Results for:
Species: Ascocoryne sp

2-phenylethyl Acetate

Mass-Spectra

Compound Details

Synonymous names
Phenethyl acetate
2-Phenylethyl acetate
103-45-7
2-Phenethyl acetate
Acetic acid, 2-phenylethyl ester
Benzylcarbinyl acetate
beta-Phenylethyl acetate
Acetic Acid Phenethyl Ester
Acetic acid, phenethyl ester
Phenethyl alcohol, acetate
Phenylethyl acetate
phenethylacetate
Ethanol, 2-phenyl-, acetate
beta-Phenethyl acetate
FEMA No. 2857
NSC 71927
.beta.-Phenethyl acetate
.beta.-Phenylethyl acetate
Phenylethyl acetate-.beta.
DTXSID7044506
CHEBI:31988
Acetic acid beta-phenylethyl ester
NSC-71927
67733846OW
Phenethyl acetate (natural)
2-Phenylethylacetate
EINECS 203-113-5
BRN 0638179
AI3-03878
Acetic Acid 2-Phenylethyl Ester
FEMA 2857
UNII-67733846OW
2-phenylethyl ester
beta -phenethyl acetate
Phenylethyl acetate-beta
beta -phenylethyl acetate
EC 203-113-5
2-Phenethyl acetate, 99%
NCIOpen2_000347
WLN: 1VO2R
.beta.-Phenylethanol acetate
2-Phenylethyl acetate, 9CI
SCHEMBL111422
SCHEMBL8509205
PHENETHYL ACETATE [FCC]
CHEMBL3184025
DTXCID5024506
PHENETHYL ACETATE [FHFI]
PHENETHYL ACETATE [INCI]
Acetic acid beta -phenylethyl ester
NSC71927
Tox21_301027
Acetic acid .beta.-phenylethyl ester
MFCD00008720
Phenethyl acetate, analytical standard
AKOS005207039
MCULE-2877884154
Phenethyl acetate, >=98%, FCC, FG
NCGC00248260-01
NCGC00254929-01
AC-18657
BS-42314
CAS-103-45-7
A0692
CS-0154998
NS00006759
Phenethyl acetate, natural, >=98%, FCC, FG
A851581
Q6856299
W-108850
InChI=1/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H
Microorganism:

Yes

IUPAC name2-phenylethyl acetate
SMILESCC(=O)OCCC1=CC=CC=C1
InchiInChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
FormulaC10H12O2
PubChem ID7654
Molweight164.2
LogP2.3
Atoms12
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids esters aromatic compounds
CHEBI-ID31988
Supernatural-IDSN0222536

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaProteus MirabilisNANAJünger et al. 2012
ProkaryotaStreptococcus AgalactiaeNANAJünger et al. 2012
ProkaryotaCorynebacterium Striatumclinical isolateLemfack et al. 2016
EukaryotaFusarium Oxysporum0NALi et al. 2018
EukaryotaCandida SakeKing George Island, South Shetland Islands, AntarcticaArrarte et al. 2017
EukaryotaFusarium OxysporumNALi et al. 2018
ProkaryotaPseudomonas Pseudoalcaligenespromotes the growth of Zea mays L. and confer the resistance to drought stress in this maizeApplied Microbiology and Biotechnology lab, Department of Biosciences, Comsats University IslamabadYasmin et al. 2021
EukaryotaGrosmannia ClavigeraNorthern Forestry Centre Culture Collection (Edmonton, Alberta), originally cultured from the phloem of MPB-infested lodgepole pine trees near Banff, AlbertaWang et al. 2020
ProkaryotaPaenibacillus Etheriisolate from the lichen Rhizocarpon geographicumMiral et al. 2022
EukaryotaMetschnikowia Reukaufiiinhibitory and promoting effects on the growth of different microorganismsisolate from Aconitum piepunense, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaDebaryomyces Hanseniiinhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaMrakia Blollopisinhibitory and promoting effects on the growth of different microorganismsisolate from Saxifraga cespitosa, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaTausonia Pullulansinhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystofilobasidium Sp.inhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaCystofilobasidium Capitatuminhibitory and promoting effects on the growth of different microorganismsisolate from Silene acaulis, Ny-Ålesund (Svalbard Archipelago, Arctic); CCTCC (China Center for Type Culture Collection, Wuhan, Hubei, China)Niu et al. 2022
EukaryotaMuscodor CrispansWild pineapple plant, Ananas ananassoidesMitchell et al. 2010
ProkaryotaStreptomyces Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaXanthomonas Campestrisn/aNAWeise et al. 2012
EukaryotaHansenula Holstiiwhole beetles, beetle guts, loblolly pineBrand et al. 1977
EukaryotaAscocoryne Sp.NAGriffin et al. 2010
EukaryotaFusarium Sp.NABrock et al. 2011
EukaryotaMuscodor Sp.NAZhang et al. 2010
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
EukaryotaMuscodor Albusn/aNACorcuff et al. 2011
EukaryotaAscocoryne Sarcoidesn/aNAMallette et al.  2012
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
EukaryotaHanseniaspora UvarumNANAGe et al. 2021
EukaryotaSaccharomycopsis CrataegensisNANAGe et al. 2021
EukaryotaMetschnikowia PulcherrimaNANAGe et al. 2021
EukaryotaPichia KluyveriNANAGe et al. 2021
EukaryotaRhodosporidiobolus LusitaniaeNANAGe et al. 2021
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaPichia KluyveriNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
EukaryotaSaccharomyces EubayanusNANAUrbina et al. 2020
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2020
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
EukaryotaHanseniaspora ValbyensisNANATran et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaProteus MirabilisColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaStreptococcus AgalactiaeColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaCorynebacterium Striatumbrain heart infusion mediumPorapak / GC/MSno
EukaryotaFusarium OxysporumPDA plateSPME-GC-MSno
EukaryotaCandida SakeYeast Nitrogen base with 1% pectinSPME / GCMSno
EukaryotaFusarium Oxysporumpotato dextrose agarSPME, GC-MSno
ProkaryotaPseudomonas PseudoalcaligenesLB mediaSPME/GC-MSno
EukaryotaGrosmannia ClavigeraPDA mediaGC-MSno
ProkaryotaPaenibacillus EtheriGYM Streptomyces agar mediumSPME/GC-MSyes
EukaryotaMetschnikowia Reukaufiiartificial nectar mediaGC-MSno
EukaryotaDebaryomyces Hanseniiartificial nectar mediaGC-MSno
EukaryotaMrakia Blollopisartificial nectar mediaGC-MSno
EukaryotaTausonia Pullulansartificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Sp.artificial nectar mediaGC-MSno
EukaryotaCystofilobasidium Capitatumartificial nectar mediaGC-MSno
EukaryotaMuscodor Crispanspotato dextrose agarSPME-GC-MSyes
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaXanthomonas CampestrisNBIIClosed airflow-system/GC-MS and PTR-MSno
EukaryotaHansenula HolstiiPYGGC-MSno
EukaryotaAscocoryne Sp.no
EukaryotaFusarium Sp.no
EukaryotaMuscodor Sp.no
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes
EukaryotaMuscodor Albusn/aHeadspace sampler/GC-MSno
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno
EukaryotaHanseniaspora Uvarumgrape juiceLC-15C HPLCno
EukaryotaSaccharomycopsis Crataegensisgrape juiceLC-15C HPLCno
EukaryotaMetschnikowia Pulcherrimagrape juiceLC-15C HPLCno
EukaryotaPichia Kluyverigrape juiceLC-15C HPLCno
EukaryotaRhodosporidiobolus Lusitaniaegrape juiceLC-15C HPLCno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KudriavzeviiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KluyveriYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno
EukaryotaWickerhamomyces Anomalusmedium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)SPME with GC-MSno
EukaryotaWickerhamomyces Anomalussolid-state fermentation starter culture DaquSPME coupled with GC-MSno
EukaryotaSaccharomyces Eubayanusbeer wortHS-SPME-GC-MSno
EukaryotaSaccharomyces Eubayanusbeer wortHS‐GC‐FIDno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomyces Cerevisiaesynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
EukaryotaHanseniaspora Valbyensissugared green and black teaHS-SPME-GC/MSno


