2-메틸-1-펜탄올

2-Methyl-1-pentanol

HCID 7745CAS 105-30-6

기본 정보

표준 SMILES
CCCC(C)CO
InChIKey
PFNHSEQQEPMLNI-UHFFFAOYSA-N
분자식
C6H14O
평균 분자량
102.17 g/mol
단동위원소 질량
102.10446507

개요

2-methyl-1-pentanol has been reported in Nepeta nepetella and Patrinia villosa with data available.

이름 및 식별자

우선 이름
2-Methyl-1-pentanol
IUPAC
2-methylpentan-1-ol
현지명
2-메틸-1-펜탄올
영어명
2-METHYL-1-PENTANOL
분자식
C6H14O
분자량
102.17

이름 및 동의어

2-METHYL-1-PENTANOL2-Methylpentan-1-ol105-30-61-Pentanol, 2-methyl-2-Methylpentanol-1sec-Amyl carbinol2-MPOHAmyl methyl alcoholDTXSID9026714U8933MB30HNSC-6250DTXCID906714
이름 더 보기
2-메틸-1-펜탄올2-methyl-pentan-1-ol2-Methyl-1-pensec-amylcarbinol2-PROPYLPROPANOL2-methyl-1-pentano2-Methyl-1-penmnol
RefChem:1063644203-285-1Isohexyl alcohol2-Methylpentanol(+-)-2-Methylpentanol2-Methyl-2-propylethanolMFCD000047452-Methylamyl Alcohol

데이터베이스 식별자

CAS
105-30-6
PubChem CID
7745
DTXSID
DTXSID9026714
ChEMBL
CHEMBL1569610
UNII
U8933MB30H
EC Number
203-285-1
Nikkaji
J49.947A

물성

구조 계산 물성

XLogP
1.8
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
7

실험 및 물리화학적 성질

SolventsSolvents -> Alcohols (<C12)
Density · 2건

0.8263 @ 20 °C/4 °C

0.804 @25 °C

Color/FormCOLORLESS LIQUID
Solubility · 3건

SOL IN ALCOHOL; ETHER; ACETONE

0.31% BY WEIGHT IN WATER

Water solubility = 6000 mg/L @ 25 °C.

Flash Point · 2건

54 °C

129 °F (54 °C) (CLOSED CUP)

Boiling Point · 2건

148 °C @ 760 MM HG

130 °C @760 [mm Hg]

물리화학적 성질

녹는점
-48.42 °C · -48.42°C (estimate)
끓는 점
148 °C · 148 °C(lit.)
밀도
0.824 g/mL · 0.824 g/mL at 25 °C(lit.)
증기 밀도
3.5 · 3.5 (vs air)
증기압
1.5 mm · 1.5 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.418(lit.)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (54.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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 74 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1-Pentanol, 2-methyl-

2-methyl-1-pentanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Fire PotentialCOMBUSTIBLE
Hazards SummaryA skin, eye, nose, and throat irritant; [CHEMINFO] An irritant; May cause serious injury to eyes; [MSDSonline]
DOT Emergency Guidelines · 5건

/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Hexanols/

/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Hexanols/

/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Hexanols/

/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Hexanols/

For more DOT Emergency Guidelines (Complete) data for 2-METHYL-1-PENTANOL (8 total), please visit the HSDB record page.

NFPA Hazard Classification · 3건

0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.

2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.

0 - Materials that in themselves are normally stable, even under fire conditions.

안전 및 보호

Storage Conditions · 1건

MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMPOSE INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL WELL VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED...

Disposal Methods · 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Protective Action Criteria (PAC) · 3건

4.2 [mg/m3]

47 [mg/m3]

280 [mg/m3]

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 37(SRC), determined from a measured water solubility(2) and a recommended regression-derived equation(3), indicates that 2-methyl-1-pentanol will have very high mobility in soil(SRC). Biodegradation of this compound should be an important fate process(SRC). 2-Methyl-1-pentanol, at 2.0 mg of carbon/L, was inoculated with domestic sewage; 18, 55, 62 and 54% of the theorectical BOD was produced on day 2, 5, 20, and 30, respectively(4). Volatilization of 2-methyl-1-pentanol may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 4.3X10-5 atm-cu m/mole(2,5,SRC), and from dry soil surfaces(SRC) based on a vapor pressure of 1.92 mm Hg at 25 °C, determined from experimentally-derived coefficients(5,SRC).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 37(SRC), determined from a measured water solubility(2) and a recommended regression-derived equation(3), indicates that 2-methyl-1-pentanol will not adsorb to suspended solids and sediment(SRC) in the water. Biodegradation of this compound should be an important fate process(SRC). 2-Methyl-1-pentanol, at 2.0 mg of carbon/L, was inoculated with domestic sewage; 18, 55, 62 and 54% of the theorectical BOD was produced on day 2, 5, 20, and 30, respectively(4). 2-Methyl-1-pentanol should volatilize from water surfaces based on an estimated Henry's Law constant of 4.3X10-5 atm-cu m/mole(SRC), calculated from experimental values for water solubility(2) and vapor pressure(5). Estimated half-lives for a model river and model lake are 1 and 10 days, respectively(3,SRC). An estimated BCF value of 5(3,SRC), calculated from the water solubility(2), suggests that 2-methyl-1-pentanol will not bioconcentrate in aquatic organisms(SRC), according to a recommended classification scheme(6).

ATMOSPHERIC FATE: According to a suggested classification scheme(1), a vapor pressure of 1.92 mm Hg at 25 °C(SRC), determined from experimentally-derived coefficients(2), indicates that 2-methyl-1-pentanol will mainly exist in the vapor phase in the ambient atmosphere. Vapor-phase 2-methyl-1-pentanol 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 1 day(3,SRC).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Effluent Concentrations2-Methyl-1-pentanol was detected in 1 of 7 mixed household waste air samples and in 0 of 4 biodegradable waste air samples at unreported concentrations (at least 3 times the concentration found in control air samples)(1).
Soil Adsorption/Mobility · 1건

The Koc of 2-methyl-1-pentanol is estimated as approximately 37(SRC), using a measured water solubility of 6000 mg/L(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 2-methyl-1-pentanol has very high mobility in soil(SRC).

Artificial Pollution Sources2-Methyl-1-pentanol's production and use as a solvent extender and solution viscosity reducer(1) may result in its release to the environment through various waste streams(SRC).
Environmental Biodegradation · 1건

2-Methyl-1-pentanol, at 2.0 mg of carbon/L, was inoculated with domestic sewage and the BOD measured; 18, 55, 62 and 54% of the theorectical BOD was produced on day 2, 5, 20, and 30, respectively, indicating that this compound is readily degraded(1).

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SA7175000
ridadr
UN 1987 3/PG 3
독성
LD50 orl-rat: 1410 mg/kg AMIHBC 10,61,54
HS 번호
2905.14.5010

화학 및 산업

용도 및 제조

Uses · 3건

Used as a solvent; as a solvent extender and solution viscosity reducer; [HSDB] Used as a chemical intermediate for plastics and other organic compounds; [CHEMINFO]

Solvent, intermediate

Useful as a solvent extender and solution viscosity reducer.

U.S. Production · 3건

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS

(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS

About 900 tons of 2-methyl-1-pentanol was produced in 1990.

Methods of Manufacturing · 2건

2-Methyl-1-pentanol is prepared by aldol condensation of propionaldehyde and subsequent hydrogenation of the intermediate 2-methyl-2-pentenal.

2-Methylvaleraldehyde (hydrogenation)

General Manufacturing Information · 2건

1-Pentanol, 2-methyl-: ACTIVE

Because of its branching, 2-methyl-1-pentanol exhibits lower evaporation rates and lower volatility than 1-pentanol or "primary amyl alcohol", making 2-methyl-1-pentanol.

응용 분야 · 2건

용도Solvent, intermediate.

일반 설명Nonaqueous lipase-catalyzed kinetic resolution of racemic 2-methyl-1-pentanol in a continuously operated fixed bed reactor has been reported. Molar excess enthalpies of binary mixtures of 2-methyl-1-pentanol with n-hexane and its isomers has been measured in a flow microcalorimeter.

제조 방법

생산 방법2-Methyl-1-pentanol is prepared by the aldol condensation of propionaldehyde and subsequent hydrogenation of the intermediate 2-methyl-2-pentanol. Commercially, the methyl- 1-pentanols are rarely used alone but as amixture.

관련 반응

21건

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