC).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2(SRC), determined from a structure estimation method(2), indicates that 1-propoxy-2-propanol 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 3.4X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 2.21 mm Hg(4), and assigned value for water solubility of 1X10+6 mg/L (miscible)(4). 1-Propoxy-2-propanol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 0.49(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A biodegradation half-life of 10.5 days using OECD 301A guidelines(4) and a 64% of theoretical BOD reached after 20 days in an APHA method test(4) suggest that biodegradation is an important environmental fate process in water(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-propoxy-2-propanol, which has a vapor pressure of 2.21 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-propoxy-2-propanol 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 15 hours(SRC), calculated from its rate constant of 2.6X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 1-Propoxy-2-propanol 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).
Toxicity Summary
IDENTIFICATION AND USE: 1-PROPOXY-2-PROPANOL is used in coatings, cleaners, inks. HUMAN EXPOSURE AND TOXICITY: No data. ANIMAL STUDIES: Instillation of 0.1, 0.01, or 0.005 mL into the eyes of rabbits caused severe conjunctivitis and diffusely mild corneal injury, requiring 3-14 days for complete resolution. Inhalation of substantially saturated vapor evolved at room temperature under may result in severe loss of coordination and anesthesia in rats. The test material has low acute oral toxicity. Following acute covered dermal application in rabbits, clinical signs included erythema, edema, ecchymosis, desquamation, anesthesia and eye irritation. Gross pathology revealed congested lungs, mottled livers and pale kidneys. In rats there were no treatment-related visceral or skeletal malformations, anomalies or variations with the exceptions of reduced ossification of hindlimb phalanges in litters of the 1500 ppm group observed in the presence of maternal toxicity. In rabbits maternal toxicity observed at 1500 ppm was evidenced by significant mortality (27.3%), reduction in weight gain and food and water consumption. Gestational parameters exhibited no significant changes, including the number of corpora lutea, total nonviable and viable implantations/litter, sex ratio, pre or postimplantation loss, and fetal body weights. No treatment-related visceral or skeletal malformations, anomalies or variations were observed. The chemical was negative in the genotoxicity testing using Salmonella typhimurium tester strains TA98, TA100, TA1535, and TA1537 and Escherichia coli tester strain WP2ucrA. The concentrations of the test material assay ranged from 100 to 5000 ug/plate. It was also was considered to be negative in the in vitro chromosomal aberration assay utilizing rat lymphocytes.
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; Click on the "Chemical Explorer" button on the tool bar to see the data./[USEPA; ICSS Dashboard Application; Available from, as of April 22, 2015: http://actor.epa.gov/dashboard/]
Effluent Concentrations
1-Propoxy-2-propanol was tentatively and qualitatively detected in 1 (Dallas, TX, Nov 1974) of 16 samples of concentrate derived from large volume (>400 gallons) samples collected from 6 cities(1). 1-Propoxy-2-propanol was detected in volatiles given off of adhesive removers(2).
Soil Adsorption/Mobility
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1-propoxy-2-propanol can be estimated to be 2(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-propoxy-2-propanol is expected to have very high mobility in soil.
Environmental Biodegradation
AEROBIC: 1-Propoxy-2-propanol was reported to have a half-life of 10.5 days in an OECD 301A guideline test with a 92% DOC removal(1). In a biodegradation test using an APHA method with 1-propoxy-2-propanol, 64% of the theoretical BOD was reached after 20 days(1).
Environmental Bioconcentration
An estimated BCF of 3 was calculated in fish for 1-propoxy-2-propanol(SRC), using an estimated log Kow of 0.49(1) and a regression-derived equation(1). 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 1-propoxy-2-propanol is estimated as 3.4X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 2.21 mm Hg(1), and assigned value for water solubility of 1X10+6 mg/L (miscible)(1). This Henry's Law constant indicates that 1-propoxy-2-propanol is expected to be essentially nonvolatile from water and moist soil surfaces(2). The potential for volatilization of 1-propoxy-2-propanol from dry soil surfaces may exist based upon its vapor pressure(1).
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ Three groups of 5 male and 5 female Sprague-Dawley albino rats received by stomach intubation with a ball-end stainless steel needle dose levels of 8, 4, 2 mL/kg bw and 4, 2, 1 mL/kg bw, respectively. The LD50 for male rats receiving peroral doses of PROPASOL Solvent P was 4.92 mL/kg bw; that for females was 2.83 mL/kg bw. Signs of toxicity included sluggishness, unsteady gait, lacrimation, tremors (in one) and prostration. Most death occured at 1.5 hours to 3 days. One female succumbed at 6 days. Survivors recovered at 1 to 4 days. At necropsy, there were red lungs, liquid-filled stomachs, one red stomach (glandular section) and one small kidney.
/LABORATORY ANIMALS: Acute Exposure/ Six male rats were exposed for four hours to vapors of propylene glycol propyl ether (PnP) at a nominal concentration of 1725 ppm. This was the highest concentration attainable at room temperature (25 °C). Simultaneously, 6 male rats (serving as controls) were housed in a chamber supplied with clean, filtered air. Animals exposed to the test material appeared to be slightly lethargic during exposure. Mean body weights of exposed animals were comparable to control values throughout the two week observation period and each animal appeared to be within normal health limits. No mortality was encountered in association with exposure to this test material. ... A slight sedative effect may occur however, with prolonged exposure to saturated atmospheres.
/LABORATORY ANIMALS: Acute Exposure/ Six rats were exposed for 8 hours substantially saturated vapor of PROPASOL Solvent P at room temperature. ... Clinical signs included poor coordination and anesthesia. All animals recovered after 18 hours. Inhalation of substantially saturated vapor evolved at room temperature under normal handling conditions should be avoided as it may result in severe loss of coordination and anesthesia.
/LABORATORY ANIMALS: Acute Exposure/ Two groups of 2 rats received an oral dose of 2.0 g/kg and 3.98 g/kg (20% solution in corn oil), respectively. Both rats receiving the lower dose survived. The only observed effect was some kidney damage. Both rats receiving the higher dose died overnight. Animals were depressed within an hour after feeding. The test material, propylene glycol propyl ether has low acute oral toxicity.
For more Non-Human Toxicity Excerpts (Complete) data for 1-PROPOXY-2-PROPANOL (16 total), please visit the HSDB record page.
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of 1-propoxy-2-propanol with photochemically-produced hydroxyl radicals has been estimated as 2.6X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 15 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 1-Propoxy-2-propanol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 1-Propoxy-2-propanol does not contain chromophores that absorb at wavelengths >290 nm(3) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UB9351000
- ridadr
- UN 3271 3/PG 3
- HS 번호
- 29094990
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 16-26-36
- 포장분류
- III
- 위험 등급
- 3.2
- 기존화학 물질
- KE-29773
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 1569-01-3(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used to make cleaning products, as a grease and paint remover, and as a solvent to replace the more toxic ethylene glycol monobutyl ether; [CHEMINFO]
Metal Degreasing [Category: Clean]
Commercial End Products: Coatings, cleaners, inks. /From table/
U.S. Production
2023: 10,000,000 - <25,000,000 lb
2-Propanol, 1-propoxy- 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).
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-propoxy-. National Production Volume: 22,212,134 lb/yr.
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Fragrance Ingredients
Cosmetics -> Solvent
General Manufacturing Information
Printing Ink Manufacturing
2-Propanol, 1-propoxy-: ACTIVE
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