Results for:
PubChem ID: 957

Octan-1-ol

Mass-Spectra

Compound Details

Synonymous names
1-octanol
Octan-1-ol
octanol
111-87-5
N-octanol
Octyl alcohol
Capryl alcohol
caprylic alcohol
n-Octyl alcohol
Heptyl carbinol
1-Hydroxyoctane
Primary octyl alcohol
Alcohol C-8
n-Octan-1-ol
Octilin
Alfol 8
Sipol L8
Lorol 20
Dytol M-83
n-Caprylic alcohol
1-Octyl alcohol
n-Heptyl carbinol
EPAL 8
octyl-alcohol
N-octyl-alcohol
Octyl alcohol, normal-primary
Lorol C 8-98
FEMA No. 2800
n-Capryl alcohol
NSC 9823
1-Oktanol
Alcohol C8
Prim-n-octyl alcohol
68603-15-6
Emery 3322
Emery 3324
MFCD00002988
DTXSID7021940
CHEBI:16188
NSC-9823
NV1779205D
C8 alcohol
DTXCID101940
78510-02-8
Octyl alcohol, primary
Caswell No. 611A
Octyl alcohol (natural)
FEMA Number 2800
CAS-111-87-5
OC9
CCRIS 9099
HSDB 700
Octanol (all isomers)
EINECS 203-917-6
EPA Pesticide Chemical Code 079037
octylalcohol
caprylyl alcohol
AI3-02169
UNII-NV1779205D
1-n-octanol
2-Capryl alcohol
Lorol C8
Octanol-(1)
ALFOL 8 ALCOHOL
2-Octanol ~99%
bmse000970
bmse000980
1-OCTANOL [FHFI]
1-OCTANOL [HSDB]
1-OCTANOL [MI]
EC 203-917-6
Octan-2-ol 98+ %
SCHEMBL8822
Octyl alcohol normal-primary
OCTYL ALCOHOL [FCC]
KALCOHL-0898
WLN: Q8
MLS001055318
CHEMBL26215
NACOL 8-99 ALCOHOL
1-Octanol, analytical standard
GTPL4278
CAPRYLYL ALCOHOL [INCI]
N-OCTYL ALCOHOL, PRIMARY
BDBM22606
1-Octanol, anhydrous, >=99%
NSC9823
HMS3039O07
1-Octanol, for HPLC, >=99%
1-Octanol, ACS reagent, >=99%
1-Octanol, ReagentPlus(R), 99%
Tox21_201373
Tox21_300096
c0045
CO-898
LMFA05000130
STL264193
1-Octanol, >=98%, FCC, FG
1-Octanol, natural, >=98%, FCC
AKOS000120100
DB12452
HY-W032013
MCULE-2656577895
NCGC00091003-01
NCGC00091003-02
NCGC00091003-03
NCGC00091003-04
NCGC00091003-05
NCGC00254099-01
NCGC00258924-01
BP-21329
LS-13539
SMR000673567
1-Octanol, puriss., >=99.5% (GC)
1-Octanol, SAJ first grade, >=75.0%
1-Octanol, JIS special grade, >=98.0%
1-Octanol, Vetec(TM) reagent grade, 98%
CS-0076037
NS00010163
O0036
O0212
EN300-19311
C00756
1-Octanol, ACS spectrophotometric grade, >=99%
Q161666
J-002650
F0001-0248
Z104473500
958E4752-AAC3-4F72-A0BF-02D95F9E8071
InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H
220713-26-8
67700-96-3
Microorganism:

Yes

IUPAC nameoctan-1-ol
SMILESCCCCCCCCO
InchiInChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
FormulaC8H18O
PubChem ID957
Molweight130.23
LogP3
Atoms9
Bonds6
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID16188
Supernatural-IDSN0181179

mVOC Specific Details

Boiling Point
DegreeReference
194.7 °C peer reviewed
Volatilization
The Henry's Law constant for 1-octanol is reported as 2.5X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 1-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 43 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 17 days(SRC). 1-Octanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Octanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0794 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) Daubert TE, Danner RP; Data Compilation, Tables of Properties of Pure Cmpds, Design Inst for Phys Prop Data, Am Inst for Phys Prop Data, New York, NY (1989)
Soil Adsorption
The Koc of 1-octanol is reported as 38(1). According to a classification scheme(2), this Koc value suggests that 1-octanol is expected to have very high mobility in soil(SRC).
Literature: (1) Schuumann G et al; Environ Sci Technol 40 :7005-11 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
7.94X10-2 mm Hg at 25 deg C (est)Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANALu et al. 2022
ProkaryotaEscherichia ColiNANAKunze et al. 2013
ProkaryotaEscherichia ColiNANAHamilton-Kemp et al. 2005
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaShigella FlexneriChina Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et al. 2017
ProkaryotaBacillus SubtilisNAGao et al. 2018
EukaryotaTrichoderma Harzianum0NALi et al. 2018
EukaryotaFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
EukaryotaTrichoderma HarzianumNALi et al. 2018
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
EukaryotaCandida AlbicansATCC MYA-2876, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida GlabrataATCC 90030, American Type Culture CollectionCosta et al. 2020
EukaryotaCandida TropicalisATCC 750, American Type Culture CollectionCosta et al. 2020
ProkaryotaEscherichia ColiLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHFitzgerald et al. 2020
ProkaryotaMicrobacterium Paraoxydansantifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)leaves of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spotLópez et al. 2021
ProkaryotaChromobacterium Vacciniiantifungal activity against Trichoderma sp. MWU14-9201, Phoma sp. MWU-UMCS9302, Colletotrichum sp. MWU-UMCS9301, Coleophoma sp. MWU-UMCS9305 and Phytophthora cinnamomi R001isolate from cultivated cranberry bog soils in Massachusetts (USA)Ebadzadsahrai et al. 2020
ProkaryotaStaphylococcus AureusAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaErwinia Amylovoraenhances Arabidopsis thaliana shoot and root growthbacterial collection of the LabParmagnani et al. 2023
ProkaryotaBacillus Subtilispromote biomass production of Arabidopsis thalianarhizosphere of Haloxylon ammodendronHe et al. 2023
EukaryotaAspergillus Flavusn/aNAStotzky and Schenck 1976
ProkaryotaSerratia Plymuthican/aNAWeise et al. 2014
ProkaryotaSerratia Marcescensn/aNAWeise et al. 2014
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Indicumn/aNASplivallo et al. 2007
ProkaryotaEscherichia Colin/aNATait et al. 2014
ProkaryotaKlebsiella Pneumoniaen/aNATait et al. 2014
ProkaryotaStaphylococcus Aureusn/aNATait et al. 2014
ProkaryotaCitrobacter FreundiiAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaEnterobacter AerogenesAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaEnterobacter CloacaeAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaEscherichia ColiAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaSalmonella TyphimuriumAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaSalmonella ParatyphiAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaShigella SonneiAmerican Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology LaboratoryElgaali et al. 2002
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
EukaryotaMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al. 1991
EukaryotaAscocoryne Sp.NAGriffin et al. 2010
EukaryotaFusarium CulmorumNASavel’eva et al. 2014
EukaryotaLasiodiplodia PseudotheobromaeNAOliveira et al. 2015
ProkaryotaArthrobacter Agilisnarhizosphere of maize plantsVelázquez-Becerra et al. 2011
EukaryotaPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al. 2000
EukaryotaFomitopsis PinicolanaGermanyRösecke et al. 2000
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
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
ProkaryotaSalmonella Enteritidisn/aNAArnold and Senter 1998
ProkaryotaEnterobacter Cloacaen/aNAArnold and Senter 1998
EukaryotaTrichoderma Viriden/aNAHung et al. 2013
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
EukaryotaSaccharomyces CerevisiaeNANAZhao et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
EukaryotaPhytophthora CactorumN/APhytophthora cactorum Loulier et al. 2020
MicrobacteriumBallot et al. 2023
Cyberlindnera FabianiiMa et al. 2023
Lactobacillus PlantarumMa et al. 2023
Enterobacter CloacaeTallon et al. 2023
Klebsiella OxytocaTallon et al. 2023
Saccharomyces CerevisiaePeng et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaTH mediumGC-IMSno
ProkaryotaEscherichia ColiLBMCC-IMSno
ProkaryotaEscherichia Colitryptic soy brothSPME/GC-FIDno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaShigella FlexneriTrypticase Soy Broth (TSB)HS-SPME/GC-MSno
ProkaryotaBacillus SubtilisLuria-Bertani (LB) agarHS / SPME / GC-MSno
EukaryotaTrichoderma HarzianumPDA plateSPME-GC-MSno
EukaryotaFomes FomentariusGC-MS (SIM)yes
EukaryotaTrichoderma Harzianumpotato dextrose agarSPME, GC-MSno
ProkaryotaPseudomonas Sp.DYGS mediaHS-SPME/GC-MSno
ProkaryotaBacillus MycoidesMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaEscherichia ColiTSB mediaHS-SPME/GC-MSno
ProkaryotaMicrobacterium ParaoxydansTYB mediaGC-MSno
ProkaryotaChromobacterium VacciniiKing media B (KMB)SBSE-TD-GC×GC-TOF-MSno
ProkaryotaStaphylococcus AureusMHB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaErwinia AmylovoraSBSE/GC-MSno
ProkaryotaBacillus Subtilis1/2 MS mediaSPME/GC-MSno
EukaryotaAspergillus Flavusn/an/ano
ProkaryotaSerratia PlymuthicaNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia MarcescensNBIIHeadspace trapping/ GC-MSno
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Indicumn/an/ano
ProkaryotaEscherichia ColiBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Columnno
ProkaryotaKlebsiella PneumoniaeBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Columnno
ProkaryotaStaphylococcus AureusBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Columnno
ProkaryotaCitrobacter FreundiiTS brothGC-MS SPMEyes
ProkaryotaEnterobacter AerogenesTS brothGC-MS SPMEyes
ProkaryotaEnterobacter CloacaeTS brothGC-MS SPMEyes
ProkaryotaEscherichia ColiTS brothGC-MS SPMEyes
ProkaryotaSalmonella TyphimuriumTS brothGC-MS SPMEyes
ProkaryotaSalmonella ParatyphiTS brothGC-MS SPMEyes
ProkaryotaShigella SonneiTS brothGC-MS SPMEyes
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
EukaryotaMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
EukaryotaAscocoryne Sp.no
EukaryotaFusarium Culmorumno
EukaryotaLasiodiplodia Pseudotheobromaeno
ProkaryotaArthrobacter AgilisLB mediumSPME-GC/MSno
EukaryotaPiptoporus BetulinusnaGC/MSno
EukaryotaFomitopsis PinicolanaGC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
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
ProkaryotaSalmonella EnteritidisHS-SPME/GC-MS no
ProkaryotaEnterobacter CloacaeHS-SPME/GC-MS no
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
ProkaryotaBacillus AtrophaeusSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
EukaryotaSaccharomyces Cerevisiaesynthetic grape juiceHS-SPMEno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
EukaryotaPhytophthora CactorumPotato Dextrose AgarSPME/GC-MS/MSstandard
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
Cyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
Lactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno
Enterobacter Cloacaetryptone soya broth (TSB) mediaTenax/GC/MSno
Klebsiella Oxytocatryptone soya broth (TSB) mediaTenax/GC/MSno
Saccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno