Results for:
PubChem ID: 20083

Octan-2-ol

Mass-Spectra

Compound Details

Synonymous names
2-OCTANOL
Octan-2-ol
123-96-6
2-Octyl alcohol
Hexylmethylcarbinol
4128-31-8
2-Hydroxyoctane
1-Methylheptanol
sec-Caprylic alcohol
Methylhexylcarbinol
1-Methylheptyl alcohol
DL-2-Octanol
n-Octan-2-ol
s-Octyl alcohol
(+/-)-2-Octanol
1-Methyl-1-heptanol
sec-Octanol
Hexyl methyl carbinol
2-Hydroxy-n-octane
sec-OCTYL ALCOHOL
beta-Octyl alcohol
secondary Caprylic alcohol
Methyl hexyl carbinol
.beta.-Octyl alcohol
FEMA No. 2801
L(-)-2-Octanol
OCTANOL-2
NSC 14759
(rs)-2-octanol
MFCD00004591
2-Octanol, (2R)-
2-Octanol, (A+/-)-
DTXSID0027014
2-Octanol, (.+/-.)-
CHEBI:37869
66B0DD5E40
NSC-14759
D(+)-2-Octanol
Heptanol, methyl-
25339-16-6
4128-32-9
DTXCID607014
2-Octanol (natural)
Secondary octyl alcohol
FEMA Number 2801
Caprylic alcohol, secondary
r-(-)-2-octanol
CAS-123-96-6
HSDB 5601
(1)-Octan-2-ol
2-Octanol (+-)
EINECS 204-667-0
EINECS 223-938-4
UNII-66B0DD5E40
AI3-05598
Ethylpentylcarbinol
?DL-2-Octanol
(racemic)-2-octanol
(+)-2 octanol
2-Octanol, 97%
(+/-)-Octan-2-ol
2-OCTANOL [FHFI]
2-OCTANOL [HSDB]
2-OCTANOL [MI]
2-Octanol, >=97%
EC 204-667-0
DL-METHYLHEXYLCARBINOL
SCHEMBL23502
CHEMBL510068
2-Octanol, for synthesis, 99%
L-Octan-2-ol; (R)-2-Octanol
NSC14759
Tox21_201625
Tox21_303347
2-Octanol, natural, >=97%, FG
BBL100094
LMFA05000620
STL280339
AKOS009031442
CS-W011107
MCULE-5095200181
SB44843
(+/-)-2-Octanol, analytical standard
Ammonium salt of aurin tricarboxylic acid
NCGC00249087-01
NCGC00257394-01
NCGC00259174-01
(S)-2-Octanol;?(S)-(+)-2-Octanol
BS-14738
SY038272
2-Octanol, Vetec(TM) reagent grade, 97%
DB-053462
DB-053968
NS00004326
O0037
EN300-19344
(+/-)-2-Octanol, >=96.0% (GC)
D71187
J-005013
J-520411
W-109952
Q10844270
(+/-)-2-Octanol, ReagentPlus(R), >=99.5% (GC)
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
Molweight130.23
LogP2.9
Atoms9
Bonds5
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID37869
Supernatural-IDSN0347499

mVOC Specific Details

Boiling Point
DegreeReference
179 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaChaetomium Globosumwild strainsSchleibinger et al. 2005
ProkaryotaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
ProkaryotaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.NAGu et al. 2007
EukaryotaAspergillus Flavusn/aNABeck et al. 2012
EukaryotaAspergillus Parasiticusn/aNABeck et al. 2012
EukaryotaAspergillus Nigern/aNABeck et al. 2012
EukaryotaPenicillium Glabrumn/aNABeck et al. 2012
EukaryotaRhizopus Stolonifern/aNABeck et al. 2012
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Bacillus ToyonensisKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaChaetomium Globosumingrain (woodchip)SIM/GCMS / Tenaxno
ProkaryotaBacillus Simplexn/an/ano
ProkaryotaBacillus Subtilisn/an/ano
ProkaryotaBacillus Weihenstephanensisn/an/ano
ProkaryotaMicrobacterium Oxydansn/an/ano
ProkaryotaStenotrophomonas Maltophilian/an/ano
ProkaryotaStreptomyces Lateritiusn/an/ano
ProkaryotaSerratia Marcescensn/an/ano
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
Bacillus Toyonensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno