Results for:
Species: Fomes fomentarius

Benzaldehyde

Mass-Spectra

Compound Details

Synonymous names
Phenylmethanal benzenecarboxaldehyde
Benzenecarboxaldehyde
Phenylformaldehyde
PENTADEOTERO BENZALDEHYDE
benzanoaldehyde
Benzenecarbonal
Benzenemethylal
Benzylaldehyde
Phenylmethanal
Phenylmethanone
benzaidehyde
benzaldehvde
benzaldehyde
Benzene carboxaldehyde
Benzyaldehyde
Benzadehyde
benzaldehyd
Benzaldehyde Natural
Benzene carbaldehyde
Natural Benzaldehyde
Aromatic aldehyde
HUMNYLRZRPPJDN-UHFFFAOYSA-N
Benzaldehyde FFC
Benzaldehyde, analytical standard
Benzene methylal
Benzoic aldehyde
Benzoyl hydride
Almond artificial essential oil
Bitter almond
Artificial almond oil
Benzoic acid aldehyde
HBX
Artificial bitter almond oil
bitter almond oil synthetic
(phenyl)methanone
Artificial essential oil of almond
Ben zoyl hydride
Artifical essential oil of almond
2vj1
Benzaldehyde (natural)
Ethereal oil of bitter almonds
SCHEMBL573
Synthetic oil of bitter almond
AC1L18SM
AC1Q6PV7
Benzaldehyde [USAN]
Benzaldehyde, pharmaceutical secondary standard; traceable to USP
Bitter almond oil, synthetic
Oil Of bitter almond
Benzaldehyde (NF)
NATURAL RSTD CASSIA OIL DIST FLAVOR
WLN: VHR
Benzaldehyde, European Pharmacopoeia (EP) Reference Standard
KSC176K2J
ACMC-1C91Y
CHEMBL15972
LS-27
NSC7917
UN1990
B2379
BDBM60953
Benzaldehyde, United States Pharmacopeia (USP) Reference Standard
CTK0H6524
HMDB06115
HSDB 388
nchembio814-comp15
TA269SD04T
BIDD:ER0249
LS41490
RP18863
C00193
C00261
CCRIS 2376
D02314
DSSTox_CID_134
UNII-TA269SD04T
ZINC895145
AK109012
BENZALDEHYDE REACTION PRODUCTS WITH HEPTANAL DISTN. LIGHTS
DTXSID8039241
NA 1989
NSC 7917
NSC-7917
OR035988
OR192667
PL039416
A800226
Benzaldehyde, AR, >=99%
Benzaldehyde, LR, >=99%
CHEBI:17169
NCI-C56133
AJ-24149
ANW-14310
DSSTox_GSID_39241
SC-19173
BDBM50139371
Caswell No. 076
DSSTox_RID_79432
MFCD00003299
MFCD00801585
ZINC00895145
AI3-09931
Benzaldehyde, purified by redistillation, >=99.5%
Benzaldehyde, ReagentPlus(R), >=99%
DB-023673
KB-250682
LT00939687
ST24030100
TC-103055
AKOS000119172
EPA Pesticide Chemical Code 008601
ghl.PD_Mitscher_leg0.170
I01-1667
I14-7330
FEMA No. 2127
FT-0622622
Benzaldehyde, >=98%, FG, FCC
Benzaldehyde, for synthesis, 95.0%
I14-90980
Benzaldehyde, 98% 250g
Benzaldehyde, SAJ special grade, >=98.0%
Tox21_113069
Tox21_113244
Tox21_200634
100-52-7
Ald3-H_000012
Benzaldehyde, Vetec(TM) reagent grade, 98%
F1294-0144
MCULE-7744113682
NCGC00091819-01
NCGC00091819-02
NCGC00091819-03
NCGC00258188-01
Benzaldehyde, natural, >=98%, FCC, FG
CAS-100-52-7
EINECS 202-860-4
55279-75-9
SR-01000944375
Ald3.1-H_000160
Ald3.1-H_000479
Ald3.1-H_000798
5044-EP2269979A1
5044-EP2269990A1
5044-EP2272491A1
5044-EP2272827A1
5044-EP2275404A1
5044-EP2275411A2
5044-EP2275412A1
5044-EP2277858A1
5044-EP2277865A1
5044-EP2277878A1
5044-EP2281818A1
5044-EP2284157A1
5044-EP2286915A2
5044-EP2287152A2
5044-EP2287159A1
5044-EP2289868A1
5044-EP2292593A2
5044-EP2295402A2
5044-EP2295410A1
5044-EP2295441A2
5044-EP2298767A1
5044-EP2298776A1
5044-EP2301534A1
5044-EP2301536A1
5044-EP2301538A1
5044-EP2305625A1
5044-EP2305629A1
5044-EP2305662A1
5044-EP2305679A1
5044-EP2305687A1
5044-EP2305769A2
5044-EP2305808A1
5044-EP2308562A2
5044-EP2311451A1
5044-EP2311455A1
5044-EP2311806A2
5044-EP2311840A1
5044-EP2314295A1
5044-EP2314586A1
5044-EP2314587A1
5044-EP2314593A1
5044-EP2316450A1
5044-EP2316832A1
5044-EP2316833A1
5044-EP2371831A1
5044-EP2374454A1
5044-EP2374783A1
5044-EP2377841A1
5044-EP2380871A1
Benzaldehyde, purum, >=98.0% (GC)
53585-EP2305651A1
53585-EP2308854A1
Benzaldehyde [UN1990] [Class 9]
Benzaldehyde on polystyrene, 0.8-1.5 mmol/g
125826-EP2287158A1
125826-EP2295422A2
SR-01000944375-1
Benzaldehyde [UN1990] [Class 9]
Benzaldehyde, puriss. p.a., >=99.0% (GC)
InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6
Microorganism:

Yes

IUPAC namebenzaldehyde
SMILESC1=CC=C(C=C1)C=O
InchiInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
FormulaC7H6O
PubChem ID240
Molweight106.124
LogP1.69
Atoms14
Bonds14
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids Aldehydes Aldehyde

mVOC Specific Details

Volatilization
The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde 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 1.5 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 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 30, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.27 mm Hg at 25 deg CAmbrose D et al; J Chem Therm 7: 1143-57 (1975)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAlcaligenes FaecalisInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaArthrobacter NitroguajacoliusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaBacillus Amyloliquefaciens FZB42Agriculture University of Nanjing, ChinaTahir et al. 2026
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Spp.Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBranhamella CatatthalisclinicPreti., 2009
BacteriaBurkholderia Sp. AD24bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaChryseobacterium Sp. AD48nanaTyc et al., 2015
BacteriaCitrobacter FreundiiAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/aDickschat et al., 2005_3
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/aDickschat et al., 2005_3
BacteriaHaemophilus InfluenzaeclinicPreti., 2009
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaKlebsiella PneumoniaeAmerican Type Culture Collection Robacker and Bartelt 1997
BacteriaLactobacillus Casei NCIB 8010n/aTracey and Britz, 1989
BacteriaLactobacillus Helveticus CIRM449nayoghurtPogačić et al., 2016
BacteriaLactobacillus Plantarumn/aSchulz and Dickschat, 2007
BacteriaLactobacillus Plantarum NCIB 6376n/aTracey and Britz, 1989
BacteriaLactococcus Lactis DSM 20202n/aTracey and Britz, 1989
BacteriaLeuconostoc Cremoris DSM 20346n/aTracey and Britz, 1989
BacteriaLeuconostoc Dextranicum DSM 20484n/aTracey and Britz, 1989
BacteriaLeuconostoc Mesenteroides DSM 20343n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos B66n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 19n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 30n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 36n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 37Dn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos 7Bn/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20252n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20255n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos DSM 20257n/aTracey and Britz, 1989
BacteriaLeuconostoc Oenos Lc5xn/aTracey and Britz, 1989
BacteriaLeuconostoc Paramesenteroides DSM 20288n/aTracey and Britz, 1989
BacteriaLysobacter GummosusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaOctadecabacter Sp. ARK10255bn/aDickschat et al., 2005_3
BacteriaPaenibacillus Sp. AD87bacterial interationsrhizosphere and bulk soil of Carex arenariaTyc et al. 2017
BacteriaPediococcus Damnosus DSM 20331n/aTracey and Britz, 1989
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPseudomonas Aurantiacan/aFernando et al., 2005
BacteriaPseudomonas Chlororaphisn/aFernando et al., 2005
BacteriaPseudomonas Corrugaten/aFernando et al., 2005
BacteriaPseudomonas Fluorescensn/aFernando et al., 2005
BacteriaPseudomonas Fluorescens ALEB7Bpromotes volatile oil accumulation, activating plant defensefrom geo-authentic Atractylodes lanceaZhou et al., 2016
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Veronii R02narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSporosarcina GinsengisoliInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaStenotrophomonas MaltophiliaInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaStigmatella Aurantiaca DW4/3-1n/aDickschat et al., 2005_5
BacteriaStigmatella Aurantiaca Sg A15n/aDickschat et al., 2005_5
BacteriaStreptococcus PneumoniaeclinicPreti., 2009
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
BacteriaTsukamurella Sp. AD106nanaTyc et al., 2015
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
Fungi Aspergillus Sp.Takeuchi et al. 2013
FungiBjerkandera Adusta CBS 595.78n/aLapadatescu et al., 2000
Fungi Botrytis Sp.Kikuchi et al 1983
Fungi Fomes FomentariusFäldt et al. 1999
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
Fungi Fusarium Spp.Takeuchi et al. 2013
Fungi Penicillium SppTakeuchi et al. 2012
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
Fungi Pleurotus OstreatusBeltran-Garcia et al. 1997
FungiPolyporus Tuberaster K2606Kawabe et al. 1994
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiTrichodema Viriden/aWheatley et al., 1997
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
Fungi Bjerkandera AdustaSpinnler at al. 1997
FungiTuber IndicumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAlcaligenes Faecalisn/an/a
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaBacillus Amyloliquefaciens FZB42LBSPME-GC-MSno
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaBranhamella CatatthalisBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaBurkholderia Sp. AD24TSBAGC-Q-TOFno
BacteriaChryseobacterium Sp. AD48Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaCitrobacter Freundiitryptic soy broth SPME, GC-MSyes
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10223n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10063n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10146n/an/a
BacteriaCytophaga-Flavobacterium-Bacteroides Group Strain ARK 10267n/an/a
BacteriaHaemophilus InfluenzaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaKlebsiella Pneumoniaetryptic soy broth SPME, GC-MSyes
BacteriaLactobacillus Casei NCIB 8010n/an/a
BacteriaLactobacillus Helveticus CIRM449curd-based broth mediumGC/MSYes
BacteriaLactobacillus Plantarumn/an/a
BacteriaLactobacillus Plantarum NCIB 6376n/an/a
BacteriaLactococcus Lactis DSM 20202n/an/a
BacteriaLeuconostoc Cremoris DSM 20346n/an/a
BacteriaLeuconostoc Dextranicum DSM 20484n/an/a
BacteriaLeuconostoc Mesenteroides DSM 20343n/an/a
BacteriaLeuconostoc Oenos B66n/an/a
BacteriaLeuconostoc Oenos 19n/an/a
BacteriaLeuconostoc Oenos 30n/an/a
BacteriaLeuconostoc Oenos 36n/an/a
BacteriaLeuconostoc Oenos 37Dn/an/a
BacteriaLeuconostoc Oenos 7Bn/an/a
BacteriaLeuconostoc Oenos DSM 20252n/an/a
BacteriaLeuconostoc Oenos DSM 20255n/an/a
BacteriaLeuconostoc Oenos DSM 20257n/an/a
BacteriaLeuconostoc Oenos Lc5xn/an/a
BacteriaLeuconostoc Paramesenteroides DSM 20288n/an/a
BacteriaLysobacter Gummosusn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaOctadecabacter Sp. ARK10255bn/an/a
BacteriaPaenibacillus Sp. AD87TSBAGC-Q-TOFno
BacteriaPediococcus Damnosus DSM 20331n/an/a
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaPseudomonas Aurantiacan/an/a
BacteriaPseudomonas Chlororaphisn/an/a
BacteriaPseudomonas Corrugaten/an/a
BacteriaPseudomonas Fluorescensn/an/a
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaSerratia Marcescensn/an/a
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStigmatella Aurantiaca DW4/3-1n/an/a
BacteriaStigmatella Aurantiaca Sg A15n/an/a
BacteriaStreptococcus PneumoniaeBlood agar/chocolate blood agaHS-SPME/GC-MS no
BacteriaStreptomyces Lateritiusn/an/a
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
BacteriaTsukamurella Sp. AD106Tryptic soy broth agarGC/MS-Q-TOFNo
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
Fungi Aspergillus Sp.no
FungiBjerkandera Adusta CBS 595.78Minimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.
Fungi Botrytis Sp.no
Fungi Fomes Fomentariusno
FungiFomitopsis PinicolanaGC/MSNo
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
Fungi Fusarium Spp.no
Fungi Penicillium Sppno
FungiPiptoporus BetulinusnaGC/MSNo
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
Fungi Pleurotus Ostreatusno
FungiPolyporus Tuberaster K2606PGYGC-MSno
FungiTrametes SuaveolensnaGC/MSNo
FungiTrichodema VirideMalt extractGC/MS
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/an/a
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
Fungi Bjerkandera Adustano
FungiTuber IndicumNoneNoneYes
FungiTuber MelanosporumNoneNoneYes


Compound Details

Synonymous names
Caprylaldehyde
Caprylaldehyd
Kaprylaldehyd
Octanaldehyde
Octylaldehyd
OCTYLALDEHYDE
Oktylaldehyd
Octaldehyde
Caprylic aldehyde
NUJGJRNETVAIRJ-UHFFFAOYSA-N
Octanoic aldehyde
Albumin tannate
n-Caprylaldehyde
n-Octanaldehyde
Octanal
Octyl aldehydes
Oktanal
n-Octaldehyde
Octyl aldehyde
1-Caprylaldehyde
Antifoam-LF
1-Octylaldehyde
n-CAPRYLIC ALDEHYDE
n-Octanal
n-Octylal
Octanal, analytical standard
1-Octaldehyde
n-Octyl aldehyde
Aldehyde C8
1-octanal
Octanal, tech
AC1Q2VW5
n -octanal
ACMC-1BNV4
Octanal (natural)
AC1L199S
ALDEHIDO C-8
Aldehyde C-8
C-8 aldehyde
KSC176O0J
U306
CHEMBL18407
NSC1508
NSC8969
octan-1-al
Octanal, tech.
SCHEMBL28601
CTK0H6704
HMDB01140
O0044
Octanal, 99%
QSPL 183
WLN: VH7
NE10467
RP19811
bmse000851
C01545
HSDB 5147
XGE9999H19
DTXSID3021643
LP070181
LS-2994
NSC 1508
NSC-1508
NSC-8969
SBB059871
CHEBI:17935
DSSTox_CID_1643
UNII-XGE9999H19
ZINC1529222
AN-43519
ANW-18192
DSSTox_GSID_21643
KB-59271
TRA0069032
BDBM50028817
DSSTox_RID_76257
LMFA06000028
MFCD00007029
AI3-03961
DB-046356
RTR-003752
ST51046136
TR-003752
AKOS009031567
J-660019
Q-200605
BRN 1744086
FEMA No. 2797
FT-0626917
FT-0631629
FT-0631722
FT-0673199
I14-13649
EN300-19768
Tox21_201415
Tox21_300337
124-13-0
Octanal, >=95%, FCC, FG
MCULE-7111365457
NCGC00247997-01
NCGC00247997-02
NCGC00254427-01
NCGC00258966-01
CAS-124-13-0
EINECS 204-683-8
Octanal, natural, >=95%, FCC, FG
MolPort-001-783-783
97569-EP2305662A1
97569-EP2374783A1
97569-EP2377841A1
97723-EP2287158A1
97723-EP2305662A1
4-01-00-03337 (Beilstein Handbook Reference)
InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H
Microorganism:

Yes

IUPAC nameoctanal
SMILESCCCCCCCC=O
InchiInChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
FormulaC8H16O
PubChem ID454
Molweight128.215
LogP2.54
Atoms25
Bonds24
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAldehydes

mVOC Specific Details

Boiling Point
DegreeReference
171 deg CLide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-402
Volatilization
The Henry's Law constant for octylaldehyde is 5.14X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that octylaldehyde 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 5 hrs(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 5 days(SRC). Octylaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of octylaldehyde from dry soil surfaces may exist based upon a vapor pressure of 1.18 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. Design Inst Phys Prop Data, Amer Inst Chem Eng. Hemisphere Publ Corp, NY, NY, 4 Vol (1987)
Soil Adsorption
The Koc of octylaldehyde is estimated as 130(SRC), using a water solubility of 560 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that octylaldehyde is expected to have high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. V5. College of Pharmacy, University of Arizona-Tucson, AZ. PC Version (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.18 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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCalothrix Sp.n/aHoeckelmann et al., 2004
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaLactobacillus Rhamnosus CIRM1436naDomiati cheesePogačić et al., 2016
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaPlectonema Notatumn/aHoeckelmann et al., 2004
BacteriaPlectonema Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
BacteriaTolypothrix Distortan/aHoeckelmann et al., 2004
FungiFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
FungiTrichoderma VirideHung et al., 2013
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCalothrix Sp.n/an/a
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaLactobacillus Rhamnosus CIRM1436curd-based broth mediumGC/MSYes
BacteriaPhormidium Sp.n/an/a
BacteriaPlectonema Notatumn/an/a
BacteriaPlectonema Sp.n/an/a
BacteriaRivularia Sp.n/an/a
BacteriaTolypothrix Distortan/an/a
FungiFomes FomentariusGC-MS (SIM)yes
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS


Octan-1-ol

Mass-Spectra

Compound Details

Synonymous names
octylalcohol
KBPLFHHGFOOTCA-UHFFFAOYSA-N
caprylic alcohol
Heptyl carbinol
octanol
Octilin
Capryl alcohol
Octyl alcohol
octyl-alcohol
Primary octyl alcohol
1-Hydroxyoctane
1-hydroxyoctyl
n-Caprylic alcohol
N-octanol
Octyl alcohol normal-primary
AC1L1AEQ
n-Capryl alcohol
n-Heptyl carbinol
OC9
Alcohol C8
C8 alcohol
n-Octyl alcohol
N-octyl-alcohol
1-octanol
1-Oktanol
Lorol C8
Octyl alcohol, primary
Sipol L8
1-Octyl alcohol
2-Capryl alcohol
AC1Q2WB6
Alfol 8
EPAL 8
Octyl alcohol, normal-primary
Off-Shoot T
Off-shoot-T
Prim-n-octyl alcohol
SCHEMBL8822
1-Octanol, analytical standard
Alcohol C-8
Alcohol, C8
Fair 85
GTPL4278
KSC176Q9D
Lorol 20
CHEMBL26215
NSC9823
Octan-1-ol
Octyl alcohol (natural)
BDBM22606
c0045
CTK0H6891
Fatty alcohol(C8)
HMDB01183
HSDB 700
O0036
O0212
Octanol (all isomers)
WLN: Q8
Dytol M-83
RL00475
2-Octanol ~99%
bmse000970
bmse000980
C00756
C6-12 Alcohols
CCRIS 9099
Emery 3322
Emery 3324
HMS3039O07
n-Octan-1-ol
C6-C12 Alkyl alcohol
DTXSID7021940
FEMA Number 2800
LP064439
LP069551
LS-2996
NSC 9823
NSC-9823
octan-1-ol;
Octanol-(1)
OR000625
SBB059902
STL264193
UNII-6X61I5U3A4 component KBPLFHHGFOOTCA-UHFFFAOYSA-N
ACMC-2099b5
CHEBI:16188
DSSTox_CID_1940
ZINC1532735
AN-43095
ANW-16335
BP-21329
Caswell No. 456E
Caswell No. 611A
DSSTox_GSID_21940
EBD2203381
NV1779205D
TRA0009495
Alcohols, C6-12
DSSTox_RID_76416
LMFA05000130
MFCD00002988
AI3-02169
Lorol C 8-98
RTR-002327
ST51046170
TR-002327
UNII-NV1779205D
1-Octanol, ACS spectrophotometric grade, >=99%
AKOS000120100
EPA Pesticide Chemical Code 079029
EPA Pesticide Chemical Code 079037
J-002650
1-Octanol, anhydrous, >=99%
FEMA No. 2800
FT-0608179
MLS001055318
SMR000673567
I14-17870
(C6-C12) Alkyl alcohol
Tox21_201373
Tox21_300096
1-Octanol, ACS reagent, >=99%
111-87-5
F0001-0248
Mixed fatty alcohols (C6-C12)
Z1262253001
1-Octanol, for HPLC, >=99%
MCULE-2656577895
NCGC00091003-01
NCGC00091003-02
NCGC00091003-03
NCGC00091003-04
NCGC00091003-05
NCGC00254099-01
NCGC00258924-01
Octan-2-ol 98+ %
CAS-111-87-5
EINECS 203-917-6
EINECS 266-920-1
EINECS 271-642-9
1-Octanol, natural, >=98%, FCC
1-Octanol, ReagentPlus(R), 99%
12676-73-2
67700-96-3
68603-15-6
SDA 13-060-00
220713-26-8
1-Octanol, >=98%, FCC, FG
1-Octanol, 99% 500ml
MolPort-001-787-163
1-Octanol, JIS special grade, >=98.0%
1-Octanol, SAJ first grade, >=75.0%
1-Octanol, Vetec(TM) reagent grade, 98%
81301-EP2270018A1
81301-EP2272817A1
81301-EP2289891A2
81301-EP2305687A1
81301-EP2305825A1
81301-EP2380568A1
Alcohols, C8-18 and C18-unsatd.
103517-EP2270018A1
103517-EP2275416A1
103517-EP2287158A1
103517-EP2298313A1
103517-EP2301924A1
(C8-C18) and (C18) Unsaturatedalkyl alcohol
1-Octanol, puriss., >=99.5% (GC)
958E4752-AAC3-4F72-A0BF-02D95F9E8071
InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H
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
Molweight130.231
LogP2.58
Atoms27
Bonds26
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols Alcohol

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
BacteriaCitrobacter Freundii ATCC 33128American 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
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaEnterobacter Aerogenes ATCC 13048American 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
BacteriaEnterobacter Cloacae ATCC 13047American 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
BacteriaEscherichia Colin/aTait et al., 2014
BacteriaEscherichia Coli ATCC 25922American 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
BacteriaKlebsiella Pneumoniaen/aTait et al., 2014
BacteriaSalmonella Paratyphi KYAmerican 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
BacteriaSalmonella Typhimurium ATCC 14082American 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
BacteriaSerratia Marcescens Db11n/aWeise et al., 2014
BacteriaSerratia Plymuthica AS9n/aWeise et al., 2014
BacteriaShigella Flexneri CGCMCC 1.1868China Center of Industrial culture Collection, China General Microbiological Culture Collection CenterChen et Al. 2016
BacteriaShigella Sonnei ATCCV 25931American 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
BacteriaStaphylococcus Aureusn/aTait et al., 2014
Fungi Ascocoryne SpGriffin et al. 2014
FungiAspergillus Flavusn/aStotzky and Schenk, 1976
FungiFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
Fungi Fusarium CulmorumSavel’eva et al 2018
Fungi Lasiodioplodia PseudotheobromaeOliveira et al. 2017
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiTuber Indicumn/aSplivallo et al., 2007
FungiTuber Melanosporumn/aSplivallo et al., 2007
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
BacteriaEnterobacter Cloacaen/aArnold and Senter, 1998
BacteriaSalmonella Enteritidisn/aArnold and Senter, 1998
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
FungiTrichoderma Viriden/aHung et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaArthrobacter Agilis UMCV2LB mediumSPME-GC/MSNo
BacteriaCitrobacter Freundii ATCC 33128TS brothGC-MS SPMEyes
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaEnterobacter Aerogenes ATCC 13048TS brothGC-MS SPMEyes
BacteriaEnterobacter Cloacae ATCC 13047TS brothGC-MS SPMEyes
BacteriaEscherichia ColiBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaEscherichia Coli ATCC 25922TS brothGC-MS SPMEyes
BacteriaKlebsiella PneumoniaeBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
BacteriaSalmonella Paratyphi KYTS brothGC-MS SPMEyes
BacteriaSalmonella Typhimurium ATCC 14082TS brothGC-MS SPMEyes
BacteriaSerratia Marcescens Db11NBIIHeadspace trapping/ GC-MS
BacteriaSerratia Plymuthica AS9NBIIHeadspace trapping/ GC-MS
BacteriaShigella Flexneri CGCMCC 1.1868Trypticase Soy Broth (TSB)HS-SPME/'GC-MSno
BacteriaShigella Sonnei ATCCV 25931TS brothGC-MS SPMEyes
BacteriaStaphylococcus AureusBHI Broth/ TS Broth/Glucose EF base brothGC-MS /Polar and non-polar GC Column
Fungi Ascocoryne Spno
FungiAspergillus Flavusn/an/a
FungiFomes FomentariusGC-MS (SIM)yes
FungiFomitopsis PinicolanaGC/MSNo
Fungi Fusarium Culmorumno
Fungi Lasiodioplodia Pseudotheobromaeno
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
FungiPiptoporus BetulinusnaGC/MSNo
FungiTuber Indicumn/an/a
FungiTuber Melanosporumn/an/a
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo
BacteriaEnterobacter CloacaeHS-SPME/GC-MS
BacteriaSalmonella EnteritidisHS-SPME/GC-MS
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MS


Octan-3-ol

Mass-Spectra

Compound Details

Synonymous names
Amylethylcarbinol
Ethylamylcarbinol
Ethylhexyl alcohol
NMRPBPVERJPACX-UHFFFAOYSA-N
Ethyl-n-amylcarbinol
1-Ethylhexanol
Ethyl amyl carbinol
Amyl ethyl carbinol
AC1L1XJY
3-OCTANOL
Octanol, mixed isomers
Octanol-3
D-n-Octanol
ACMC-20apgg
3-Octyl Alcohol
Octyl alcohol, mixed isomers
ACMC-1BL6Z
3-Octanol, analytical standard
dl-3-Octanol
8768AB
Octan-3-ol
CTK1H2870
O0121
CHEMBL487998
SCHEMBL112339
n-Octan-3-ol
C17144
AK116654
LS-2998
LP084019
3-Octanol (natural)
OR019894
SBB059904
CHEBI:80945
A814407
ANW-33110
AN-25289
AN-21522
LS-98139
MFCD00004590
(S)-3-Octanol
LMFA05000568
3-Octanol, 99%
TR-037191
ST51046171
ST24048830
KB-183851
AI3-37213
AKOS009156959
I14-1163
I14-6310
FT-0616281
BRN 1697461
FT-0616280
FEMA No. 3581
589-98-0
(1)-Octan-3-ol
MCULE-6682377557
EINECS 209-667-4
EINECS 249-405-6
EINECS 243-713-4
29063-28-3
20296-29-1
3-Octanol, >=97%, FCC, FG
MolPort-001-759-253
3-Octanol, natural, >=97%, FCC, FG
4-01-00-01756 (Beilstein Handbook Reference)
Microorganism:

Yes

IUPAC nameoctan-3-ol
SMILESCCCCCC(CC)O
InchiInChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3
FormulaC8H18O
PubChem ID11527
Molweight130.231
LogP2.63
Atoms27
Bonds26
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFusarium SpPierce et al. 1991
FungiPenicillium CorymbiferumPierce et al. 1991
FungiScolulariopsis BrevicaulisPierce et al. 1991
FungiNoneFortywoodland of the Basilicata regionMauriello et al., 2004
FungiAspergillus Flavusn/aStotzky and Schenk, 1976
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Ornatusn/aMeruva et al., 2004
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiAspergillus SydowiinanaSteiner et al., 2007
FungiAspergillus UstusPolizzi et al., 2012
FungiAspergillus VersicolornanaSteiner et al., 2007
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiPencillium ChrysogenumNoneNoneMeruva et al., 2004
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiPenicillium Paneum (Conidia)n/aChitarra et al., 2004
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
Fungi Trametes VersicolorDrilling and Dettner 2009
FungiTrichoderma AtrovirideCrutcher et al., 2013
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma ReeseiCrutcher et al., 2013
FungiTrichoderma VirensCrutcher et al., 2013
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber BorchiiInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Melanosporumn/aSplivallo et al., 2007
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
FungiPleurotus Sajor-cajunanaÇağlarırmak et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFusarium SpGC-FIDyes
FungiPenicillium CorymbiferumGC-FIDyes
FungiScolulariopsis BrevicaulisGC-FIDyes
FungiNonemicroextraction–gas chromatography–mass spectrometry analysis (SPME–GC–MS)No
FungiAspergillus Flavusn/an/a
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus OrnatusPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus SydowiinaGC/MSNo
FungiAspergillus Ustusmalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS
FungiAspergillus VersicolornaGC/MSNo
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiFomes FomentariusGC-MS (SIM)yes
FungiFomitopsis PinicolanaGC/MSNo
FungiPencillium ChrysogenumPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium ChrysogenumPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPenicillium Paneum (Conidia)Malt extract mediumHeadspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
FungiPiptoporus BetulinusnaGC/MSNo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
Fungi Trametes Versicolorno
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS no
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS no
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Borchiin/an/a
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Melanosporumn/an/a
FungiTuber Uncinatumn/aSPME-GC-MS
FungiPleurotus Sajor-cajunaGC/MSNo


Oct-1-en-3-ol

Mass-Spectra

Compound Details

Synonymous names
Pentylvinylcarbinol
Amylvinylcarbinol
Flowtron mosquito attractant
VSMOENVRRABVKN-UHFFFAOYSA-N
Matsutake alcohol
Morillol
Matsuica alcohol
Matsuika alcohol
Mushroom alcohol
Vinyl hexanol
Vinyl pentyl carbinol
Pentyl vinyl carbinol
Vinyl amyl carbinol
Amyl vinyl carbinol
1-Vinylhexanol
AC1L2CVX
ACMC-20apfw
Matsutake alcohol [Japanese]
ACMC-1CNY7
KSC223I9P
Octen-3-ol
SCHEMBL41968
CTK1C3497
O0159
ACT05316
NSC87563
3-Hydroxy-1-octene
C14272
CCRIS 8804
OR020369
DTXSID3035214
Jsp006175
LP030603
LS-3002
WLN: QY5&1U1
CHEMBL3183573
AK164470
1-Octene-3-ol
octene-1-ol-3
CHEBI:34118
AN-18986
1-Okten-3-ol
NSC-87563
NSC 87563
SC-18002
ANW-27735
TRA0097596
DSSTox_GSID_35214
1-OCTEN-3-OL
1 Octen 3 OL
DSSTox_CID_15214
LMFA05000090
DSSTox_RID_79250
MFCD00004589
RTC-020285
DB-003193
AI3-28627
TC-020285
I14-1194
Q-100412
1-Octen-3-ol, analytical standard
EPA Pesticide Chemical Code 069037
AKOS009157412
Oct-1-ene-3-ol
I14-1157
1 -Octen-3-ol
Oct-1-en-3-ol
FEMA No. 2805
FT-0608181
BRN 1744110
Nat. 1-Octen-3-ol
Tox21_302039
n-Oct-1-en-3-ol
1-Octen-3-ol (natural)
NCGC00255686-01
1-Okten-3-ol [Czech]
3191-86-4
3391-86-4
EINECS 222-226-0
1-Octen-3-ol, 98%
50999-79-6
CAS-3391-86-4
MolPort-001-782-881
1-Octen-3-ol, natural, >=95%, FG
1-Octen-3-ol, 98% 10g
1-Octen-3-ol, >=98%, FCC, FG
Microorganism:

Yes

IUPAC nameoct-1-en-3-ol
SMILESCCCCCC(C=C)O
InchiInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
FormulaC8H16O
PubChem ID18827
Molweight128.215
LogP2.49
Atoms25
Bonds24
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlcohols alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
Fungin/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiNoneFortywoodland of the Basilicata regionMauriello et al., 2004
FungiAgaricus Bisporusn/aBerendsen et al., 2013
FungiAgaricus Bisporus A15Sylvan, UKCombet et al. 2009
FungiArmillaria Mellean/aMueller et al., 2013
FungiAscocoryne Sarcoides NRRL 50072n/aMallette et al. 2012
FungiAspergillus Candiduscompost Fischer et al. 2056
FungiAspergillus Flavusn/aStotzky and Schenk, 1976
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 3357Japan Collection of Microorganisms at Riken Bioresource CenterMiyamoto et al. 2014
FungiAspergillus Nigern/aMeruva et al., 2004
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Ornatusn/aMeruva et al., 2004
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiAspergillus SydowiinanaSteiner et al., 2007
FungiAspergillus UstusPolizzi et al., 2012
FungiAspergillus VersicolornanaSteiner et al., 2007
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiAspergillus Vesicolorcompost Fischer et al. 2056
FungiBoletus EdulisZawirksa-Wojtasiak 2004
FungiCoriolus Versicolorcolonized beetleGuevara et al 2000
FungiEmericella Nidulanscompost Fischer et al. 2056
FungiFistulina HepaticaWu et al. 2005
FungiFomes FomentariusFäldt et al. 1999
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiFusarium Spp.Savel’eva et al. 2014
FungiGanoderma Adspersumcolonized beetleGuevara et al 2000
FungiGleophyllum OdoratumnaSachsenwald near HamburgRösecke et al., 2000
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiLentinus EdodesZawirksa-Wojtasiak 2004
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
FungiNeurospora Sitophila ATCC 46892n/aPastore et al.,1994
FungiNeurospora Sp.n/aPastore et al., 1994
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPencillium ChrysogenumNoneNoneMeruva et al., 2004
FungiPenicillium Aurantiogriseumn/aBoerjesson et al., 1990
FungiPenicillium Brevicompactumcompost Fischer et al. 2056
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiPenicillium Paneum (Conidia)n/aChitarra et al., 2004
FungiPenicillium PolonicumPolizzi et al., 2012
FungiPenicillium SppKaminski et al. 1974
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiPholiota Squarrosan/aMueller et al., 2013
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiPleurotus OstreatusBeltran-Garcia et al. 1997
FungiRhizoctonia Solani AG2-2 IIIBcollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
FungiRhizopus Stolonifern/aMeruva et al., 2004
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiTrichoderma Atroviriden/aCrutcher et al., 2013
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma Reesein/aCrutcher et al., 2013
Fungi Trichoderma SppNemcovic et al. 2008
FungiTrichoderma Virensn/aCrutcher et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
FungiTricholoma MatsutakeMurahashi S. 1938
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber BorchiiInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Indicumn/aSplivallo et al., 2007
FungiTuber Indicum AM406672Piedmont northern Italy; Yunnan and Sichuan, ChinaSplivallo et al. 2007
FungiTuber Melanosporumn/aSplivallo et al., 2007
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
FungiVerticillium Longisporumn/aMueller et al., 2013
Fungi Verticilliumspp.Bengtsson et al 1991
FungiAspergillus VersicolorSchleibinger et al.,2005
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Sp.n/aBjurman et al., 1997
FungiTuber BorchiiAroma active compound in Tuber melanosporum, Tuber aestivum syn Tuber uncinatum, Tuber himalayense, Tuber indicum and Tuber sinensenaSplivallo and Ebeler 2015
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV 357n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaCyanobacterian/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a
Fungin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiNonemicroextraction–gas chromatography–mass spectrometry analysis (SPME–GC–MS)No
FungiAgaricus Bisporus
FungiAgaricus Bisporus A15comkposted wheat strawGC-MS / SPMEyes
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAscocoryne Sarcoides NRRL 50072Minimal mediumPTR-MS and SPME GC-MS
FungiAspergillus Candidusyest extract sucroseTenax/GC-MSno
FungiAspergillus Flavusn/an/a
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 3357glucose minimal mediumSPME; GC-MSno
FungiAspergillus NigerPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus OrnatusPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus SydowiinaGC/MSNo
FungiAspergillus Ustusmalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS
FungiAspergillus VersicolornaGC/MSNo
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiAspergillus Vesicoloryest extract sucroseTenax/GC-MSno
FungiBoletus Edulisno
FungiCoriolus Versicolorsteam destillation, GC-MSno
FungiEmericella Nidulansyest extract sucroseTenax/GC-MSno
FungiFistulina HepaticaHRGC-MS,; DB5;ZB Waxno
FungiFomes Fomentariusno
FungiFomitopsis PinicolanaGC/MSNo
FungiFusarium Spp.no
FungiGanoderma Adspersumsteam destillation, GC-Mno
FungiGleophyllum OdoratumnaGC/MSNo
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiLentinus Edodesno
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
FungiNeurospora Sitophila ATCC 46892Malt extractHeadspace/gas chromatography
FungiNeurospora Sp.potato dextrose agardynamic headspace/gas chromatography
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPencillium ChrysogenumPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium Aurantiogriseumn/an/a
FungiPenicillium Brevicompactumyest extract sucroseTenax/GC-MSno
FungiPenicillium ChrysogenumPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPenicillium Paneum (Conidia)Malt extract mediumHeadspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
FungiPenicillium Polonicummalt extract agar (MEA), wallpaper, plasterboardSPME/GC-MS
FungiPenicillium Sppgas-liquid chromatographyno
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPiptoporus BetulinusnaGC/MSNo
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiPleurotus Ostreatusno
FungiRhizoctonia Solani AG2-2 IIIBPotato Dextrose Agar7Tenax TA / TDGC-MSyes
FungiRhizopus StoloniferPotato dextrose agar and tobacco products.Closedloop stripping analysis and GC/TOF-MS.
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrametes SuaveolensnaGC/MSNo
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS
Fungi Trichoderma Sppno
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTricholoma Matsutakeno
FungiTuber Aestivumn/an/a
FungiTuber Borchiin/an/a
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Indicumn/an/a
FungiTuber Indicum AM406672GC-MSyes
FungiTuber Melanosporumn/an/a
FungiTuber Uncinatumn/aSPME-GC-MS
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
Fungi Verticilliumspp.no
FungiAspergillus Versicoloringrain wallpaperGC/MS-SIMYes
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium Sp.n/an/a
FungiTuber BorchiinaSPME-GC/MS/O); GC-RYes
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV 357yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS


Oct-1-en-3-one

Compound Details

Synonymous names
KLTVSWGXIAYTHO-UHFFFAOYSA-N
Pentyl vinyl ketone
Vinyl amyl ketone
Amyl vinyl ketone
AC1Q5BIF
ACMC-1ARSW
n-pentyl vinyl ketone
7LT7Z4Q9XR
KSC236C1F
AC1L1V23
UNII-7LT7Z4Q9XR
SCHEMBL84084
CTK1D6112
O0382
LP029867
AK164478
OR022974
DTXSID5047162
CHEMBL3186486
1-OCTEN-3-ONE
ZINC1850834
1-octene-3-one
A826166
CHEBI:88900
CJ-07236
DSSTox_GSID_47162
AB1005952
CJ-30530
KB-13041
MFCD00036558
ZINC01850834
LMFA12000011
DSSTox_RID_82163
DSSTox_CID_27162
AI3-37821
LS-179663
DB-003194
n-Amyl vinyl ketone; n-Pentyl vinyl ketone
TC-020284
1-Octen-3-one, analytical standard
RTC-020284
I14-6306
AKOS007930624
Oct-1-en-3-one
FT-0608182
FEMA No. 3515
Tox21_302710
NCGC00256809-01
4312-99-6
EINECS 224-327-5
1-Octen-3-one, 96%
CAS-4312-99-6
MolPort-003-960-136
1-octen-3-one (50% in 1-octen-3-ol)
1-Octen-3-one, 50 wt. % in 1-octen-3-ol, stabilized, FG
Microorganism:

Yes

IUPAC nameoct-1-en-3-one
SMILESCCCCCC(=O)C=C
InchiInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
FormulaC8H14O
PubChem ID61346
Molweight126.199
LogP2.9
Atoms23
Bonds22
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAlkenes Ketones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFusarium SpPierce et al. 1991
FungiPenicillium CorymbiferumPierce et al. 1991
FungiScolulariopsis BrevicaulisPierce et al. 1991
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCalothrix Parietina PCC 6303n/aHoeckelmann et al., 2004
BacteriaCyanobacterian/aHoeckelmann et al., 2004
BacteriaPhormidium Sp.n/aHoeckelmann et al., 2004
BacteriaRivularia Sp.n/aHoeckelmann et al., 2004
FungiFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
FungiTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al., 2010
FungiTuber AestivumnaTarsul (as normal forest); Daix (man made orchard)Molinier et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFusarium SpGC-FIDyes
FungiPenicillium CorymbiferumGC-FIDyes
FungiScolulariopsis BrevicaulisGC-FIDyes
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCalothrix Parietina PCC 6303n/an/a
BacteriaCyanobacterian/an/a
BacteriaPhormidium Sp.n/an/a
BacteriaRivularia Sp.n/an/a
FungiFomes FomentariusGC-MS (SIM)yes
FungiTuber Aestivumn/aGas chromatography-olfactometry (GC-O)
FungiTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)
FungiTuber AestivumnaSPME-GC/MSNo


Octan-3-one

Mass-Spectra

Compound Details

Synonymous names
methylheptanone
RHLVCLIPMVJYKS-UHFFFAOYSA-N
EAK
Ethyl pentyl ketone
Ethyl n-amylketone
Amyl ethyl ketone
Ethyl amyl ketone
AC1L6IPW
3-Octanone
3-Oxooctane
Ethyl n-pentyl ketone
1-ethyl hexanal
n-AMYL ETHYL KETONE
Ethyl n-amyl ketone
ACMC-1BU3I
SCHEMBL5593
3-Octanone, analytical standard
KSC176O3D
octan-6-one
Octan-3-one
n-Octanone-3
octane-3-one
UN2271
O0122
CTK0H6731
NSC60161
HSDB 5371
WLN: 5V2
CCRIS 8808
C17145
OR037461
Jsp000594
BBL011431
DTXSID3041954
LP029973
SBB060388
CHEMBL2269087
STL146538
LS-3000
3-Octanone (natural)
2-Heptanone, methyl-
ZINC1690036
A801482
CHEBI:80946
3-Octanone, >=98%
AN-22443
ANW-15422
TRA0051773
NSC 60161
CJ-06451
NSC-60161
DSSTox_GSID_41954
LMFA12000055
DSSTox_CID_21954
ZINC01690036
MFCD00009515
BB_SC-6904
DSSTox_RID_79883
TR-001329
AI3-36116
RTR-001329
KB-183852
ST51046578
AKOS005720776
J-001627
I14-4168
FEMA No. 2803
FT-0694662
FT-0616282
BRN 1700021
79173B4107
Tox21_301208
UNII-79173B4107
3-Octanone, >=98%, FG
106-68-3
NCGC00255105-01
NCGC00248338-01
MCULE-2012071553
EINECS 203-423-0
CAS-106-68-3
MolPort-001-769-802
Ethyl amyl ketone [UN2271] [Flammable liquid]
Ethyl amyl ketone [UN2271] [Flammable liquid]
Microorganism:

Yes

IUPAC nameoctan-3-one
SMILESCCCCCC(=O)CC
InchiInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
FormulaC8H16O
PubChem ID246728
Molweight128.215
LogP2.84
Atoms25
Bonds24
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Ketone

mVOC Specific Details

Volatilization
The Henry's Law constant for 3-octanone is estimated as 1.3X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 2.0 mm Hg(1), and water solubility, 2600 mg/L(1). This Henry's Law constant indicates that 3-octanone 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 11 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 6.8 days(SRC). 3-Octanone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-octanone from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of 3-octanone is estimated as 58(SRC), using a water solubility of 2600 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-octanone is expected to have high mobility in soil.
Literature: (1) Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976) (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
2 mm Hg at 20 deg CLande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
BacteriaStreptomyces Ciscaucasicus W214potentially involved in antifungal activityCordovez et al., 2015
BacteriaStreptomyces Ciscaucasicus W47potentially involved in antifungal activityCordovez et al., 2015
FungiAgaricus Bisporus A15Sylvan, UKCombet et al. 2009
FungiAmpelomyces Sp. F-a-3nanaNaznin et al., 2014
FungiArmillaria Mellean/aMueller et al., 2013
FungiAspergillus Candiduscompost Fischer et al. 2017
FungiAspergillus Flavusn/aStotzky and Schenk, 1976
FungiAspergillus SydowiinanaSteiner et al., 2007
FungiAspergillus Ustusnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiAspergillus VersicolornanaSteiner et al., 2007
FungiAspergillus Versicolor Tiraboschinadamp indoor environments, food productsSunesson et al., 1995
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiEurotium AmstelodamiSchleibinger et al.,2005
FungiFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
FungiFusarium SpPierce et al. 1991
FungiFusarium SporotrichoidesSchnürer et al. 1999
FungiGeotrichum Candidumcompost mixed with milky fermented productZirbes et al. 2024
FungiLaccaria Bicolorn/aMueller et al., 2013
FungiPaxillus Involutus MAJn/aMueller et al., 2013
FungiPaxillus Involutus NAUn/aMueller et al., 2013
FungiPencillium ChrysogenumMeruva et al., 2004
FungiPenicillium BrevicompactumSchleibinger et al.,2005
FungiPenicillium Chrysogenumn/aMeruva et al., 2004
FungiPenicillium CommuneSchnürer et al. 1999
FungiPenicillium CorymbiferumPierce et al. 1991
FungiPenicillium Paneum (Conidia)n/aChitarra et al., 2004
FungiPenicillium Polonicumnawater damaged buildings, BelgiumPolizzi et al., 2012
FungiPericonia Britannicanawater damaged buildings, BelgiumPolizzi et al., 2012
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiPholiota Squarrosan/aMueller et al., 2013
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiRhizoctonia Solani AG2-2 IIIBcollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
FungiScolulariopsis BrevicaulisPierce et al. 1991
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiTrichoderma Atroviriden/aCrutcher et al., 2013
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma Reesein/aCrutcher et al., 2013
FungiTrichoderma Virensn/aCrutcher et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
FungiTuber Aestivumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Borchiin/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Brumalen/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Excavatumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber IndicumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Panniferumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
FungiVerticillium Longisporumn/aMueller et al., 2013
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aSchulz and Dickschat, 2007
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaMyxococcus Xanthusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Pratensis Ter91Headspace trapping/GC-MS
BacteriaSerratia Proteamaculans 42Mn/an/a
BacteriaStreptomyces Ciscaucasicus W214GA-mediumSPME/GC-MS
BacteriaStreptomyces Ciscaucasicus W47GA-mediumSPME/GC-MS
FungiAgaricus Bisporus A15comkposted wheat strawGC-MS / SPMEyes
FungiAmpelomyces Sp. F-a-3naSPME-GC/MSNo
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAspergillus Candidusyest extract sucroseTenax/GC-MSno
FungiAspergillus Flavusn/an/a
FungiAspergillus SydowiinaGC/MSNo
FungiAspergillus Ustusmalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiAspergillus VersicolornaGC/MSNo
FungiAspergillus Versicolor TiraboschiDG18GC/MS
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiEurotium Amstelodamiingrain wallpaperGC/MS-SIMYes
FungiFomes FomentariusGC-MS (SIM)yes
FungiFusarium SpGC-FIDyes
FungiFusarium Sporotrichoidesmalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiGeotrichum Candidummedium 863SPME-GC-MSyes
FungiLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus MAJMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPaxillus Involutus NAUMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPencillium ChrysogenumPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.Yes
FungiPenicillium Brevicompactumingrain wallpaperGC/MS-SIMYes
FungiPenicillium ChrysogenumPotato dextrose agar Closedloop stripping analysis and GC/TOF-MS.
FungiPenicillium Communemalt extract agar with 0.5-1.0% acetic acidTenaxGC,Chromosorb,HS-SPME, GC-MSno
FungiPenicillium CorymbiferumGC-FIDyes
FungiPenicillium Paneum (Conidia)Malt extract mediumHeadspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
FungiPenicillium Polonicummalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiPericonia Britannicamalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPiptoporus BetulinusnaGC/MSNo
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiRhizoctonia Solani AG2-2 IIIBPotato Dextrose Agar8Tenax TA / TDGC-MSyes
FungiScolulariopsis BrevicaulisGC-FIDyes
FungiSpongiporus LeucomallellusnaGC/MSNo
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrametes SuaveolensnaGC/MSNo
FungiTrichoderma AtroviridePotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Borchiin/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Indicumn/an/a
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Panniferumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)
FungiTuber Uncinatumn/aSPME-GC-MS
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
BacteriaActinomycetes Spp.n/an/a
BacteriaCyanobacterian/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaMyxococcus Xanthusn/an/a


(5Z)-octa-1,5-dien-3-ol

Compound Details

Synonymous names
APFBWMGEGSELQP-WAYWQWQTSA-N
AC1O5A20
LP004017
SCHEMBL1116443
LMFA05000493
1,5Z-Octadien-3-ol
3B1-005663
Octa-1,5-dien-3-ol
Z-1,5-Octadien-3-ol
50306-18-8
(Z)-1,5-Octadiene-3-ol
(Z)-1,5-octadien-3-ol
(5Z)-octa-1,5-dien-3-ol
1,5-Octadien-3-ol, (Z)-
( Z, Z)-1,5-octadien-3-ol
Microorganism:

Yes

IUPAC name(5Z)-octa-1,5-dien-3-ol
SMILESCCC=CCC(C=C)O
InchiInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5-
FormulaC8H14O
PubChem ID6430307
Molweight126.199
LogP2.12
Atoms23
Bonds22
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAlkenes Alcohols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
FungiPiptoporus BetulinusnaSachsenwald near HamburgRösecke et al., 2000
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiPenicillium Paneum (Conidia)n/aChitarra et al., 2004
FungiTrichothecium RoseumVanHaelen et al. 1980
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/aHoeckelmann et al., 2004
BacteriaCyanobacterian/aHoeckelmann et al., 2004
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiFomes FomentariusGC-MS (SIM)yes
FungiPiptoporus BetulinusnaGC/MSNo
FungiTrametes SuaveolensnaGC/MSNo
FungiPenicillium Paneum (Conidia)Malt extract mediumHeadspace analysis using a Fisons Instruments autosampler HS 800 (Interscience, Breda, The Netherlands) GC/MS.
FungiTrichothecium RoseumGC-MSno
BacteriaBiofilms A (Rivularia Sp./Calothrix Parietina Community)n/an/a
BacteriaCyanobacterian/an/a
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiTuber Melanosporumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS


(E)-non-2-enal

Mass-Spectra

Compound Details

Synonymous names
Heptylideneacetaldehyde
BSAIUMLZVGUGKX-BQYQJAHWSA-N
beta-Hexylacrolein
alpha-Nonenyl aldehyde
3-Hexylacrolein
AC1Q2VPA
2-NONENAL
3-hexyl-acrolein
AC1NR21V
2-trans-Nonenal
.beta.-Hexylacrolein
trans-2-Nonenal
93C6BZW2TV
U836
.alpha.-Nonenyl aldehyde
Non-2-enal
UNII-93C6BZW2TV
trans-2-Nonenal, analytical standard
N0430
N0483
SCHEMBL102464
CHEMBL450072
3-Hexyl-2-propenal
CCRIS 9203
CCRIS 3326
LP001605
LS-2988
SBB006609
DTXSID0047086
ZINC1571215
CHEBI:61726
8VEO649985
trans-2-Nonenal (natural)
2-Nonen-1-al
NSC 20746
LS-96930
KB-81218
ACM2463538
FCH3694392
FCH1115292
CC-35184
AN-18822
DSSTox_GSID_47086
MFCD00007012
(E)-2-Nonenal
LMFA06000041
DSSTox_CID_27086
trans-2-Nonen-1-al
DSSTox_RID_82098
KB-173986
RT-004433
AI3-36268
UNII-8VEO649985
DB-044673
AKOS015902295
trans-2-Nonenal, 97%
(2E)non-2-enal
J-012128
BRN 1722170
FT-0637757
FEMA No. 3213
(E)-Non-2-enal
I14-49249
I14-13658
Tox21_300815
2-Nonenal, (E)-
trans-2-Nonenal, >=95%, FG
NCGC00254719-01
NCGC00248181-01
2463-53-8
EINECS 219-562-5
EINECS 242-609-6
18829-56-6
2-Nonenal, (2E)-
(E)-2-nonen-1-al
MolPort-001-792-108
CAS-18829-56-6
4-01-00-03502 (Beilstein Handbook Reference)
Microorganism:

Yes

IUPAC name(E)-non-2-enal
SMILESCCCCCCC=CC=O
InchiInChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+
FormulaC9H16O
PubChem ID5283335
Molweight140.226
LogP2.98
Atoms26
Bonds25
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAldehydes alkenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
FungiTuber IndicumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiFomes FomentariusGC-MS (SIM)yes
FungiSpongiporus LeucomallellusnaGC/MSNo
FungiTuber IndicumYes


(E)-oct-2-enal

Mass-Spectra

Compound Details

Synonymous names
LVBXEMGDVWVTGY-VOTSOKGWSA-N
LVBXEMGDVWVTGY-VOTSOKGWSA-
OCTENAL
AC1Q2VCA
2-OCTENAL
2-Octenel
AC1NR20Z
trans-2-Octenal
2-trans-octenal
trans-2-Octenal, analytical reference material
trans-octen-2-al
trans-oct-2-enal
O0176
UNII-2MU4QO235A component LVBXEMGDVWVTGY-VOTSOKGWSA-N
CHEMBL448058
SCHEMBL159708
C21138
(2E)-octenal
CCRIS 3418
LP082449
SBB068337
CHEBI:61725
CHEBI:61748
A817874
ZINC2013450
CJ-31208
KB-62982
LS-98074
LS-98075
AN-21697
AN-19916
AB1005980
2-Octen-1-al
Oct-2(E)-enal
trans-2-Octen-1-al
MFCD00007011
ZINC02013450
(E)-2-Octenal
2-(E)-octenal
LMFA06000029
55N91D7775
RTR-011637
AI3-36269
TR-011637
J-016016
A1-01903
I14-6240
AKOS015915261
(2E)oct-2-enal
FEMA No. 3215
UNII-55N91D7775
oct-2-en-1-al
FT-0696513
FT-0659050
(E)-Oct-2-enal
oct-(e)-2-enal
(2E)-oct-2-enal
(2E)-2-Octenal #
trans-2-Octenal, technical grade, 94%
2548-87-0
2-Octenal, (E)-
2363-89-5
trans-2-octen-1-al FCC, No Antioxidant
EINECS 219-115-4
EINECS 219-833-8
25447-69-2
2-Octenal, (2E)-
(E)-2-Octen-1-al
trans-2-Octenal, >=95%, stabilized, FG
MolPort-001-792-107
InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
Microorganism:

Yes

IUPAC name(E)-oct-2-enal
SMILESCCCCCC=CC=O
InchiInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
FormulaC8H14O
PubChem ID5283324
Molweight126.199
LogP2.54
Atoms23
Bonds22
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAldehydes alkenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
FungiFomes Fomentarius160-year-old beech forest,51°46´N 9°34´E,Solling,low mountain range,central GermanyHolighaus et al. 2014
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber AestivumnaTarsul (as normal forest); Daix (man made orchard)Molinier et al., 2015
FungiTrichoderma VirideHung et al., 2013
FungiTuber AestivumBurgundy regionMolinier et al., 2015
FungiTuber IndicumInhibit the development of Arabidopsis thaliana and modify its oxidative metabolismSplivallo et al., 2007
FungiTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiGanoderma LucidumnaGC/MSNo
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
FungiFomes FomentariusGC-MS (SIM)yes
FungiTuber Aestivumn/an/a
FungiTuber Melanosporumn/an/a
FungiTuber AestivumnaSPME-GC/MSNo
FungiTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSYes
FungiTuber AestivumHS-SPME/GC-MS Yes
FungiTuber Indicumn/an/a
FungiTuber Uncinatumn/aSPME-GC-MS