Butan-1-ol

Mass-Spectra

Compound Details

Synonymous names
1-butanol
Butan-1-ol
butanol
n-butanol
71-36-3
Butyl alcohol
n-butyl alcohol
1-hydroxybutane
Propylcarbinol
Butyl hydroxide
Methylolpropane
Propylmethanol
Hemostyp
n-Butan-1-ol
Butyric alcohol
1-Butyl alcohol
Butanolo
Propyl carbinol
Alcool butylique
Butylowy alkohol
BuOH
Butanolen
Normal primary butyl alcohol
RCRA waste number U031
CCS 203
n-Butylalkohol
Alcohol, Butyl
Butyl alcohol (natural)
FEMA No. 2178
FEMA Number 2178
1 Butanol
35296-72-1
Butyric or normal primary butyl alcohol
n-BuOH
HSDB 48
NSC 62782
CCRIS 4321
butanol-1
n-Butyl-1,1-d2 Alcohol
EINECS 200-751-6
UNII-8PJ61P6TS3
8PJ61P6TS3
Butyl alcohol (NF)
Butyl alcohol [NF]
ALCOHOL,BUTYL
DTXSID1021740
CHEBI:28885
AI3-00405
n-Butyl--d6 Alcohol
MFCD00002964
NSC-62782
1219794-84-9
64118-16-7
CHEMBL14245
DTXCID701740
1-Butanol-4,4,4-d3
EC 200-751-6
NCGC00090961-02
Butanols
1-BUTANOL-3,3,4,4,4-D5
BUTYL ALCOHOL (II)
BUTYL ALCOHOL [II]
n-Propyl carbinol
Butanol [French]
Butanolen [Dutch]
Butanolo [Italian]
1-Butanol, analytical standard
BUTYL ALCOHOL (MART.)
BUTYL ALCOHOL [MART.]
VANADIUM TETRABUTOXIDE
n-Butanol, Butan-1-ol, 1-Butanol
6167-45-9
n Butanol
n Butyl Alcohol
Alcool butylique [French]
Butylowy alkohol [Polish]
1-Butanol, ACS reagent, >=99.4%
CAS-71-36-3
Alcohol, n-Butyl
1BO
Butanol, 1-
TRIBUTYL ACETYLCITRATE IMPURITY D (EP IMPURITY)
TRIBUTYL ACETYLCITRATE IMPURITY D [EP IMPURITY]
RCRA waste no. U031
UNII-WB09NY83YA
butaneol
butylalcohol
butan-1-olate,vanadium(4+)
butyl-alcohol
n-butylalcohol
normal butanol
1-butylalcohol
n-Propylcarbinol
n-Butanolbutanolen
nBuOH
1 -butanol
1- butanol
1-n-Butanol
1-Butanol, anhydrous
N-Butyl Alcohol,(S)
1-Butanol, for HPLC
n-Butanol, HPLC grade
1-Butanol, 99%
1-Butanol, HPLC Grade
n-C4H9OH
bmse000447
1-butanol (butyl alcohol)
1-Butanol, 99.9%
BUTYL ALCOHOL [FCC]
WB09NY83YA
BUTYL ALCOHOL [FHFI]
BUTYL ALCOHOL [HSDB]
WLN: Q4
1-butanol (n-butyl alcohol)
1-BUTANOL [USP-RS]
ALCOHOL,BUTYL [VANDF]
BIDD:ER0611
N-BUTYL ALCOHOL [MI]
N-BUTYL ALCOHOL [INCI]
1-Butanol, LR, >=99%
BDBM36173
1-Butanol, anhydrous, 99.8%
DTXSID20172556
N-Butanol, ACS, 99.4+%
N-BUTYL ALCOHOL [WHO-DD]
1-Butanol, AR, >=99.5%
1-Butanol, for HPLC, 99.8%
Butyl alcohol, >=99.9%, FCC
NSC62782
Tox21_111046
Tox21_200741
LMFA05000109
STL264186
AKOS000249218
1-Butanol 500 microg/mL in Methanol
1-Butanol, for HPLC, >=99.7%
DB02145
MCULE-1571156443
Butyl alcohol, >=99.9%, FCC, FG
NCGC00090961-01
NCGC00090961-03
NCGC00258295-01
BP-30034
1-Butanol, SAJ first grade, >=99.0%
1-Butanol, for molecular biology, >=99%
1-Butanol, JIS special grade, >=99.0%
1-Butanol, p.a., ACS reagent, 99.4%
1-Butanol, for HPLC, >=99.8% (GC)
1-Butanol, spectrophotometric grade, 99.5%
1-Butanol, UV HPLC spectroscopic, 99.5%
B0228
B0704
B0944
NS00009227
1-Butanol, anhydrous, ZerO2(TM), 99.8%
EN300-19305
1-Butanol, Ultrapure, Spectrophotometric Grade
Butyl alcohol, natural, >=99.5%, FCC, FG
C06142
D03200
Q16391
F0001-1830
InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H
1-Butanol, puriss. p.a., ACS reagent, >=99.5% (GC)
BDBC6468-886D-4F6C-8746-734F2B63E6CE
1-Butanol, ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%
1-Butanol, United States Pharmacopeia (USP) Reference Standard
1-Butanol, Pharmaceutical Secondary Standard; Certified Reference Material
1-Butanol, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.5% (GC)
Microorganism:

Yes

IUPAC namebutan-1-ol
SMILESCCCCO
InchiInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
FormulaC4H10O
PubChem ID263
Molweight74.12
LogP0.9
Atoms5
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID28885
Supernatural-IDSN0213258

mVOC Specific Details

Boiling Point
DegreeReference
117.6 °C peer reviewed
Volatilization
The Henry's Law constant for n-butyl alcohol is 8.81X10-6 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that n-butanol 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 3.7 days(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 29 days(SRC). n-Butyl alcohol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). n-Butyl alcohol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-89 (1969) (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; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The measured Koc of n-butyl alcohol is reported as 3.2(1). According to a classification scheme(2), this Koc value suggests that n-butyl alcohol is expected to have very high mobility in soil(SRC).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7001 (2006). Supporting information available, as of June 9, 2014: http://pubs.acs.org/doi/suppl/10.1021/es060152f/suppl_file/es060152fsi20060905_091308.pdf (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
7.0 mm Hg at 25 deg CDaubert, 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
ProkaryotaStaphylococcus AureusNANAZhu et al. 2010
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaEnterococcus FaecalisNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStreptococcus PyogenesNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaStaphylococcus AureusNANAJia et al. 2010
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaPseudomonas AeruginosaNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANANA
ProkaryotaPseudomonas PutidaNANANA
ProkaryotaPseudomonas FluorescensNANANA
ProkaryotaShewanella PutrefaciensNANANA
ProkaryotaStaphylococcus AureusNANAFilipiak et al. 2012
ProkaryotaStenotrophomonas MaltophiliaNANANA
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaBacillus PumilusLobaria pulmonaria lichen thalli, AustriaCernava et al. 2015
ProkaryotaKlebsiella PneumoniaeNARees et al. 2017
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaVibrio ParahaemolyticusChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaBacillus Sp.antifungal activity against Fusarium solaniRhizosphere soil of avocadoGuevara-Avendaño et al. 2019
ProkaryotaBacillus Subtilispig (Sus scrofa domesticus) carcassCernosek et al. 2020
EukaryotaFusarium GraminearumNASchnürer et al. 1999
EukaryotaPenicillium AurantiogriseumNASchnürer et al. 1999
ProkaryotaBacillus SubtilisvermicompostMu et al. 2017
ProkaryotaProteus Vulgarisrhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)Yu et al. 2013
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
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
ProkaryotaStaphylococcus Epidermidisstrains were provided by Prof. O'Gara at NUI GalwayFitzgerald et al. 2020
ProkaryotaBacillus PumilusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
EukaryotaChaetomium IndicumNAMoisan et al. 2021
ProkaryotaBacillus Velezensisinhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 105NACalvo et al. 2020
ProkaryotaBacillus Velezensisinhibite the growth of Botrytis cinerea VG1, Monilinia fructicola VG 104, Monilinia laxa VG 105, Penicillium digitatum VG 20, Penicillium expansum CECT 20140, Penicillium italicum VG 115NACalvo et al. 2020
ProkaryotaStreptococcus PyogenesNational Collection of Type CulturesSlade et al. 2022
EukaryotaMortierella Alpina/globalpinaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Angustaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Bainieriisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Exiguaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Gamsiiisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Gemmiferaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaPodila Horticolaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaPodila Humilis/verticilataisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaLinnemannia Hyalinaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaEntomortierella Parvisporaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Pseudozygosporaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Solitariaisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMortierella Zonataisolate from different types of soil in AustriaTelagathoti et al. 2021
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia RestrictaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia SympodialisFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
ProkaryotaBacillus Subtilispromote biomass production of Arabidopsis thaliana and Haloxylon ammodendronrhizosphere of Haloxylon ammodendronHe et al. 2023
EukaryotaTrichoderma VirideNAHung et al. 2013
ProkaryotaPseudomonas FluorescensNACheng et al. 2016
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Melanosporumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Brumalen/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Aestivumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchöller et al. 2002
ProkaryotaStreptomyces Rishiriensisn/aNASchöller et al. 2002
ProkaryotaStreptomyces Albusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Antibioticusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Aureofaciensn/aNASchöller et al. 2002
ProkaryotaStreptomyces Coelicolorn/aNASchöller et al. 2002
ProkaryotaStreptomyces Diastatochromogenesn/aNASchöller et al. 2002
ProkaryotaStreptomyces Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Olivaceusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
ProkaryotaEscherichia Colin/aNABunge et al. 2008
ProkaryotaShigella Flexnerin/aNABunge et al. 2008
ProkaryotaSalmonella Enterican/aNABunge et al. 2008
EukaryotaCandida Tropicalisn/aNABunge et al. 2008
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
ProkaryotaStaphylococcus EpidermidisDSMZVerhulst et al. 2010
EukaryotaAscocoryne Sp.NAGriffin et al. 2010
EukaryotaFusarium CulmorumNASavel’eva et al. 2014
ProkaryotaLeuconostoc Citreumnagoat cheese wheyPogačić et al. 2016
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
EukaryotaAspergillus FlavusnanaSpraker et al. 2014
EukaryotaTrichoderma Pseudokoningiin/anot shownWheatley et al. 1997
EukaryotaPleurotus EryngiinanaUsami et al. 2014
ProkaryotaPseudomonas ChlororaphisnaRhizosphere of maize, Kiev region, UkrainePopova et al. 2014
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
ProkaryotaPaenibacillus Polymyxacollection TU GrazRybakova et al. 2017
EukaryotaVerticillium Longisporumcollection TU GrazRybakova et al. 2017
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaAureobasidium PullulansNANAMozūraitis et al. 2022
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
EukaryotaPichia KudriavzeviiNANAMozūraitis et al. 2022
EukaryotaPichia FermentansNANAMozūraitis et al. 2022
EukaryotaSaccharomyces ParadoxusNANAMozūraitis et al. 2022
EukaryotaTorulaspora DelbrueckiiNANAMozūraitis et al. 2022
EukaryotaPichia AnomalaNANAMozūraitis et al. 2022
EukaryotaMetschnikowia PulcherrimaNANAMozūraitis et al. 2022
ProkaryotaStaphylococcus EquorumNANAToral et al. 2021
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaPeribacillus Sp.NANAToral et al. 2021
ProkaryotaBacillus VelezensisNANAToral et al. 2021
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusTSBSESI-MSno
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaEnterococcus FaecalisTYESIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaTYESIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStreptococcus PyogenesTYESIFT-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLBSPME/GC-MSno
ProkaryotaStaphylococcus AureusMHBSPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatrypticase soy agarTD/GC-MSno
ProkaryotaPseudomonas Putidatrypticase soy agarTD/GC-MSno
ProkaryotaPseudomonas Fluorescenstrypticase soy agarTD/GC-MSno
ProkaryotaShewanella Putrefacienstrypticase soy agarTD/GC-MSno
ProkaryotaStaphylococcus Aureustryptic soy brothTD/GC-MSno
ProkaryotaStenotrophomonas Maltophiliatrypticase soy agarTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaBacillus PumilusR2AGC/MS SPMEno
ProkaryotaKlebsiella PneumoniaeLBSPME / GCxGC-TOFMSno
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno
ProkaryotaVibrio ParahaemolyticusSodium chloride brothSPME, GC-MSno
ProkaryotaBacillus Sp.LB agarSPME-GC-MSno
ProkaryotaBacillus SubtilisNutrient AgarSPME-GC-MSno
EukaryotaFusarium Graminearummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
EukaryotaPenicillium Aurantiogriseummalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaBacillus SubtilisGC–MSyes
ProkaryotaProteus VulgarisLB agarSPME, GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.DYGS mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas Sp.LB mediaHS-SPME/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
ProkaryotaStaphylococcus EpidermidisTSB mediaHS-SPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno
EukaryotaChaetomium Indicum1/5th PDA mediumGC-MSno
ProkaryotaBacillus VelezensisMOLP mediaSPME/GC-MSyes
ProkaryotaStreptococcus PyogenesTS agar/blood agarHS-SPME/GC-MSno
EukaryotaMortierella Alpina/globalpinaPD agarPTR-ToF-MSno
EukaryotaMortierella AngustaPD agarPTR-ToF-MSno
EukaryotaMortierella BainieriPD agarPTR-ToF-MSno
EukaryotaLinnemannia ExiguaPD agarPTR-ToF-MSno
EukaryotaLinnemannia GamsiiPD agarPTR-ToF-MSno
EukaryotaMortierella GemmiferaPD agarPTR-ToF-MSno
EukaryotaPodila HorticolaPD agarPTR-ToF-MSno
EukaryotaPodila Humilis/verticilataPD agarPTR-ToF-MSno
EukaryotaLinnemannia HyalinaPD agarPTR-ToF-MSno
EukaryotaEntomortierella ParvisporaPD agarPTR-ToF-MSno
EukaryotaMortierella PseudozygosporaPD agarPTR-ToF-MSno
EukaryotaMortierella SolitariaPD agarPTR-ToF-MSno
EukaryotaMortierella ZonataPD agarPTR-ToF-MSno
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Sympodialismodified Dixon agarHS-SPME/GC-MSno
ProkaryotaBacillus Subtilis1/2 MS mediaSPME/GC-MSyes
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
ProkaryotaPseudomonas FluorescensKings B + rif,+kann; PDA GC-Q-TOF-MSno
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Brumalen/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaStreptomyces Rishiriensisn/an/ano
ProkaryotaStreptomyces Albusn/an/ano
ProkaryotaStreptomyces Antibioticusn/an/ano
ProkaryotaStreptomyces Aureofaciensn/an/ano
ProkaryotaStreptomyces Coelicolorn/an/ano
ProkaryotaStreptomyces Diastatochromogenesn/an/ano
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaStreptomyces Hirsutusn/an/ano
ProkaryotaStreptomyces Hygroscopicusn/an/ano
ProkaryotaStreptomyces Murinusn/an/ano
ProkaryotaStreptomyces Olivaceusn/an/ano
ProkaryotaStreptomyces Thermoviolaceusn/an/ano
ProkaryotaEscherichia Colin/an/ano
ProkaryotaShigella Flexnerin/an/ano
ProkaryotaSalmonella Enterican/an/ano
EukaryotaCandida Tropicalisn/an/ano
EukaryotaTrichoderma VirideLow mediumGC/MSno
EukaryotaTrichoderma PseudokoningiiLow mediumGC/MSno
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
ProkaryotaStaphylococcus EpidermidisCLSA, charcoal, GC-MSno
EukaryotaAscocoryne Sp.no
EukaryotaFusarium Culmorumno
ProkaryotaLeuconostoc Citreumcurd-based broth mediumGC/MSyes
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
EukaryotaAspergillus Flavusglucose minimal mediumSPME-GC/MSno
EukaryotaTrichoderma Pseudokoningiiminimal agarVOCS were analysed by Integrated Automated Thermal Desorbtion-GC-MS. The isolates were grown on a minimal agar medium with the carbon:nitrogen levels similar to that found in Scots pine wood. Covered cultures were incubated at 25°C for 48h.no
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
ProkaryotaPseudomonas ChlororaphisLB mediumSPME-GC/MSno
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaPaenibacillus PolymyxaGC-MS / SPMEno
EukaryotaVerticillium Longisporumpotato dextrose agar (PDA), Czapek Dox liquid cultureGC-MS / SPMEno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaAureobasidium PullulansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia KudriavzeviiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia FermentansYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaSaccharomyces ParadoxusYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaTorulaspora DelbrueckiiYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia AnomalaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaMetschnikowia PulcherrimaYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaStaphylococcus EquorumMOLPHS-SPME-GC/MSno
ProkaryotaStaphylococcus EquorumSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaStaphylococcus Equorumtryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus AtrophaeusSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaBacillus Atrophaeustryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.MOLPHS-SPME-GC/MSno
ProkaryotaPeribacillus Sp.tryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus VelezensisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


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


Propan-1-ol

Mass-Spectra

Compound Details

Synonymous names
1-propanol
propanol
Propan-1-ol
Propyl alcohol
n-propanol
71-23-8
n-Propyl alcohol
ethylcarbinol
Policosanol
optal
1-hydroxypropane
osmosol extra
Propylic alcohol
Propanol-1
1-Propyl alcohol
n-Propan-1-ol
Propanole
Propanolen
Alcohol, propyl
Propanoli
Ethyl carbinol
Alcool propilico
Alcool propylique
Propylowy alkohol
n-Propyl alkohol
142583-61-7
Albacol
propane-1-ol
1-PROPONOL
propylalcohol
Propyl alcohol, normal
Caswell No. 709A
FEMA No. 2928
FEMA Number 2928
Propyl alcohol (natural)
Propyl alcohol, n-
NSC 30300
CCRIS 3202
HSDB 115
n-Propylalkohol
EINECS 200-746-9
EPA Pesticide Chemical Code 047502
n-PrOH
UNII-96F264O9SV
BRN 1098242
DTXSID2021739
CHEBI:28831
AI3-16115
Propylan-propyl alcohol
96F264O9SV
MFCD00002941
NSC-30300
62309-51-7
UN 1274
Propyl-1,1-d2 alcohol
DTXCID001739
Propyl-3,3,3-d3 alcohol
PROPYL-2-D1 ALCOHOL
PROPYL ALCOHOL (PROPANOL)
EC 200-746-9
4-01-00-01413 (Beilstein Handbook Reference)
1-Propanol, anhydrous
1-Propanol-D1
Propanol; Propan-1-ol
POL
Propanole [German]
Propanolen [Dutch]
Propanol, 1-
Propanoli [Italian]
PROPANOL (EP MONOGRAPH)
PROPANOL [EP MONOGRAPH]
PROPYL ALCOHOL (MART.)
PROPYL ALCOHOL [MART.]
1 Propanol
Alcool propilico [Italian]
Alcool propylique [French]
n-Propyl alkohol [German]
PROPANOL-1,1,2,2-D4
Propylowy alkohol [Polish]
UN1274
Hydroxypropane
ethyl methanol
n-propylalcohol
normal propanol
3-propanol
ASTM Method D7059 Calibration Mixture 1 500-1200 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 2 500-600 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 3 300-500 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 4 150-500 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 5 100-500 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 6 25-500 microg/mL in Toluene
ASTM Method D7059 Calibration Mixture 7 5-500 microg/mL in Toluene
nPrOH
HOPr
PrOH
normal propyl alcohol
Caswell No 709A
N-Propanol ACS grade
PROPYL-1,1,3,3,3-D5 ALCOHOL
n-C3H7OH
1-Propanol, HPLC Grade
bmse000446
N-PROPANOL [HSDB]
PROPANOL [WHO-DD]
1-Propanol, >=99%
PROPYL ALCOHOL [MI]
Pesticide Code: 047502
PROPYL ALCOHOL [FCC]
WLN: Q3
CHEMBL14687
PROPYL ALCOHOL [FHFI]
PROPYL ALCOHOL [INCI]
1-PROPANOL [USP-RS]
1-Propanol, analytical standard
1-Propanol, JIS special grade
1-Propanol, >=99%, FG
1-Propanol, LR, >=99%
1-Propanol, >=99.80%
BDBM36153
DTXSID70167831
1-Propanol, anhydrous, 99.7%
1-Propanol, p.a., 99.5%
1-Propanol, AR, >=99.5%
AMY11110
NSC30300
Tox21_302440
1-Propanol, Spectrophotometric Grade
LMFA05000101
n-Propanol or propyl alcohol, normal
STL264225
1-Propanol, natural, >=98%, FG
Hydroxypropyl cellulose-SL (HPC-SL)
1-Propanol, >=99% (GC), purum
AKOS000249219
1-Propanol, for HPLC, >=99.5%
1-Propanol, for HPLC, >=99.9%
DB03175
MCULE-6252105126
1-Propanol, ACS reagent, >=99.5%
1-Propanol, HPLC grade, >=99.5%
CAS-71-23-8
1-Propanol, purum, >=99.0% (GC)
NCGC00255163-01
1-Propanol 100 microg/mL in Acetonitrile
1-Propanol, SAJ first grade, >=99.0%
NS00001811
P0491
1-Propanol, UV HPLC spectroscopic, 99.0%
EN300-19337
C05979
Q14985
A837125
InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H
J-505102
1-Propanol, for inorganic trace analysis, >=99.8%
F0001-1829
1-Propanol, puriss. p.a., Reag. Ph. Eur., >=99.5% (GC)
1-Propanol, United States Pharmacopeia (USP) Reference Standard
n-Propanol or propyl alcohol, normal [UN1274] [Flammable liquid]
1-Propanol, Pharmaceutical Secondary Standard; Certified Reference Material
5VQ
Microorganism:

Yes

IUPAC namepropan-1-ol
SMILESCCCO
InchiInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
FormulaC3H8O
PubChem ID1031
Molweight60.1
LogP0.3
Atoms4
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID28831
Supernatural-IDSN0022376

mVOC Specific Details

Boiling Point
DegreeReference
97.2 °C peer reviewed
Volatilization
The Henry's Law constant for n-propanol is 7.41X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that n-propanol 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 62 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 31 days(SRC). n-Propanol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of n-propanol from dry soil surfaces may exist(SRC) based upon a vapor pressure of 21.0 mm Hg(3).
Literature: (1) Snider JR, Dawson GA; J Geophys Res, D: Atmos 90: 3797-805 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th Ed. NY, NY: Wiley-Interscience p. 194 (1986)
Soil Adsorption
The Koc of n-propanol is estimated as 33(SRC), using a measured log Kow of 0.25(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-propanol is expected to have very high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, And Steric Constants. ACS Profess Ref Book. Washington, DC: Amer Chem Soc p. 7 (1995) (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: 17-28 (1983)
Vapor Pressure
PressureReference
21.0 mm Hg @ 25 deg CRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 194
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaStaphylococcus AureusNANAJia et al. 2010
ProkaryotaEscherichia ColiNANABoots et al. 2014
ProkaryotaKlebsiella PneumoniaeNANABoots et al. 2014
ProkaryotaVibrio ParahaemolyticusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin 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
ProkaryotaBacillus AtrophaeusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus PumilusLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaEscherichia ColiSwedish Institute for Communicable Disease Control (SMI), Stockholm, SwedenSousa et al. 2023
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia RestrictaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
ProkaryotaLactobacillus SakeinaSake starterPogačić et al. 2016
EukaryotaPenicillium Aurantiogriseumn/aNABörjesson et al. 1990
EukaryotaTuber Borchiin/aNASplivallo et al. 2007
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Indicumn/aNASplivallo et al. 2007
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
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
ProkaryotaEscherichia Colin/aNAArnold and Senter 1998
ProkaryotaKlebsiella Pneumoniaen/aNAArnold and Senter 1998
ProkaryotaSalmonella Enteritidisn/aNAArnold and Senter 1998
ProkaryotaEnterobacter Cloacaen/aNAArnold and Senter 1998
EukaryotaTrichoderma Viriden/aNAWheatley et al. 1997
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
EukaryotaCandida Shehataecacti, fruits, insects, natural habitatsNout and Bartelt 1998
EukaryotaSaccharomyces Cerevisiaegrape vineBecher et al. 2012
EukaryotaAscocoryne Sp.NAGriffin et al. 2010
EukaryotaFusarium CulmorumNASavel’eva et al. 2014
ProkaryotaLactobacillus Sakeican be used to modify or intensify the flavour of industrial cheeses or fermented milks or to preserve the peculiar flavour of traditional dairy productsNAPogačić et al. 2016
EukaryotaSaccharomyces CerevisiaeInhibited growth and sporulation of Aspergillus niger.NAStotzky and Schenck 1976
EukaryotaPenicillium CamembertiNALarsen 1998
EukaryotaPenicillium CaseifulvumNALarsen 1998
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAGe et al. 2021
EukaryotaWickerhamomyces AnomalusNANAShi et al. 2022
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2020
EukaryotaMeyerozyma GuilliermondiiNANAZhao et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAZhao et al. 2022
EukaryotaSaccharomycopsis ViniNANAZhao et al. 2022
EukaryotaSaturnispora DiversaNANAZhao et al. 2022
EukaryotaWickerhamomyces AnomalusNANAZhao et al. 2022
Meyerozyma GuilliermondiiXiong et al. 2023
Saccharomyces CerevisiaeQin et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaStaphylococcus AureusMHBSPME/GC-MSno
ProkaryotaEscherichia ColiMueller–HintonTD/GC-MSno
ProkaryotaKlebsiella PneumoniaeMueller–HintonTD/GC-MSno
ProkaryotaVibrio ParahaemolyticusSodium chloride brothSPME, GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
ProkaryotaBacillus Atrophaeusnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno
ProkaryotaEscherichia ColiLB mediaHS-SPME/GC-MSno
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
ProkaryotaLactobacillus Sakeicurd-based broth mediumGC/MSyes
EukaryotaPenicillium Aurantiogriseumn/an/ano
EukaryotaTuber Borchiin/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Indicumn/an/ano
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
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
ProkaryotaEscherichia ColiTS brothHS-SPME/GC-MS no
ProkaryotaKlebsiella PneumoniaeTS brothHS-SPME/GC-MS no
ProkaryotaSalmonella EnteritidisHS-SPME/GC-MS no
ProkaryotaEnterobacter CloacaeHS-SPME/GC-MS no
EukaryotaTrichoderma VirideLow mediumGC/MSno
EukaryotaTrichoderma PseudokoningiiLow mediumGC/MSno
EukaryotaCandida Shehataeyeast malt agarSPME, GC-MSyes
EukaryotaSaccharomyces Cerevisiaesynthetic minimal mediumGC-MS, EIyes
EukaryotaAscocoryne Sp.no
EukaryotaFusarium Culmorumno
ProkaryotaLactobacillus SakeiMan Rogosa Sharpe broth (MRS)Tenax-trap/GC-MSno
EukaryotaSaccharomyces Cerevisiaen/an/ano
EukaryotaPenicillium Camembertino
EukaryotaPenicillium Caseifulvumno
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaegrape juiceLC-15C HPLCno
EukaryotaWickerhamomyces Anomalusmedium consisted of glucose (20 g/l), peptone (5 g/l), agar (20 g/l) and amoxicillin (1 g/l)SPME with GC-MSno
EukaryotaWickerhamomyces Anomalussolid-state fermentation starter culture DaquSPME coupled with GC-MSno
EukaryotaSaccharomyces Eubayanusbeer wortHS‐GC‐FIDno
EukaryotaMeyerozyma Guilliermondiisynthetic grape juiceHS-SPMEno
EukaryotaSaccharomyces Cerevisiaesynthetic grape juiceHS-SPMEno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
Saccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno


Hexan-1-ol

Mass-Spectra

Compound Details

Synonymous names
1-Hexanol
Hexan-1-ol
Hexyl alcohol
111-27-3
HEXANOL
n-Hexanol
n-Hexyl alcohol
Amylcarbinol
1-Hydroxyhexane
1-Hexyl alcohol
Caproyl alcohol
Pentylcarbinol
Caproic alcohol
n-Hexan-1-ol
C6 alcohol
Alcohol(C6)
Hexanol (VAN)
EPAL 6
Hexyl alcohol (natural)
1-Hexanol-13C6
FEMA No. 2567
NSC 9254
25917-35-5
MFCD00002982
Hexanol-(1)
n-Hexyl--d5 Alcohol
6CP2QER8GS
DTXSID8021931
CHEBI:87393
NSC-9254
286013-16-9
Alcohol C-6
DTXCID201931
Caswell No. 482E
Hydroxyhexane
Hexanols
FEMA Number 2567
BHL
CAS-111-27-3
HE2
HSDB 565
EINECS 203-852-3
UNII-6CP2QER8GS
EPA Pesticide Chemical Code 079047
BRN 0969167
Caproalcohol
Hexalcohol
HEXYL ALCOHOL, ACTIVE
n-hexylalcohol
AI3-08157
N-hexenol
Exxal 6
EINECS 247-346-0
HEXANOL-CMPD
Exxal 6 (Salt/Mix)
BDBM9
1-Hexanol, 98%
Hexyl alcohol, FCC, FG
1-HEXANOL [HSDB]
1-HEXANOL [MI]
EC 203-852-3
n-C6H13OH
SCHEMBL1877
HEXYL ALCOHOL [FCC]
C6H13OH
HEXYL ALCOHOL [FHFI]
HEXYL ALCOHOL [INCI]
WLN: Q6
4-01-00-01694 (Beilstein Handbook Reference)
MLS001055374
UN 2282 (Salt/Mix)
BIDD:ER0298
CHEMBL14085
1-Hexanol, analytical standard
1-Hexanol, anhydrous, >=99%
NSC9254
1-Hexanol, reagent grade, 98%
DTXSID001022586
HMS3039L08
BCP29486
Tox21_201335
Tox21_302953
LMFA05000117
STL282713
UN2282
AKOS009031422
HY-W032022
MCULE-4299150163
1-Hexanol, purum, >=98.0% (GC)
1-Hexyl alcohol pound>>1-Hexylalcohol
NCGC00090949-01
NCGC00090949-02
NCGC00256385-01
NCGC00258887-01
Hexanols [UN2282] [Flammable liquid]
LS-13216
PD158361
SMR000677945
1-Hexanol, SAJ special grade, >=99.0%
1-Hexanol, Vetec(TM) reagent grade, 98%
CS-0076046
H0130
Hexyl alcohol, natural, >=98%, FCC, FG
NS00009706
EN300-19338
Q76933
1-Hexanol, ReagentPlus(R), >=99.5% (GC)
J-002549
F0001-0237
Z104473568
InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H
Microorganism:

Yes

IUPAC namehexan-1-ol
SMILESCCCCCCO
InchiInChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
FormulaC6H14O
PubChem ID8103
Molweight102.17
LogP2
Atoms7
Bonds4
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID87393
Supernatural-IDSN0478985

mVOC Specific Details

Boiling Point
DegreeReference
157 °C peer reviewed
Volatilization
The Henry's Law constant for 1-hexanol is 1.71X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 1-hexanol 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 2 days(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 20 days(SRC). 1-Hexanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Hexanol is expected to volatilize slowly from dry soil surfaces(SRC) based upon a vapor pressure of 0.928 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (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; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. NY: Hemisphere Pub Corp (1989)
Soil Adsorption
A Koc of 10.2 was determined for 1-hexanol on a Hagerstown silt loam soil(1). According to a suggested classification scheme(2), this Koc value suggests that 1-hexanol is expected to have very high mobility in soil.
Literature: (1) Gerstl Z, Helling CS; J Environ Sci Health 22: 55-69 (1987) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.928 mm Hg at 25 deg CDaubert, 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
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaEscherichia ColiNANALawal et al. 2018a
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaLactobacillus PlantarumNAYang et al. 2022
EukaryotaChaetomium Globosumwild strainsSchleibinger et al. 2005
EukaryotaFusarium Oxysporum0NALi et al. 2018
EukaryotaTrichoderma Harzianum0NALi et al. 2018
EukaryotaFusarium OxysporumNALi et al. 2018
EukaryotaTrichoderma HarzianumNALi et al. 2018
ProkaryotaBacillus Tequilensisantifungal activity against the hyphae growth of Ceratocystis fimbriatarhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016Xu 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
ProkaryotaBacillus Wiedmanniiantifungal activity against Fusarium solaniEnvironmental Biotechnology Laboratory of CIATEJ, Guadalajara (state of Jalisco), Mexico; isolated in from agricultural soilGutiérrez-Santa Ana et al. 2020
EukaryotaMalassezia GlobosaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia RestrictaFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaMalassezia SympodialisFungal Biodiversity Center (WesterdijkInstitute, Utrecht, The Netherlands)Rios-Navarro et al. 2023
EukaryotaTuber Indicumn/aNASplivallo et al. 2007
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Borchiin/aNASplivallo et al. 2007
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaBacillus Cereusn/aNABlom et al. 2011
ProkaryotaCellulomonas Udan/aNABlom et al. 2011
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaEscherichia Colin/aNABlom et al. 2011
ProkaryotaPseudomonas Chlororaphisn/aNABlom et al. 2011
ProkaryotaSerratia Entomophilan/aNABlom et al. 2011
ProkaryotaSerratia Marcescensn/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaBurkholderia Anthinan/aNABlom et al. 2011
ProkaryotaBurkholderia Caledonican/aNABlom et al. 2011
ProkaryotaBurkholderia Caribensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Caryophyllin/aNABlom et al. 2011
ProkaryotaBurkholderia Cepacian/aNABlom et al. 2011
ProkaryotaBurkholderia Fungorumn/aNABlom et al. 2011
ProkaryotaBurkholderia Glathein/aNABlom et al. 2011
ProkaryotaBurkholderia Glumaen/aNABlom et al. 2011
ProkaryotaBurkholderia Hospitan/aNABlom et al. 2011
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
ProkaryotaBurkholderia Kururiensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Phenaziniumn/aNABlom et al. 2011
ProkaryotaBurkholderia Phenoliruptrixn/aNABlom et al. 2011
ProkaryotaBurkholderia Phytofirmansn/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Saccharin/aNABlom et al. 2011
ProkaryotaBurkholderia Terricolan/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Tropican/aNABlom et al. 2011
ProkaryotaBurkholderia Xenovoransn/aNABlom et al. 2011
EukaryotaMuscodor Albusn/aNACorcuff et al. 2011
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
EukaryotaAspergillus Flavussemichemical of the navel orangeworm mothARS culture collection (NRRL)Beck et al. 2012
EukaryotaAspergillus Nigersemichemical of the navel orangeworm mothARS culture collection (NRRL)Beck et al. 2012
EukaryotaAspergillus Parasiticussemichemical of the navel orangeworm mothARS culture collection (NRRL)Beck et al. 2012
EukaryotaPenicillium Glabrumsemichemical of the navel orangeworm mothARS culture collection (NRRL)Beck et al. 2012
EukaryotaAscocoryne Sp.NAGriffin et al. 2010
EukaryotaFusarium CulmorumNASavel’eva et al. 2014
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
ProkaryotaLeuconostoc Mesenteroidesnagoat cheesePogačić et al. 2016
ProkaryotaBurkholderia CepaciaRhizosphereBlom et al. 2011
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaVerticillium Longisporumn/aNAMueller et al. 2013
EukaryotaStropharia Rugosoannulatan/aNAMueller et al. 2013
EukaryotaTrichoderma Viriden/aNAMueller et al. 2013
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
EukaryotaPleurotus EryngiinanaUsami et al. 2014
EukaryotaPleurotus CystidiosusnanaUsami et al. 2014
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaCryptococcus WieringaeNANAMozūraitis et al. 2022
EukaryotaPichia MembranifaciensNANAMozūraitis et al. 2022
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
EukaryotaHanseniaspora ValbyensisNANATran et al. 2022
EukaryotaPhytophthora CactorumN/APhytophthora cactorum Loulier et al. 2020
EukaryotaPhytophthora PlurivoraN/APhytophthora plurivoraLoulier et al. 2020
Meyerozyma GuilliermondiiXiong et al. 2023
Lactiplantibacillus PlantarumChen et al. 2023
Saccharomyces CerevisiaeJi et al. 2024
Cyberlindnera FabianiiMa et al. 2023
Lactobacillus PlantarumMa et al. 2023
Saccharomyces CerevisiaePeng et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaEscherichia ColiASMTD/GC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
EukaryotaChaetomium Globosumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaFusarium OxysporumPDA plateSPME-GC-MSno
EukaryotaTrichoderma HarzianumPDA plateSPME-GC-MSno
EukaryotaFusarium Oxysporumpotato dextrose agarSPME, GC-MSno
EukaryotaTrichoderma Harzianumpotato dextrose agarSPME, GC-MSno
ProkaryotaBacillus TequilensisLB mediaHS-SPME/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
ProkaryotaBacillus WiedmanniiLB mediaSPME/GC-MSno
EukaryotaMalassezia Globosamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Restrictamodified Dixon agarHS-SPME/GC-MSno
EukaryotaMalassezia Sympodialismodified Dixon agarHS-SPME/GC-MSno
EukaryotaTuber Indicumn/an/ano
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Borchiin/an/ano
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaBacillus CereusMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCellulomonas UdaMR-VP and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaChromobacterium ViolaceumMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaEscherichia ColiMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas ChlororaphisMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia EntomophilaMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia MarcescensMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia AnthinaMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaledonicaMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaribensisMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaryophylliMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CepaciaMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia FungorumAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlatheiMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlumaeMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia HospitaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GraminisMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia KururiensisMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenaziniumMS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenoliruptrixMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhytofirmansMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SacchariMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TerricolaMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TropicaMS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia XenovoransAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
EukaryotaMuscodor Albusn/aHeadspace sampler/GC-MSno
EukaryotaTrichoderma PseudokoningiiLow mediumGC/MSno
EukaryotaAspergillus FlavusPDAGC/MSyes
EukaryotaAspergillus NigerPDAGC/MSyes
EukaryotaAspergillus ParasiticusPDAGC/MSyes
EukaryotaPenicillium GlabrumPDAGC/MSyes
EukaryotaAscocoryne Sp.no
EukaryotaFusarium Culmorumno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agar; MS mediumGC/MSno
ProkaryotaLeuconostoc Mesenteroidescurd-based broth mediumGC/MSyes
ProkaryotaBurkholderia CepaciaMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)yes
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-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
EukaryotaPleurotus EryngiinaGC/MS, GC-O, AEDAno
EukaryotaPleurotus CystidiosusnaGC/MS, GC-O, AEDAno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaCryptococcus WieringaeYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
EukaryotaPichia MembranifaciensYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno
EukaryotaHanseniaspora Valbyensissugared green and black teaHS-SPME-GC/MSno
EukaryotaPhytophthora CactorumPotato Dextrose AgarSPME/GC-MS/MSstandard
EukaryotaPhytophthora PlurivoraPotato Dextrose AgarSPME/GC-MS/MSstandard
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno
Lactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
Saccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno
Cyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
Lactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno
Saccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno


Heptan-1-ol

Mass-Spectra

Compound Details

Synonymous names
1-HEPTANOL
Heptan-1-ol
Heptyl alcohol
111-70-6
Heptanol
n-Heptanol
n-Heptyl alcohol
Enanthic alcohol
Gentanol
n-Heptan-1-ol
Enanthyl alcohol
1-Hydroxyheptane
Alcohol C-7
Hydroxy heptane
n-Heptanol-1
53535-33-4
FEMA No. 2548
NSC 3703
Heptane-1-ol
l'Alcool n-heptylique primaire
n-Heptyl--d7 Alcohol
1219804-99-5
HEPTYL ALCOHOL, N-
DTXSID8021937
FEMA 2548
NSC3703
8JQ5607IO5
NSC-3703
Hydroxyheptane
Hexyl carbinol
C7 alcohol
DTXCID601937
Pri-n-heptyl alcohol
N-HEPTYL-D15 ALCOHOL
Heptyl alcohol, primary
FEMA Number 2548
Heptyl alcohol (natural)
N-Heptanol-1 [French]
1-heptyl alcohol
CAS-111-70-6
38007-42-0
HSDB 1077
EINECS 203-897-9
BRN 1731686
l'Alcool N-heptylique primaire [French]
UNII-8JQ5607IO5
AI3-15363
heptanol-1
1-Heptanol purum
Alcohol C7
MFCD00002986
1-Hept
Heptyl alcohol, 8CI
1-Heptanol, 98%
starbld0033280
1-HEPTANOL [MI]
EC 203-897-9
n-C7H15OH
SCHEMBL2077
1-HEPTANOL [HSDB]
HEPTYL ALCOHOL [FCC]
WLN: Q7
4-01-00-01731 (Beilstein Handbook Reference)
HEPTYL ALCOHOL [FHFI]
CHEMBL273459
Heptyl alcohol, natural, 98%
1-Heptanol, analytical standard
BDBM22605
CHEBI:43003
CHEBI:88619
EINECS 258-615-7
Tox21_201247
Tox21_303470
1-Heptanol, >=99.5% (GC)
LMFA05000122
STL280281
Heptyl alcohol, >=97%, FCC, FG
AKOS000120104
HY-W099504
MCULE-5882959353
1-Heptanol, purum, >=99.0% (GC)
NCGC00249005-01
NCGC00257506-01
NCGC00258799-01
BP-31150
LS-13378
CS-0152146
H0033
NS00007978
EN300-19352
A802399
Q113820
J-002619
F0001-0245
Z104473596
InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H
Microorganism:

Yes

IUPAC nameheptan-1-ol
SMILESCCCCCCCO
InchiInChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
FormulaC7H16O
PubChem ID8129
Molweight116.2
LogP2.7
Atoms8
Bonds5
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID43003
Supernatural-IDSN0021082

mVOC Specific Details

Boiling Point
DegreeReference
175.8 °C peer reviewed
Volatilization
The Henry's Law constant for 1-heptanol is 1.88X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 1-heptanol 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 2.2 days(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 20 days(SRC). 1-Heptanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Heptanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.216 mm Hg(3).
Literature: (1) Butler JAV; J Chem Soc pp. 280-5 (1935) (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 of Vapor Pressures, Gulf Publ Co, Houston TX p.391 (1994)
Soil Adsorption
The Koc of 1-heptanol is estimated as 74(SRC), using a water solubility of 1,670 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-heptanol is expected to have high mobility in soil.
Literature: (1) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 438 (2003) (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: 17-28 (1983)
Vapor Pressure
PressureReference
0.2163 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressures, Gulf Publ Co, Houston TX p.391 (1994)
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
ProkaryotaLactobacillus PlantarumNAYang et al. 2022
EukaryotaTrichoderma Harzianum0NALi et al. 2018
EukaryotaTrichoderma HarzianumNALi et al. 2018
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
EukaryotaTuber Melanosporumn/aNASplivallo et al. 2007
EukaryotaTuber Borchiin/aNASplivallo et al. 2007
EukaryotaTuber Indicumn/aNASplivallo et al. 2007
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaBacillus Cereusn/aNABlom et al. 2011
ProkaryotaBurkholderia Andropogonisn/aNABlom et al. 2011
ProkaryotaChromobacterium Violaceumn/aNABlom et al. 2011
ProkaryotaCupriavidus Necatorn/aNABlom et al. 2011
ProkaryotaBurkholderia Graminisn/aNABlom et al. 2011
ProkaryotaEscherichia Colin/aNABlom et al. 2011
ProkaryotaLimnobacter Thiooxidansn/aNABlom et al. 2011
ProkaryotaPseudomonas Chlororaphisn/aNABlom et al. 2011
ProkaryotaPseudomonas Fluorescensn/aNABlom et al. 2011
ProkaryotaPseudomonas Putidan/aNABlom et al. 2011
ProkaryotaSerratia Entomophilan/aNABlom et al. 2011
ProkaryotaSerratia Marcescensn/aNABlom et al. 2011
ProkaryotaSerratia Plymuthican/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaStenotrophomonas Rhizophilan/aNABlom et al. 2011
ProkaryotaBurkholderia Caledonican/aNABlom et al. 2011
ProkaryotaBurkholderia Caribensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Caryophyllin/aNABlom et al. 2011
ProkaryotaBurkholderia Cepacian/aNABlom et al. 2011
ProkaryotaBurkholderia Fungorumn/aNABlom et al. 2011
ProkaryotaBurkholderia Gladiolin/aNABlom et al. 2011
ProkaryotaBurkholderia Glathein/aNABlom et al. 2011
ProkaryotaBurkholderia Glumaen/aNABlom et al. 2011
ProkaryotaBurkholderia Hospitan/aNABlom et al. 2011
ProkaryotaBurkholderia Kururiensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Latan/aNABlom et al. 2011
ProkaryotaBurkholderia Phenaziniumn/aNABlom et al. 2011
ProkaryotaBurkholderia Phenoliruptrixn/aNABlom et al. 2011
ProkaryotaBurkholderia Phytofirmansn/aNABlom et al. 2011
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Saccharin/aNABlom et al. 2011
ProkaryotaBurkholderia Sordidicolan/aNABlom et al. 2011
ProkaryotaBurkholderia Terricolan/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaBurkholderia Tropican/aNABlom et al. 2011
ProkaryotaBurkholderia Xenovoransn/aNABlom et al. 2011
EukaryotaAscocoryne Sp.NAGriffin et al. 2010
EukaryotaFusarium CulmorumNASavel’eva et al. 2014
ProkaryotaBurkholderia CepaciaRhizosphereBlom et al. 2011
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
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
EukaryotaSaccharomyces CerevisiaeNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaHanseniaspora UvarumNANAMozūraitis et al. 2022
ProkaryotaLactobacillus PlantarumNANAZhang et al. 2022
EukaryotaHanseniaspora ValbyensisNANATran et al. 2022
EukaryotaPhytophthora CactorumN/APhytophthora cactorum Loulier et al. 2020
Cyberlindnera FabianiiMa et al. 2023
Saccharomyces CerevisiaePeng et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
EukaryotaTrichoderma HarzianumPDA plateSPME-GC-MSno
EukaryotaTrichoderma Harzianumpotato dextrose agarSPME, GC-MSno
EukaryotaCandida AlbicansYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida GlabrataYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaCandida TropicalisYGC mediaHS-SPME/GC-GC-ToFMSno
EukaryotaTuber Melanosporumn/an/ano
EukaryotaTuber Borchiin/an/ano
EukaryotaTuber Indicumn/an/ano
EukaryotaTuber Aestivumn/an/ano
ProkaryotaBacillus CereusLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia AndropogonisMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaChromobacterium ViolaceumMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaCupriavidus NecatorMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GraminisLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaEscherichia ColiMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaLimnobacter ThiooxidansMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas ChlororaphisLB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas FluorescensAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaPseudomonas PutidaMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia EntomophilaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia MarcescensMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia PlymuthicaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaStenotrophomonas RhizophilaAngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaledonicaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaribensisLB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CaryophylliMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia CepaciaMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia FungorumMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GladioliLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlatheiMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia GlumaeMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia HospitaMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia KururiensisMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia LataMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenaziniumLB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhenoliruptrixLB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PhytofirmansLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia PyrrociniaLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SacchariLB, MR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia SordidicolaMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TerricolaMR-VP and LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia TropicaMR-VP and MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia XenovoransMR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
EukaryotaAscocoryne Sp.no
EukaryotaFusarium Culmorumno
ProkaryotaBurkholderia CepaciaMR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)yes
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-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
EukaryotaSaccharomyces Cerevisiaeliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaHanseniaspora UvarumYPD-agar plates (1% yeast extract, 1% peptone, 2% dextrose, 2% agar)SPME-GC-MSno
ProkaryotaLactobacillus Plantarumchickpea milkUHPLC/MSno
EukaryotaHanseniaspora Valbyensissugared green and black teaHS-SPME-GC/MSno
EukaryotaPhytophthora CactorumPotato Dextrose AgarSPME/GC-MS/MSstandard
Cyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
Saccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno


3-methylpentan-1-ol

Mass-Spectra

Compound Details

Synonymous names
3-METHYL-1-PENTANOL
3-Methylpentan-1-ol
589-35-5
3-Methylpentanol
2-Ethyl-4-butanol
3-Ethyl-1-butanol
1-Pentanol, 3-methyl-
FEMA No. 3762
MFCD00002937
N8W93SI0FS
(+/-)-3-methyl-1-pentanol
NSC-9466
20281-83-8
UNII-N8W93SI0FS
NSC9466
3-methyl pentanol
NSC 9466
EINECS 209-644-9
3-methyl pentan-1-ol
3-Methyl-pentan-1-ol
AI3-38563
SCHEMBL14990
3-Methyl-1-pentanol, 99%
SCHEMBL8988208
CHEBI:87381
DTXSID20862248
3-Methyl-(.+/-.)-1-Pentanol
(DL)-3-METHYLPENTYL ALCOHOL
LMFA05000111
3-Methyl-1-pentanol, >=99%, FG
AKOS009156537
MCULE-6482427735
SB83830
1-Pentanol, 3-methyl-, (.+/-.)-
BS-23125
SY061820
DB-050838
CS-0204814
M0600
NS00012960
D91364
EN300-140256
A869318
Q3278324
343268-11-1
Microorganism:

Yes

IUPAC name3-methylpentan-1-ol
SMILESCCC(C)CCO
InchiInChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
FormulaC6H14O
PubChem ID11508
Molweight102.17
LogP1.8
Atoms7
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID87381
Supernatural-IDSN0157308

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
EukaryotaAscocoryne Sp.no
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaesynthetic grape juiceHS-SPMEno
EukaryotaSaturnispora Diversasynthetic grape juiceHS-SPMEno
EukaryotaWickerhamomyces Anomalussynthetic grape juiceHS-SPMEno


4-methylpentan-1-ol

Mass-Spectra

Compound Details

Synonymous names
4-METHYL-1-PENTANOL
4-Methylpentan-1-ol
626-89-1
Isohexanol
4-Methylpentanol
Isohexyl alcohol
1-Pentanol, 4-methyl-
2-Methyl-5-pentanol
iso-Hexanol
Pentanol, 4-methyl-
4-Methyl-pentan-1-ol
1320-98-5
X796XFP7D4
DTXSID0044313
CHEBI:63910
MFCD00002962
NSC-91492
EINECS 210-969-3
NSC 91492
BRN 1731303
UNII-X796XFP7D4
AI3-38564
NSC91492
4-METHYLAMYL ALCOHOL
SCHEMBL23739
4-01-00-01721 (Beilstein Handbook Reference)
4-Methyl-1-pentanol, 97%
DTXCID608683
CHEMBL2260955
AMY39142
BCP06801
Tox21_301292
LMFA05000541
AKOS000120019
CS-W007511
HY-W007511
NCGC00257551-01
CAS-626-89-1
CS-17323
SY016761
DB-073173
M0775
NS00022562
EN300-19997
F20439
A848895
Q3278329
InChI=1/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H
Microorganism:

Yes

IUPAC name4-methylpentan-1-ol
SMILESCC(C)CCCO
InchiInChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
FormulaC6H14O
PubChem ID12296
Molweight102.17
LogP1.6
Atoms7
Bonds3
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID63910
Supernatural-IDSN0281968

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAscocoryne Sp.NAGriffin et al. 2010
EukaryotaCryptococcus NemorosusNANALjunggren et al. 2019
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAscocoryne Sp.no
EukaryotaCryptococcus Nemorosusliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno