Results for:
Species: Lasiodiplodia pseudotheobromae

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
ProkaryotaMicrobacteriumBallot et al. 2023
EukaryotaCyberlindnera FabianiiMa et al. 2023
ProkaryotaLactobacillus PlantarumMa et al. 2023
ProkaryotaEnterobacter CloacaeTallon et al. 2023
ProkaryotaKlebsiella OxytocaTallon et al. 2023
EukaryotaSaccharomyces 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
ProkaryotaMicrobacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno
EukaryotaCyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
ProkaryotaLactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno
ProkaryotaEnterobacter Cloacaetryptone soya broth (TSB) mediaTenax/GC/MSno
ProkaryotaKlebsiella Oxytocatryptone soya broth (TSB) mediaTenax/GC/MSno
EukaryotaSaccharomyces Cerevisiaesea buckthorn juiceHS-SPME-GC–MS/UHPLC–MSno


Decan-1-ol

Mass-Spectra

Compound Details

Synonymous names
1-DECANOL
Decan-1-ol
Decyl alcohol
112-30-1
Decanol
n-Decyl alcohol
n-Decanol
Capric alcohol
Nonylcarbinol
Antak
Caprinic alcohol
Royaltac
n-Decan-1-ol
Agent 504
Alcohol C-10
Primary decyl alcohol
Alfol 10
n-Decatyl alcohol
Epal 10
Royaltac M-2
Royaltac-85
Decylic alcohol
Sipol L10
1-Hydroxydecane
Lorol 22
Dytol S-91
Alcohol C10
Decanol (VAN)
Kalcohl 10H
C 10 alcohol
DECYL, N- ALCOHOL
Conol 10N
Epal 810
Nacol 10-99
85566-12-7
FEMA No. 2365
T-148
36729-58-5
NSC 406313
Decanol-(1)
Lorol C10
MFCD00004747
DTXSID7021946
CHEBI:28903
89V4LX791F
NSC406313
NSC-406313
n-Nonylcarbinol
Sprout-Off
1-Decanol, >=98%
C10 alcohol
DTXCID501946
1-Decanol (natural)
Kalcohl 1098
Alfol 810
Caswell No. 275A
Emtrol 1630B
Contak
Delete
FEMA Number 2365
CAS-112-30-1
DE1
CCRIS 654
DECYLALCOHOL
HSDB 1072
Emtrol 1601
Tobacco sucker control agent 148
Tobacco sucker control agent 504
T-148 (VAN)
EINECS 203-956-9
EINECS 287-621-2
EPA Pesticide Chemical Code 079038
BRN 1735221
Nonylcacarbinol
Panorama
n-decylalcohol
Nonyl acarbinol
UNII-6X61I5U3A4
UNII-89V4LX791F
AI3-02173
?Decyl alcohol
T 148
Decyl n- alcohol
EINECS 253-173-1
66455-17-2
ALFOL 10 ALCOHOL
1-Decanol n-Decyl alcohol
1-Decanol; Capric alcohol
1-DECANOL [FHFI]
1-DECANOL [HSDB]
EC 203-956-9
DECYL ALCOHOL [FCC]
SCHEMBL21645
DECYL ALCOHOL [INCI]
4-01-00-01815 (Beilstein Handbook Reference)
BIDD:ER0304
CHEMBL25363
N-DECYL ALCOHOL [MI]
1-Decanol, analytical standard
WLN: Q10
1-decanol (ACD/Name 4.0)
NACOL 10-99 ALCOHOL
CAPRIC ALCOHOL [USP-RS]
BDBM36280
6X61I5U3A4
Tox21_202186
Tox21_300078
LMFA05000062
STL280520
1-Decanol, >=98%, FCC, FG
AKOS000120014
MCULE-7579570663
NCGC00163764-01
NCGC00163764-02
NCGC00163764-03
NCGC00163764-04
NCGC00254141-01
NCGC00259735-01
AS-56505
1-Decanol, Selectophore(TM), >=98.0%
D0031
NS00007063
EN300-19920
C01633
Q47118
A802549
J-002747
F0001-0257
476960DD-B0CE-4D91-B27C-A9490A89B065
Capric alcohol, United States Pharmacopeia (USP) Reference Standard
InChI=1/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H
64641-46-9
70084-71-8
Microorganism:

Yes

IUPAC namedecan-1-ol
SMILESCCCCCCCCCCO
InchiInChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
FormulaC10H22O
PubChem ID8174
Molweight158.28
LogP4.6
Atoms11
Bonds8
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols
CHEBI-ID28903
Supernatural-IDSN0237188

mVOC Specific Details

Boiling Point
DegreeReference
229 °C peer reviewed
Volatilization
The Henry's Law constant for 1-decanol is reported as 4.78X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 1-decanol 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 27 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 12 days(SRC). 1-Decanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Decanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.51X10-3 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; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The log Koc of 1-decanol has been reported as 2.59(1). According to a classification scheme(2), this log Koc value suggests that 1-decanol is expected to have moderate mobility in soil.
Literature: (1) Schuurmann G et al; Environ Sci Technol 40:7005-11 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.00851 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., p. 4630
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANAKunze et al. 2013
ProkaryotaEscherichia ColiNANAHamilton-Kemp et al. 2005
ProkaryotaEscherichia ColiNANAFitzgerald et al. 2021
EukaryotaAspergillus Versicolorwild strainsSchleibinger et al. 2005
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Fonticolastimulate 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
ProkaryotaEscherichia ColiSwedish Institute for Communicable Disease Control (SMI), Stockholm, SwedenSousa et al. 2023
ProkaryotaSerratia Proteamaculansn/aNAWeise et al. 2014
ProkaryotaSerratia Odoriferan/aNAWeise et al. 2014
ProkaryotaSerratia Plymuthican/aNAWeise et al. 2014
ProkaryotaSerratia Marcescensn/aNAWeise et al. 2014
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
ProkaryotaLeuconostoc MesenteroidesAmerican 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
EukaryotaLasiodiplodia PseudotheobromaeNAOliveira et al. 2015
ProkaryotaPseudomonas FluorescensInhibition of mycelium growth and spore germinationNAFernando et al. 2005
ProkaryotaPseudomonas CorrugataInhibition of mycelium growth and spore germinationNAFernando et al. 2005
ProkaryotaPseudomonas ChlororaphisInhibition of mycelium growth and spore germinationNAFernando et al. 2005
ProkaryotaPseudomonas AurantiacaInhibition of mycelium growth and spore germinationNAFernando et al. 2005
ProkaryotaSalmonella Enteritidisn/aNAArnold and Senter 1998
ProkaryotaListeria Monocytogenesn/aNAArnold and Senter 1998
ProkaryotaEnterobacter Cloacaen/aNAArnold and Senter 1998
ProkaryotaBacillus Subtilisantibacterialsoil Malaysia and Tibet, China General Microbial culture center CGMCCXie et al. 2018
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
ProkaryotaBacillus ThuringiensisKoilybayeva et al. 2023
EukaryotaCyberlindnera FabianiiMa et al. 2023
ProkaryotaLactobacillus PlantarumMa et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBMCC-IMSno
ProkaryotaEscherichia Colitryptic soy brothSPME/GC-FIDno
ProkaryotaEscherichia ColiTSBSPME/GC-MSno
ProkaryotaEscherichia ColiBHISPME/GC-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
EukaryotaAspergillus Versicoloringrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesTSB media, MR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia FonticolaTSB media, MR-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
ProkaryotaEscherichia ColiLB mediaHS-SPME/GC-MSno
ProkaryotaSerratia ProteamaculansNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia OdoriferaNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia PlymuthicaNBIIHeadspace trapping/ GC-MSno
ProkaryotaSerratia MarcescensNBIIHeadspace trapping/ GC-MSno
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
ProkaryotaLeuconostoc MesenteroidesTS brothGC-MS SPMEyes
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
EukaryotaLasiodiplodia Pseudotheobromaeno
ProkaryotaPseudomonas Fluorescensn/an/ano
ProkaryotaPseudomonas Corrugatan/an/ano
ProkaryotaPseudomonas Chlororaphisn/an/ano
ProkaryotaPseudomonas Aurantiacan/an/ano
ProkaryotaSalmonella EnteritidisHS-SPME/GC-MS no
ProkaryotaListeria MonocytogenesHS-SPME/GC-MS no
ProkaryotaEnterobacter CloacaeHS-SPME/GC-MS no
ProkaryotaBacillus SubtilisLBSPME-GC-MSyes
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
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
ProkaryotaBacillus Thuringiensisbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno
EukaryotaCyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno
ProkaryotaLactobacillus Plantarumtuna cooking liquidHS-SPME-GC/MSno


Hexadecan-3-one

Mass-Spectra

Compound Details

Synonymous names
3-Hexadecanone
18787-64-9
hexadecan-3-one
Ethyl n-tridecyl ketone
NSC-158511
Ethyl tridecyl ketone
Cetan-3-one
EINECS 242-572-6
NSC158511
NSC 158511
U58JRT3EVM
3-Hexadecanone, >=99%
SCHEMBL966153
CHEMBL3273569
DTXSID4066412
CHEBI:179365
LMFA12000188
MFCD00048458
AKOS009158491
MCULE-9117802063
AS-56559
DB-044653
CS-0316386
H0565
NS00026142
D90903
J-012094
Q63409529
Microorganism:

Yes

IUPAC namehexadecan-3-one
SMILESCCCCCCCCCCCCCC(=O)CC
InchiInChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3
FormulaC16H32O
PubChem ID87789
Molweight240.42
LogP6.7
Atoms17
Bonds13
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones
CHEBI-ID179365
Supernatural-IDSN0215018

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaLasiodiplodia PseudotheobromaeNAOliveira et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusSodium chloride brothSPME, GC-MSno
EukaryotaLasiodiplodia Pseudotheobromaeno