1-プロポキシ-2-プロパノール

1-Propoxy-2-propanol

HCID 15286CAS 1569-01-3

基本情報

標準SMILES
CCCOCC(C)O
InChIKey
FENFUOGYJVOCRY-UHFFFAOYSA-N
分子式
C6H14O2
平均分子量
118.17 g/mol
単同位体質量
118.09937969

名称と識別子

優先名称
1-Propoxy-2-propanol
IUPAC
1-propoxypropan-2-ol
現地名
1-プロポキシ-2-プロパノール
英語名
1-PROPOXY-2-PROPANOL
分子式
C6H14O2
分子量
118.17

名称と別名

1-PROPOXY-2-PROPANOL1569-01-31-Propoxypropan-2-ol2-Propanol, 1-Propoxy-PROPASOL Solvent PPropylene glycol n-propyl etherDTXSID5029217Propylene glycol-n-monopropyl ether152BY1743WDTXCID409217RefChem:77183216-372-4
名称をさらに表示
1-プロポキシ-2-プロパノールα-プロピレングリコールα-プロピルエーテルプロピレングリコールモノプロピルエーテル1-プロポキシ-2-プロパノール (2-イソプロポキシ-1-プロパノール含む)プロピレングリコールモノプロピルエーテル (2-イソプロポキシ-1-プロパノール含む)1-プロポキシ-2-プロパノ?ル1‐プロポキシ‐2‐プロパノール(異性体混合物)プロピレングリコールモノプロピルエーテル (異性体混合物)プロピレングリコールプロピルエーテル1-プロポキシプロパン-2-オール1-プロポキシ-2-プロパノール(異性体混合物)PNPPROPYLENE GLYCOL PROPYL ETHERPROPYLENE GLYCOL MONOPROPYL ETHER1-propoxy-2-propanoPPGEDOWANOL? PnPArcosolv PNPDOWANOL(R) PnP
1-Propoxy-2-propanol (contains 2-Isopropoxy-1-propanol)MFCD001924202-Propanol, propoxy-CAS-1569-01-3HSDB 6482EINECS 216-372-4BRN 1732636UNII-152BY1743W

データベース識別子

CAS
1569-01-3
PubChem CID
15286
DTXSID
DTXSID5029217
ChEMBL
CHEMBL1487817
UNII
152BY1743W
EC Number
216-372-4
Nikkaji
J13.129F

物性

構造計算による物性

XLogP
0.7
極性表面積
29.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
4
重原子数
8

実験および物理化学的性質

SolventsSolvents -> Glycol Ethers (P Series)
CosmeticsSolvent
FragrancesFragrance Ingredient (1-Propoxypropan-2-ol) -> IFRA transparency List
Density0.8886 g/cu cm at 20 °C
SolubilityMiscible with water
Flash Point48 °C (118 °F) - closed cup

物理化学的性質

融点
-80 °C · -80°C
沸点
140 · 140-160 °C(lit.)
比重(密度)
0.885 g/mL · 0.885 g/mL at 25 °C(lit.)
蒸気圧
3.8 hPa · 3.8hPa at 25℃
屈折率
20 · n20/D 1.411(lit.)
闪点
119 °F · 119 °F

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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

危険有害性情報

Regulatory Information · 4 件

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

Other Safety InformationIMAP assessments - 2-Propanol, 1-propoxy-: Human health tier I assessment
Hazards SummaryAnimal studies: high concentrations cause irritation and CNS depression; [RTECS] An irritant; [MSDSonline] See GLYCOL ETHERS.
EPA Safer ChemicalChemical: 1-Propoxy-2-propanol
Toxic Combustion ProductsSpecial hazards arising from the substance or mixture: Carbon oxides.
Hazard Classes and Categories · 2 件

Flam. Liq. 3 (99%)

Flammable liquids - Category 3

安全と保護具

Fire Fighting Procedures · 2 件

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.

Storage ConditionsConditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Cleanup Methods · 1 件

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 · 2 件

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 · 4 件

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) · 4 件

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).

毒性情報

Environmental Fate · 3 件

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).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity Summary · 1 件

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 · 1 件

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 件

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 · 1 件

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.

安全データ

wgk
2
tsca
TSCA listed
rtecs
UB9351000
ridadr
UN 3271 3/PG 3
hs_code
29094990
risk_code
10-36/37/38

化学と産業

用途と製造

Uses · 3 件

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 · 3 件

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.

Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesAbrasives
Household ProductsInformation on 73 consumer products that contain 1-Propoxy-2-propanol in the following categories is provided:
Use Classification · 4 件

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

応用分野

用途塗料?クリーナー?インキなどの溶剤

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関連反応

1 件

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