Results for:
PubChem ID: 20083

Octan-2-ol

Mass-Spectra

Compound Details

Synonymous names
Ethylpentylcarbinol
Hexylmethylcarbinol
Methylhexylcarbinol
secondary Caprylic alcohol
SJWFXCIHNDVPSH-UHFFFAOYSA-N
METHYL-n-HEXYLCARBINOL
Secondary octyl alcohol
1-Methylheptanol
Hexyl methyl carbinol
Methyl hexyl carbinol
sec-Caprylic alcohol
sec-Octanol
2-Hydroxyoctane
beta-Octyl alcohol
Caprylic alcohol, secondary
1-Methylheptyl alcohol
AC1Q2VTA
AC1Q2VTB
sec-OCTYL ALCOHOL
Methylheptanol (Related)
n-Hexyl methyl carbinol
s-Octyl alcohol
2-OCTANOL
OCTANOL-2
2-Octyl alcohol
AC1L2FI8
Heptanol, methyl-
DL-2-Octanol
I931
KSC154M8L
2-Hydroxy-n-octane
5683AB
ACMC-209aqc
ACMC-209mfq
Octan-2-ol
PubChem21480
SCHEMBL23502
.beta.-Octyl alcohol
CTK0F4685
O0037
Z6063
1-Methyl-1-heptanol
ACMC-2097iv
CHEMBL510068
NE10338
NSC14759
RL01090
VC30529
VC30989
HSDB 5601
n-Octan-2-ol
1-Heptanol, methyl-
2-Octanol (natural)
AK113715
DTXSID0027014
FEMA Number 2801
LP003934
LS-2997
SBB059903
STL280339
A833372
CHEBI:37869
DSSTox_CID_7014
sec-Octanol (9CI)
2-Octanol, >=97%
AN-21141
AN-21193
AN-22934
ANW-18178
DSSTox_GSID_27014
LS-98140
NSC 14759
NSC-14759
SC-47133
ST2419761
TRA0071798
(??)-2-Octanol
2-Octanol (S)
2-Octanol, 97%
ACN-S002381
DSSTox_RID_78280
LMFA05000620
MFCD00004591
AI3-05598
KB-259106
RTR-003734
TR-003734
AKOS009031442
I01-1915
I14-5861
J-005013
J-520411
W-109952
4CH-016504
FEMA No. 2801
FT-0604459
FT-0605149
FT-0605256
FT-0613242
I14-45236
(-)-2-OCTANOL
(+)-2 octanol
EN300-19344
Tox21_201625
Tox21_303347
123-96-6
2-Octanol, for synthesis, 99%
(1)-Octan-2-ol
1336-11-4
2-Octanol, (R)-
2-Octanol, (S)-
4128-31-8
MCULE-5095200181
NCGC00249087-01
NCGC00257394-01
NCGC00259174-01
2-Octanol (+-)
CAS-123-96-6
EINECS 204-667-0
EINECS 223-938-4
2-Octanol, (2R)-
25339-16-6
2-Octanol, natural, >=97%, FG
113244-40-9
(+/-)-2-Octanol
MolPort-001-779-759
2-Octanol, Vetec(TM) reagent grade, 97%
(+/-)-2-Octanol, analytical standard
(+/-)-Octan-2-ol
2-Octanol, (.+/-.)-
(+/-)-2-Octanol, >=96.0% (GC)
(+/-)-2-Octanol, ReagentPlus(R), >=99.5% (GC)
123-96-6 pound>>4128-31-8 pound>>113244-40-9
Microorganism:

Yes

IUPAC nameoctan-2-ol
SMILESCCCCCCC(C)O
InchiInChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
FormulaC8H18O
PubChem ID20083
Molweight130.231
LogP2.56
Atoms27
Bonds26
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for 2-octanol is reported as 3.23X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 2-octanol is expected to volatilize from water surfaces(2). 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)(2) is estimated as 34 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 14 days(SRC). 2-Octanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Octanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.242 mm Hg(3).
Literature: (1) Yaws CL et al; Waste Manag 17:541-7 (1997) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; Handbook Chem. Compd. Data Process Saf., Houston, TX: Gulf Publishing pp. 27-53 (1997)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2-octanol can be estimated to be 32(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-octanol is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 12, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.42X10-1 mm Hg at 25 deg CYaws CL; Handbook Chem. Compd. Data Process Saf., Houston, TX: Gulf Publishing pp. 27-53 (1997)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS