Results for:
PubChem ID: 7745

2-methylpentan-1-ol

Mass-Spectra

Compound Details

Synonymous names
2-METHYL-1-PENTANOL
2-Methylpentan-1-ol
105-30-6
1-Pentanol, 2-methyl-
2-Methylpentanol
2-Methylpentanol-1
sec-Amyl carbinol
(+-)-2-Methylpentanol
2-MPOH
2-Methyl-2-propylethanol
M.I.B.C.
DTXSID9026714
U8933MB30H
NSC-6250
17092-54-5
2-Methylamyl Alcohol
Amyl methyl alcohol
(+-)-2-Methyl-1-pentanol
HSDB 2890
(2S)-2-methylpentan-1-ol
NSC 6250
EINECS 203-285-1
BRN 1718974
UNII-U8933MB30H
AI3-21997
2-Propylpropanol
Methyl-2 pentanol-1
2-methylpentyl alcohol
1,3-Dimethyl butanol
2-methyl-1 -pentanol
2-methyl-pentan-1-ol
Isopropyl dimethyl carbinol
SCHEMBL22659
3-01-00-01665 (Beilstein Handbook Reference)
MLS001061197
2-Methyl-1-pentanol, 99%
?2-METHYL-1-PENTANOL
DTXCID906714
CHEMBL1569610
WLN: Q1Y3&1
NSC6250
HMS3039F16
Tox21_200753
2-METHYL-1-PENTANOL [HSDB]
MFCD00004745
2-METHYLPENTANOL, (+/-)-
AKOS009157776
MCULE-9777250826
NCGC00090959-01
NCGC00090959-02
NCGC00258307-01
BS-22928
CAS-105-30-6
SMR000677936
2-METHYL-1-PENTANOL, (+/-)-
M0192
NS00021471
EN300-107778
J-001381
Q3278308
17092-42-1
Microorganism:

Yes

IUPAC name2-methylpentan-1-ol
SMILESCCCC(C)CO
InchiInChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3
FormulaC6H14O
PubChem ID7745
Molweight102.17
LogP1.8
Atoms7
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
Supernatural-IDSN0284044

mVOC Specific Details

Boiling Point
DegreeReference
148 °C peer reviewed
Volatilization
The Henry's Law constant for 2-methyl-1-pentanol is estimated as 4.3X10-5 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 1.92 mm Hg at 25 deg C(1), and water solubility, 6000 mg/L at 25 deg C(2). This value indicates that 2-methyl-1-pentanol will volatilize from water surfaces(3,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 24 hours(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 10 days(3,SRC). 2-Methyl-1-pentanol's vapor pressure(1) and Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil surfaces may occur(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY,NY: Hemisphere Publ Corp 4 Vol (1987) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. College of Pharmacy, Univ Arizona-Tucson, AZ. PC Version (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
SOL IN ALCOHOL; ETHER; ACETONE
Literature: Weast, R.C. (ed.). Handbook of Chemistry and Physics. 57th ed. Cleveland: CRC Press Inc., 1976., p. C-420
Literature: #0.31% BY WEIGHT IN WATER
Literature: Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 777
Literature: #Water solubility = 6000 mg/L @ 25 deg C.
Literature: Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. College of Pharmacy, University of Arizona-Tucson, AZ. PC Version (1992)
Soil Adsorption
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).
Literature: (1) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. College of Pharmacy, Univ Arizona-Tucson, AZ. PC Version (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
1.92 mm Hg @ 25 deg C /from experimentally-derived coefficients/Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansTSBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
EukaryotaTuber Indicumn/an/ano
EukaryotaCryptococcus Nemorosusliquid YPD mediumGC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno