Results for:
Species: Lasiodiplodia pseudotheobromae

Signature

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 name

octan-1-ol

SMILES

CCCCCCCCO

Inchi

InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

Formula

C₈H₁₈O

PubChem ID

957

Molweight

130.23

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

CHEBI-ID

16188

Supernatural-ID

SN0181179

mVOC Specific Details

Boiling Point

Degree	Reference
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

Pressure	Reference
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

MS-MS Spectrum 180871

MS-MS Spectrum 6298 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 6300 - EI-B (HITACHI M-80) Positive

MS-MS Spectrum 178552

MS-MS Spectrum 6301 - CI-B (HITACHI M-80) Positive

MS-MS Spectrum 178553

MS-MS Spectrum 6302 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 6303 - EI-B (SHIMADZU QP-1000) Positive

MS-MS Spectrum 6299 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 180872

MS-MS Spectrum 178551

MS-MS Spectrum 180870

1D-NMR-Links

1D NMR Spectrum 4971

1D NMR Spectrum 4062

1D NMR Spectrum 1656 - Bruker 600 MHz 1H NMR

1D NMR Spectrum 3798

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP000284

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001846

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005686

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006107

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006855

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007702

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Pseudomonas Aeruginosa	NA	NA	Lu et al. 2022
Prokaryota	Escherichia Coli	NA	NA	Kunze et al. 2013
Prokaryota	Escherichia Coli	NA	NA	Hamilton-Kemp et al. 2005
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Prokaryota	Shigella Flexneri		China Center of Industrial culture Collection, China General Microbiological Culture Collection Center	Chen et al. 2017
Prokaryota	Bacillus Subtilis		NA	Gao et al. 2018
Eukaryota	Trichoderma Harzianum	0	NA	Li et al. 2018
Eukaryota	Fomes Fomentarius		160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central Germany	Holighaus et al. 2014
Eukaryota	Trichoderma Harzianum		NA	Li et al. 2018
Prokaryota	Pseudomonas Sp.	antifungal activity against Thielaviopsis ethacetica mycelial growth	Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil	Freitas et al. 2022
Prokaryota	Bacillus Mycoides	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Microbacterium Paraoxydans	antifungal 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 spot	López et al. 2021
Prokaryota	Chromobacterium Vaccinii	antifungal activity against Trichoderma sp. MWU14-9201, Phoma sp. MWU-UMCS9302, Colletotrichum sp. MWU-UMCS9301, Coleophoma sp. MWU-UMCS9305 and Phytophthora cinnamomi R001	isolate from cultivated cranberry bog soils in Massachusetts (USA)	Ebadzadsahrai et al. 2020
Prokaryota	Staphylococcus Aureus		American Type Culture Collection	Jenkins and Bean 2020
Prokaryota	Erwinia Amylovora	enhances Arabidopsis thaliana shoot and root growth	bacterial collection of the Lab	Parmagnani et al. 2023
Prokaryota	Bacillus Subtilis	promote biomass production of Arabidopsis thaliana	rhizosphere of Haloxylon ammodendron	He et al. 2023
Eukaryota	Aspergillus Flavus	n/a	NA	Stotzky and Schenck 1976
Prokaryota	Serratia Plymuthica	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Marcescens	n/a	NA	Weise et al. 2014
Eukaryota	Tuber Melanosporum	n/a	NA	Splivallo et al. 2007
Eukaryota	Tuber Indicum	n/a	NA	Splivallo et al. 2007
Prokaryota	Escherichia Coli	n/a	NA	Tait et al. 2014
Prokaryota	Klebsiella Pneumoniae	n/a	NA	Tait et al. 2014
Prokaryota	Staphylococcus Aureus	n/a	NA	Tait et al. 2014
Prokaryota	Citrobacter Freundii		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Enterobacter Aerogenes		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Enterobacter Cloacae		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Escherichia Coli		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Salmonella Typhimurium		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Salmonella Paratyphi		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Shigella Sonnei		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Clostridium Difficile		outbreak 2006 UK	Rees et al. 2016
Eukaryota	Mortierella Isabellina		mor horizon of a spruce forest soil southeastern Sweden	Bengtsson et al. 1991
Eukaryota	Ascocoryne Sp.		NA	Griffin et al. 2010
Eukaryota	Fusarium Culmorum		NA	Savel’eva et al. 2014
Eukaryota	Lasiodiplodia Pseudotheobromae		NA	Oliveira et al. 2015
Prokaryota	Arthrobacter Agilis	na	rhizosphere of maize plants	Velázquez-Becerra et al. 2011
Eukaryota	Piptoporus Betulinus	na	Sachsenwald near Hamburg	Rösecke et al. 2000
Eukaryota	Fomitopsis Pinicola	na	Germany	Rösecke et al. 2000
Prokaryota	Pseudomonas Simiae	na	rhizosphere of a soybean field in the province of Rajasthan, India	Vaishnav et al. 2016
Eukaryota	Aspergillus Flavus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Parasiticus	n/a	NA	Beck et al. 2012
Eukaryota	Aspergillus Niger	n/a	NA	Beck et al. 2012
Eukaryota	Penicillium Glabrum	n/a	NA	Beck et al. 2012
Eukaryota	Rhizopus Stolonifer	n/a	NA	Beck et al. 2012
Prokaryota	Salmonella Enteritidis	n/a	NA	Arnold and Senter 1998
Prokaryota	Enterobacter Cloacae	n/a	NA	Arnold and Senter 1998
Eukaryota	Trichoderma Viride	n/a	NA	Hung et al. 2013
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Saccharomyces Eubayanus	NA	NA	Mardones et al. 2022
Prokaryota	Bacillus Atrophaeus	NA	NA	Toral et al. 2021
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Zhao et al. 2022
Eukaryota	Wickerhamomyces Anomalus	NA	NA	Zhao et al. 2022
Eukaryota	Phytophthora Cactorum	N/A	Phytophthora cactorum	Loulier et al. 2020
	Microbacterium			Ballot et al. 2023
	Cyberlindnera Fabianii			Ma et al. 2023
	Lactobacillus Plantarum			Ma et al. 2023
	Enterobacter Cloacae			Tallon et al. 2023
	Klebsiella Oxytoca			Tallon et al. 2023
	Saccharomyces Cerevisiae			Peng et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Pseudomonas Aeruginosa	TH medium	GC-IMS	no
Prokaryota	Escherichia Coli	LB	MCC-IMS	no
Prokaryota	Escherichia Coli	tryptic soy broth	SPME/GC-FID	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Prokaryota	Shigella Flexneri	Trypticase Soy Broth (TSB)	HS-SPME/GC-MS	no
Prokaryota	Bacillus Subtilis	Luria-Bertani (LB) agar	HS / SPME / GC-MS	no
Eukaryota	Trichoderma Harzianum	PDA plate	SPME-GC-MS	no
Eukaryota	Fomes Fomentarius		GC-MS (SIM)	yes
Eukaryota	Trichoderma Harzianum	potato dextrose agar	SPME, GC-MS	no
Prokaryota	Pseudomonas Sp.	DYGS media	HS-SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Microbacterium Paraoxydans	TYB media	GC-MS	no
Prokaryota	Chromobacterium Vaccinii	King media B (KMB)	SBSE-TD-GC×GC-TOF-MS	no
Prokaryota	Staphylococcus Aureus	MHB media	HS-SPME/GC×GC-TOFMS	no
Prokaryota	Erwinia Amylovora		SBSE/GC-MS	no
Prokaryota	Bacillus Subtilis	1/2 MS media	SPME/GC-MS	no
Eukaryota	Aspergillus Flavus	n/a	n/a	no
Prokaryota	Serratia Plymuthica	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Marcescens	NBII	Headspace trapping/ GC-MS	no
Eukaryota	Tuber Melanosporum	n/a	n/a	no
Eukaryota	Tuber Indicum	n/a	n/a	no
Prokaryota	Escherichia Coli	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column	no
Prokaryota	Klebsiella Pneumoniae	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column	no
Prokaryota	Staphylococcus Aureus	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column	no
Prokaryota	Citrobacter Freundii	TS broth	GC-MS SPME	yes
Prokaryota	Enterobacter Aerogenes	TS broth	GC-MS SPME	yes
Prokaryota	Enterobacter Cloacae	TS broth	GC-MS SPME	yes
Prokaryota	Escherichia Coli	TS broth	GC-MS SPME	yes
Prokaryota	Salmonella Typhimurium	TS broth	GC-MS SPME	yes
Prokaryota	Salmonella Paratyphi	TS broth	GC-MS SPME	yes
Prokaryota	Shigella Sonnei	TS broth	GC-MS SPME	yes
Prokaryota	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Eukaryota	Mortierella Isabellina	malt extact agar	diethyl extraction, GC-MS	no
Eukaryota	Ascocoryne Sp.			no
Eukaryota	Fusarium Culmorum			no
Eukaryota	Lasiodiplodia Pseudotheobromae			no
Prokaryota	Arthrobacter Agilis	LB medium	SPME-GC/MS	no
Eukaryota	Piptoporus Betulinus	na	GC/MS	no
Eukaryota	Fomitopsis Pinicola	na	GC/MS	no
Prokaryota	Pseudomonas Simiae	Nutrient broth; King's B agar	GC/MS	no
Eukaryota	Aspergillus Flavus	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Parasiticus	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Aspergillus Niger	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Penicillium Glabrum	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Eukaryota	Rhizopus Stolonifer	potato dextrose agar and Polyunsaturated Fatty Acids	SPME/ GC-MS	no
Prokaryota	Salmonella Enteritidis		HS-SPME/GC-MS	no
Prokaryota	Enterobacter Cloacae		HS-SPME/GC-MS	no
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Saccharomyces Eubayanus	YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)	HS‐SPME‐GC‐MS	no
Prokaryota	Bacillus Atrophaeus	Schaeffer’s growth (SG) medium	HS-SPME-GC/MS	no
Eukaryota	Saccharomyces Cerevisiae	synthetic grape juice	HS-SPME	no
Eukaryota	Wickerhamomyces Anomalus	synthetic grape juice	HS-SPME	no
Eukaryota	Phytophthora Cactorum	Potato Dextrose Agar	SPME/GC-MS/MS	standard
	Microbacterium	tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)	GC-QQQ-MS	no
	Cyberlindnera Fabianii	tuna cooking liquid	HS-SPME-GC/MS	no
	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no
	Enterobacter Cloacae	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Klebsiella Oxytoca	tryptone soya broth (TSB) media	Tenax/GC/MS	no
	Saccharomyces Cerevisiae	sea buckthorn juice	HS-SPME-GC–MS/UHPLC–MS	no

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 name

decan-1-ol

SMILES

CCCCCCCCCCO

Inchi

InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

Formula

C₁₀H₂₂O

PubChem ID

8174

Molweight

158.28

LogP

4.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols

CHEBI-ID

28903

Supernatural-ID

SN0237188

mVOC Specific Details

Boiling Point

Degree	Reference
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

Pressure	Reference
0.00851 mm Hg at 25 deg C	Daubert, 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

MS-MS Spectrum 2491 - Quattro_QQQ 25V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 181325

MS-MS Spectrum 6116 - EI-B (HITACHI M-80B) Positive

MS-MS Spectrum 181324

MS-MS Spectrum 179000

MS-MS Spectrum 181323

MS-MS Spectrum 178998

MS-MS Spectrum 6114 - EI-B (HITACHI RMU-7M) Positive

MS-MS Spectrum 6115 - CI-B (HITACHI M-80) Positive

MS-MS Spectrum 2490 - Quattro_QQQ 10V Positive delivery=Flow_Injection analyzer=Triple_Quad

MS-MS Spectrum 6117 - EI-B (HITACHI RMU-6M) Positive

MS-MS Spectrum 178999

MS-MS Spectrum 2492 - Quattro_QQQ 40V Positive delivery=Flow_Injection analyzer=Triple_Quad

1D-NMR-Links

1D NMR Spectrum 4063

1D NMR Spectrum 3799

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP001331

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005208

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006862

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007314

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Escherichia Coli	NA	NA	Kunze et al. 2013
Prokaryota	Escherichia Coli	NA	NA	Hamilton-Kemp et al. 2005
Prokaryota	Escherichia Coli	NA	NA	Fitzgerald et al. 2021
Eukaryota	Aspergillus Versicolor		wild strains	Schleibinger et al. 2005
Eukaryota	Aspergillus Flavus		ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy	Josselin et al. 2021
Prokaryota	Bacillus Mycoides	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Prokaryota	Serratia Fonticola	stimulate growth of Solanum tuberosum	isolate from Irish potato soils	Heenan-Daly et al. 2021
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Escherichia Coli		Leibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbH	Fitzgerald et al. 2020
Prokaryota	Microbacterium Paraoxydans	antifungal 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 spot	López et al. 2021
Prokaryota	Escherichia Coli		Swedish Institute for Communicable Disease Control (SMI), Stockholm, Sweden	Sousa et al. 2023
Prokaryota	Serratia Proteamaculans	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Odorifera	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Plymuthica	n/a	NA	Weise et al. 2014
Prokaryota	Serratia Marcescens	n/a	NA	Weise et al. 2014
Prokaryota	Escherichia Coli	n/a	NA	Tait et al. 2014
Prokaryota	Klebsiella Pneumoniae	n/a	NA	Tait et al. 2014
Prokaryota	Staphylococcus Aureus	n/a	NA	Tait et al. 2014
Prokaryota	Citrobacter Freundii		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Enterobacter Aerogenes		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Enterobacter Cloacae		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Escherichia Coli		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Salmonella Typhimurium		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Salmonella Paratyphi		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Shigella Sonnei		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Leuconostoc Mesenteroides		American Type Culture Collection (ATCC), Rockville, MD or wild strains identified at the University of Kentucky Dept. of Animal Sciences Food Microbiology Laboratory	Elgaali et al. 2002
Prokaryota	Clostridium Difficile		outbreak 2006 UK	Rees et al. 2016
Eukaryota	Lasiodiplodia Pseudotheobromae		NA	Oliveira et al. 2015
Prokaryota	Pseudomonas Fluorescens	Inhibition of mycelium growth and spore germination	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Corrugata	Inhibition of mycelium growth and spore germination	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Chlororaphis	Inhibition of mycelium growth and spore germination	NA	Fernando et al. 2005
Prokaryota	Pseudomonas Aurantiaca	Inhibition of mycelium growth and spore germination	NA	Fernando et al. 2005
Prokaryota	Salmonella Enteritidis	n/a	NA	Arnold and Senter 1998
Prokaryota	Listeria Monocytogenes	n/a	NA	Arnold and Senter 1998
Prokaryota	Enterobacter Cloacae	n/a	NA	Arnold and Senter 1998
Prokaryota	Bacillus Subtilis	antibacterial	soil Malaysia and Tibet, China General Microbial culture center CGMCC	Xie et al. 2018
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021
Eukaryota	Saccharomyces Eubayanus	NA	NA	Mardones et al. 2022
	Bacillus Thuringiensis			Koilybayeva et al. 2023
	Cyberlindnera Fabianii			Ma et al. 2023
	Lactobacillus Plantarum			Ma et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Escherichia Coli	LB	MCC-IMS	no
Prokaryota	Escherichia Coli	tryptic soy broth	SPME/GC-FID	no
Prokaryota	Escherichia Coli	TSB	SPME/GC-MS	no
Prokaryota	Escherichia Coli	BHI	SPME/GC-MS	no
Prokaryota	Escherichia Coli	LB	SPME/GC-MS	no
Eukaryota	Aspergillus Versicolor	ingrain (woodchip)	SIM/GCMS / Tenax	no
Eukaryota	Aspergillus Flavus	SNA media	SPME/GC-MS	no
Prokaryota	Bacillus Mycoides	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Prokaryota	Serratia Fonticola	TSB media, MR-VP (Methyl Red-Vogos Proskeur) media	SPME/GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Escherichia Coli	TSB media	HS-SPME/GC-MS	no
Prokaryota	Microbacterium Paraoxydans	TYB media	GC-MS	no
Prokaryota	Escherichia Coli	LB media	HS-SPME/GC-MS	no
Prokaryota	Serratia Proteamaculans	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Odorifera	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Plymuthica	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Serratia Marcescens	NBII	Headspace trapping/ GC-MS	no
Prokaryota	Escherichia Coli	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column	no
Prokaryota	Klebsiella Pneumoniae	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column	no
Prokaryota	Staphylococcus Aureus	BHI Broth/ TS Broth/Glucose EF base broth	GC-MS /Polar and non-polar GC Column	no
Prokaryota	Citrobacter Freundii	TS broth	GC-MS SPME	yes
Prokaryota	Enterobacter Aerogenes	TS broth	GC-MS SPME	yes
Prokaryota	Enterobacter Cloacae	TS broth	GC-MS SPME	yes
Prokaryota	Escherichia Coli	TS broth	GC-MS SPME	yes
Prokaryota	Salmonella Typhimurium	TS broth	GC-MS SPME	yes
Prokaryota	Salmonella Paratyphi	TS broth	GC-MS SPME	yes
Prokaryota	Shigella Sonnei	TS broth	GC-MS SPME	yes
Prokaryota	Leuconostoc Mesenteroides	TS broth	GC-MS SPME	yes
Prokaryota	Clostridium Difficile	brain heart infusion	GCxGC-TOF-MS	yes
Eukaryota	Lasiodiplodia Pseudotheobromae			no
Prokaryota	Pseudomonas Fluorescens	n/a	n/a	no
Prokaryota	Pseudomonas Corrugata	n/a	n/a	no
Prokaryota	Pseudomonas Chlororaphis	n/a	n/a	no
Prokaryota	Pseudomonas Aurantiaca	n/a	n/a	no
Prokaryota	Salmonella Enteritidis		HS-SPME/GC-MS	no
Prokaryota	Listeria Monocytogenes		HS-SPME/GC-MS	no
Prokaryota	Enterobacter Cloacae		HS-SPME/GC-MS	no
Prokaryota	Bacillus Subtilis	LB	SPME-GC-MS	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no
Eukaryota	Saccharomyces Eubayanus	YPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)	HS‐SPME‐GC‐MS	no
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no
	Cyberlindnera Fabianii	tuna cooking liquid	HS-SPME-GC/MS	no
	Lactobacillus Plantarum	tuna cooking liquid	HS-SPME-GC/MS	no

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 name

hexadecan-3-one

SMILES

CCCCCCCCCCCCCC(=O)CC

Inchi

InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3

Formula

C₁₆H₃₂O

PubChem ID

87789

Molweight

240.42

LogP

6.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

ketones

CHEBI-ID

179365

Supernatural-ID

SN0215018

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP006939

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Staphylococcus Aureus		China Center of Industrial Culture collection	Wang et al. 2018
Eukaryota	Lasiodiplodia Pseudotheobromae		NA	Oliveira et al. 2015

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Staphylococcus Aureus	Sodium chloride broth	SPME, GC-MS	no
Eukaryota	Lasiodiplodia Pseudotheobromae			no

Results for: Species: Lasiodiplodia pseudotheobromae Signature

Octan-1-ol

Compound Details

mVOC Specific Details

Decan-1-ol

Compound Details

mVOC Specific Details

Hexadecan-3-one

Compound Details

mVOC Specific Details

Results for:
Species: Lasiodiplodia pseudotheobromae

Signature