Results for:
Species: Pseudomonas fluorescens ALEB7B

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
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


1,2,3-trimethylcyclohexane

Mass-Spectra

Compound Details

Synonymous names
Hexahydrohemimellitene
DQTVJLHNWPRPPH-UHFFFAOYSA-N
ACMC-1BHMJ
AC1L261F
1,2,3-TRIMETHYLCYCLOHEXANE
OR234249
OR127485
1,2,3-Trimethylcyclohexane,cis
cis-1,2,3-Trimethylcyclohexane
OR031332
1,2,3-Trimethyl cyclohexane
1,cis-2,cis-3-Trimethylcyclohexane
ANW-22314
KB-09983
FCH1117745
C-50134
MFCD00045496
TC-111059
DB-043719
cis,trans,cis-1,2,3-Trimethylcyclohexane
cis,cis,cis-1,2,3-Trimethylcyclohexane
FT-0633762
I14-93174
Cyclohexane, 1,2,3-trimethyl-
1678-97-3
1678-81-5
EINECS 216-838-7
Cyclohexane, 1,2,3-trimethyl-, cis
1,2,3-Trimethylcyclohexane-, (1.alpha.,2.alpha.,3.alpha.)- #
Cyclohexane, 1,2,3-trimethyl-, (1.alpha.,2.alpha.,3.alpha.)-
IUPAC name1,2,3-trimethylcyclohexane
SMILESCC1CCCC(C1C)C
InchiInChI=1S/C9H18/c1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3
FormulaC9H18
PubChem ID15507
Molweight126.243
LogP3.53
Atoms27
Bonds27
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkanes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens ALEB7Bnafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST


[(4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-yl] Acetate

Compound Details

Synonymous names
ZKZVZEDRTLBKEV-NTCAYCPXSA-N
AC1NT1RB
Acetic acid, 3-(6,6-dimethyl-2-methylenecyclohex-3-enylidene)-1-methylbutyl ester
(3Z)-3-(6,6-Dimethyl-2-methylene-3-cyclohexen-1-ylidene)-1-methylbutyl acetate #
[(4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-yl] acetate
IUPAC name[(4Z)-4-(6,6-dimethyl-2-methylidenecyclohex-3-en-1-ylidene)pentan-2-yl] acetate
SMILESCC(CC(=C1C(=C)C=CCC1(C)C)C)OC(=O)C
InchiInChI=1S/C16H24O2/c1-11-8-7-9-16(5,6)15(11)12(2)10-13(3)18-14(4)17/h7-8,13H,1,9-10H2,2-6H3/b15-12+
FormulaC16H24O2
PubChem ID5374325
Molweight248.366
LogP3.27
Atoms42
Bonds42
H-bond Acceptor1
H-bond Donor0
Chemical Classificationesters terpenes

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens ALEB7Bpromotes the growth and volatile oil accumulation in Atractylodes lanceaAtractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarSPME/GC-FIDYes


Formamide

Mass-Spectra

Compound Details

Synonymous names
Ameisensaeureamid
carbamaldehyde
Methanamid
Methanamide
METHONAMINE
Carbamaldehyde, Methanamide
formamid
formamide
Formamide, Spectrophotometric Grade
Methanimidic acid
ZHNUHDYFZUAESO-UHFFFAOYSA-N
Formimidic acid
imidoformic acid
Amid kyseliny mravenci
Formic amide
HCONH2
MB8
FORMAMIDE, ACS
N-formyl amine
Amide C1
Formamide, ACS reagent
FORMAMIDE, ULTRA PURE
Methanoic acid, amide
AC1L19UT
ACMC-1BIX7
Formic acid, amide
NSC748
WLN: ZVH
AC1Q50F9
GTPL4739
HSDB 88
KSC379A6T
Formamide, spectrophotometric grade, >=99%
Amid kyseliny mravenci [Czech]
CTK2F1420
CTK2H9069
F0045
HMDB01536
CHEMBL266160
NSC 748
NSC-748
bmse000267
C00488
CCRIS 6240
LTBB002179
DTXSID8025337
LS-1656
OR025011
OR034686
OR079739
OR245339
OR252964
OR254329
A838330
CHEBI:16397
CHEBI:48431
DSSTox_CID_5337
Formamide, >=99.0%
Formamide, >=99.5%
4781T907ZS
AN-23839
ANW-13591
DSSTox_GSID_25337
Formamide, reagent grade, 98%
KB-52170
SC-46172
DSSTox_RID_77755
MFCD00007941
AI3-15357
C1 o pound degrees .
DB-055937
RTR-037669
TR-037669
UNII-4781T907ZS
AKOS009031608
I05-0381
J-521386
METHANIMIDIC ACID, (Z)-
FT-0083173
FT-0603514
FT-0631311
FT-0637321
75-12-7
METHYL, AMINOOXO- (9CI)
Formamide, ACS reagent, >=99.5%
Tox21_201942
Tox21_302824
F0001-1892
CAS-75-12-7
Formamide, 99% 500g
Formamide, JIS special grade, >=98.5%
Formamide, BioXtra, >=99% (GC)
Formamide, SAJ first grade, >=98.5%
Formamide, Vetec(TM) reagent grade, 98%
MCULE-4202420620
NCGC00091516-01
NCGC00091516-02
NCGC00256321-01
NCGC00259491-01
EINECS 200-842-0
23296-41-5
60100-09-6
MolPort-000-871-972
1156543-55-3
1158234-15-1
Formamide, p.a., 99.5%
Formamide, >=99.5% (GC), BioReagent, for molecular biology
Formamide, ReagentPlus(R), >=99.0% (GC)
degrees +/->>u(1/4)xE(c)
Formamide, BioUltra, for molecular biology, >=99.5% (T)
Formamide, for molecular biology, >=99.5% (GC), liquid
Formamide, p.a., ACS reagent, 99.5%
InChI=1/CH3NO/c2-1-3/h1H,(H2,2,3
Formamide, puriss. p.a., ACS reagent, >=99.5% (GC/T)
Formamide solution, NMR reference standard, 45% in DMSO-d6 (99.9 atom % D), NMR tube size 3 mm x 8 in.
Formamide solution, NMR reference standard, 45% in DMSO-d6 (99.9 atom % D), NMR tube size 5 mm x 8 in.
Formamide solution, NMR reference standard, 90% in DMSO-d6 (99.9 atom % D), NMR tube size 3 mm x 8 in.
Formamide solution, NMR reference standard, 90% in DMSO-d6 (99.9 atom % D), NMR tube size 5 mm x 8 in.
Formamide solution, NMR reference standard, 90% in DMSO-d6 (99.9 atom % D), NMR tube size 10 mm x 8 in.
IUPAC nameformamide
SMILESC(=O)N
InchiInChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
FormulaCH3NO
PubChem ID713
Molweight45.041
LogP-1.08
Atoms6
Bonds5
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmides nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for formamide is estimated as 1.4X10-9 atm-cu m/mole(SRC) based upon its vapor pressure, 6.1X10-2 mm Hg(1), and water solubility, 1.0X10+6 mg/l(2). This Henry's Law constant indicates that formamide is expected to be essentially nonvolatile from water surfaces(3). Formamide is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.1X10-2 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp (1989) (2) Eberling CL; Kirk-Othmer Encycl Chem Tech 3rd ed NY, NY: Wiley Interscience 11: 258-63 (1980) (3) 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 formamide is 3.6(1). According to a classification scheme(2), this Koc value suggests that formamide is expected to have very high mobility in soil(SRC).
Literature: (1) Verschueren K; Handbook of Environmental Data on Organic Chemicals. 4th ed. NY, NY: John Wiley and Sons 1: 1175 (2001) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
6.10X10-2 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens ALEB7Bpromotes growth of non-infected Atractylodes lanceafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST


N,N-dimethylformamide

Mass-Spectra

Compound Details

Synonymous names
dimehtylformarnide
dimethylformarnide
dimethylforrnamide
dirnethylformamide
dirnethylformarnide
Formyldimethylamine
dimethyiformamide
Dimethylforamide
Dimethylformamid
Dimethylformamide
Dimetilformamide
dimetylformamide
Dimetylformamidu
Dwumetyloformamid
dimethy1formamide
Dimethylamid kyseliny mravenci
N-Formyldimethylamine
di-methylformamide
Dimethyl formamide
dimethyl-Formamide
dimethylf ormamide
dimethylform amide
dimethylform-amide
dimethylformamid e
Dimethylformamide Reagent Grade ACS
dimethylformamide-
ZMXDDKWLCZADIW-UHFFFAOYSA-N
N,N-Dimethylformaldehyde
Dimethylformamide, DMF
DMFA
N,N-dimethylformarnide
N,N-dimethylforrnamide
N,N-Dimethylmethanamide
N,N-dirnethylformamide
N,N'-Dimethylformamide
DMF
N,N Dimethylformamide
N,N-Dimethylformamid
N,N-DIMETHYLFORMAMIDE
N,N-Dimethylformamide, Spectrophotometric Grade
N,N-Dimetilformamida
N,N-dimetylformamide
n,n,dimethylformamide
N.N-dimethylformamide
dimethyl form-amide
dimethyl- formamide
dimethylfor- mamide
1N,N-dimethylformamide
Dimethylformamid [German]
Dimethylformamide, pharmaceutical secondary standard; traceable to USP
Dimetilformamide [Italian]
Dwumetyloformamid [Polish]
Dimetylformamidu [Czech]
DMF (dimethylformamide)
N,N-di-methylforrnamide
N,N-Dimethylformamide HPLC grade
N,N-Dimethylformamide, analytical standard
N,N-Dimethylformamide, anhydrous
Formamide,N-dimethyl-
N, N dimethylformamide
N, N-dimethylformamide
N,N -dimethylformamide
N,N dimethyl formamide
N,N- Dimethylformamide
N,N-di methylformamide
N,N-di-methylformamide
N,N-dime-thylformamide
N,N-dimehtyl formamide
N,N-dimethyl formamid
N,N-Dimethyl formamide
n,n-dimethyl-Formamide
N,N-dimethylfor mamide
N,N-dimethylfor-mamide
N,N-dimethylform-amide
N,N-dimethylformamide-
N,N-dimetyl formamide
AC1L1M2O
Dimethylamid kyseliny mravenci [Czech]
formamide, dimethyl-
N,N-DIMETHYLFORMAMIDE, ACS
AC1Q3W44
HSDB 78
K124
KSC352S1B
N,N-Dimethylformamide, HPLC Grade
Dimethylformamide, N,N-
N, N- dimethylformamide
N, N-di-methylformamide
N, N-dimethyl formamide
N,N- dimethyl formamide
N,N-di-methyl formamide
N,N-di-methyl-formamide
N,N-dimethyl- formamide
N,N-Dimethylformamide, ACS grade
NSC5356
PubChem23341
UN2265
CTK2F2910
D0722
D0939
DMF (amide)
FORMIN ACID,AMIDE,N,N-DIMETHYL
HMDB01888
N,N-Dimetilformamida [Spanish]
BIDD:ER0600
CHEMBL268291
DB01844
DIMETHYLFORMAMIDE 99% (PEPTIDE GRADE)
DMF-d7; Heptadeutero-N,N-dimethylformamide
HCON(CH3)2
RL04602
RP18321
WLN: VHN1&1
8696NH0Y2X
bmse000709
C03134
CCRIS 1638
Dimethyl formamide-Formamide, N,N-dimethyl-
DSSTox_CID_515
LTBB002011
N,N-Dimethylformamide, anhydrous, amine free
ZINC901648
BC206707
Dimethylformamide, n,n- Reagent Grade ACS
DTXSID6020515
Formamide, N,N-dimethyl-
LS-1577
NSC 5356
NSC-5356
OR000145
OR326828
STL264197
UN 2265
ZB015299
300076X
A836012
ACMC-20976q
CHEBI:17741
NCI-C60913
U-4224
UNII-8696NH0Y2X
AB1007264
AN-23775
ANW-13584
Caswell No. 366A
CJ-04552
DSSTox_GSID_20515
EBD2222506
SC-18318
DSSTox_RID_75636
MFCD00003284
ZINC00901648
AI3-03311
RTR-037473
TR-037473
AKOS000121096
EPA Pesticide Chemical Code 366200
I14-0843
N,N-Dimethylformamide, 99.8%
N,N-Dimethylformamide, for molecular biology, >=99%
N,N-Dimethylformamide, LR, >=99%
FT-0629532
FT-0639029
68-12-2
Dynasolve 100 (Salt/Mix)
N,N-Dimethylformamide, ACS spectrophotometric grade, >=99.8%
N,N-Dimethylformamide, ReagentPlus(R), >=99%
Tox21_201259
Tox21_300039
Formic acid, amide, N,N-dimethyl-
N,N-Dimethylformamide, anhydrous, 99.8%
CAS-68-12-2
MCULE-6290117712
N,N-Dimethylformamide, ACS reagent, >=99.8%
N,N-Dimethylformamide, AR, >=99.5%
NCGC00090785-01
NCGC00090785-02
NCGC00090785-03
NCGC00090785-04
NCGC00090785-05
NCGC00254093-01
NCGC00258811-01
EINECS 200-679-5
N,N-Dimethylformamide, 99% 250ml
N,N-Dimethylformamide, B&J Brand (product of Burdick & Jackson)
N,N-Dimethylformamide, UV HPLC spectroscopic, 99.7%
15175-63-0
15175-77-6
33513-42-7
N,N-Dimethylformamide, for HPLC, >=99.5%
N,N-Dimethylformamide, for HPLC, >=99.9%
N,N-Dimethylformamide, JIS special grade, >=99.5%
191-EP1441224A2
191-EP2269610A2
191-EP2269975A2
191-EP2269977A2
191-EP2269978A2
191-EP2269979A1
191-EP2269985A2
191-EP2269988A2
191-EP2269989A1
191-EP2269990A1
191-EP2269991A2
191-EP2269992A1
191-EP2269993A1
191-EP2269994A1
191-EP2269997A2
191-EP2270001A1
191-EP2270003A1
191-EP2270004A1
191-EP2270005A1
191-EP2270006A1
191-EP2270008A1
191-EP2270009A1
191-EP2270010A1
191-EP2270011A1
191-EP2270012A1
191-EP2270013A1
191-EP2270014A1
191-EP2270015A1
191-EP2270018A1
191-EP2272509A1
191-EP2272516A2
191-EP2272517A1
191-EP2272537A2
191-EP2272813A2
191-EP2272822A1
191-EP2272825A2
191-EP2272826A1
191-EP2272827A1
191-EP2272828A1
191-EP2272832A1
191-EP2272834A1
191-EP2272835A1
191-EP2272838A1
191-EP2272839A1
191-EP2272840A1
191-EP2272841A1
191-EP2272843A1
191-EP2272845A2
191-EP2272848A1
191-EP2272972A1
191-EP2272973A1
191-EP2274983A1
191-EP2275102A1
191-EP2275105A1
191-EP2275401A1
191-EP2275409A1
191-EP2275410A1
191-EP2275411A2
191-EP2275412A1
191-EP2275413A1
191-EP2275414A1
191-EP2275415A2
191-EP2275416A1
191-EP2275420A1
191-EP2275422A1
191-EP2275423A1
191-EP2275425A1
191-EP2275469A1
191-EP2277848A1
191-EP2277858A1
191-EP2277861A1
191-EP2277865A1
191-EP2277866A1
191-EP2277867A2
191-EP2277868A1
191-EP2277869A1
191-EP2277870A1
191-EP2277872A1
191-EP2277874A1
191-EP2277875A2
191-EP2277877A1
191-EP2277878A1
191-EP2277882A1
191-EP2277945A1
191-EP2279741A2
191-EP2279750A1
191-EP2280001A1
191-EP2280003A2
191-EP2280006A1
191-EP2280008A2
191-EP2280009A1
191-EP2280010A2
191-EP2280012A2
191-EP2280014A2
191-EP2281563A1
191-EP2281810A1
191-EP2281812A1
191-EP2281813A1
191-EP2281815A1
191-EP2281819A1
191-EP2281822A1
191-EP2281823A2
191-EP2281861A2
191-EP2284148A1
191-EP2284149A1
191-EP2284150A2
191-EP2284151A2
191-EP2284152A2
191-EP2284153A2
191-EP2284154A1
191-EP2284155A2
191-EP2284156A2
191-EP2284157A1
191-EP2284160A1
191-EP2284164A2
191-EP2284166A1
191-EP2284169A1
191-EP2284171A1
191-EP2284172A1
191-EP2284174A1
191-EP2284178A2
191-EP2284179A2
191-EP2286811A1
191-EP2286812A1
191-EP2286915A2
191-EP2287140A2
191-EP2287148A2
191-EP2287150A2
191-EP2287156A1
191-EP2287161A1
191-EP2287162A1
191-EP2287164A1
191-EP2287165A2
191-EP2287166A2
191-EP2287167A1
191-EP2287168A2
191-EP2289483A1
191-EP2289510A1
191-EP2289871A1
191-EP2289876A1
191-EP2289881A1
191-EP2289883A1
191-EP2289886A1
191-EP2289890A1
191-EP2289891A2
191-EP2289892A1
191-EP2289893A1
191-EP2289894A2
191-EP2292088A1
191-EP2292228A1
191-EP2292589A1
191-EP2292590A2
191-EP2292593A2
191-EP2292595A1
191-EP2292597A1
191-EP2292606A1
191-EP2292611A1
191-EP2292613A1
191-EP2292615A1
191-EP2292617A1
191-EP2292619A1
191-EP2292620A2
191-EP2292621A1
191-EP2292625A1
191-EP2292628A2
191-EP2295053A1
191-EP2295401A2
191-EP2295402A2
191-EP2295406A1
191-EP2295407A1
191-EP2295409A1
191-EP2295410A1
191-EP2295411A1
191-EP2295412A1
191-EP2295413A1
191-EP2295414A1
191-EP2295415A1
191-EP2295416A2
191-EP2295417A1
191-EP2295418A1
191-EP2295419A2
191-EP2295426A1
191-EP2295427A1
191-EP2295428A2
191-EP2295429A1
191-EP2295432A1
191-EP2295433A2
191-EP2295434A2
191-EP2295435A1
191-EP2295437A1
191-EP2295439A1
191-EP2295503A1
191-EP2298312A1
191-EP2298728A1
191-EP2298731A1
191-EP2298734A2
191-EP2298735A1
191-EP2298736A1
191-EP2298742A1
191-EP2298743A1
191-EP2298744A2
191-EP2298745A1
191-EP2298747A1
191-EP2298748A2
191-EP2298749A1
191-EP2298750A1
191-EP2298755A1
191-EP2298758A1
191-EP2298759A1
191-EP2298761A1
191-EP2298762A2
191-EP2298764A1
191-EP2298765A1
191-EP2298768A1
191-EP2298770A1
191-EP2298774A1
191-EP2298775A1
191-EP2298776A1
191-EP2298779A1
191-EP2298780A1
191-EP2298783A1
191-EP2301534A1
191-EP2301536A1
191-EP2301538A1
191-EP2301544A1
191-EP2301909A1
191-EP2301912A2
191-EP2301916A2
191-EP2301918A1
191-EP2301921A1
191-EP2301922A1
191-EP2301923A1
191-EP2301925A1
191-EP2301926A1
191-EP2301928A1
191-EP2301929A1
191-EP2301930A1
191-EP2301931A1
191-EP2301932A1
191-EP2301933A1
191-EP2301935A1
191-EP2301936A1
191-EP2301937A1
191-EP2301939A1
191-EP2301940A1
191-EP2301983A1
191-EP2305250A1
191-EP2305254A1
191-EP2305627A1
191-EP2305636A1
191-EP2305637A2
191-EP2305640A2
191-EP2305641A1
191-EP2305643A1
191-EP2305644A1
191-EP2305647A1
191-EP2305648A1
191-EP2305652A2
191-EP2305658A1
191-EP2305659A1
191-EP2305660A1
191-EP2305664A1
191-EP2305666A1
191-EP2305667A2
191-EP2305668A1
191-EP2305671A1
191-EP2305672A1
191-EP2305674A1
191-EP2305675A1
191-EP2305676A1
191-EP2305677A1
191-EP2305679A1
191-EP2305681A1
191-EP2305682A1
191-EP2305684A1
191-EP2305687A1
191-EP2305688A1
191-EP2305689A1
191-EP2305695A2
191-EP2305696A2
191-EP2305697A2
191-EP2305698A2
191-EP2305769A2
191-EP2305808A1
191-EP2308479A2
191-EP2308812A2
191-EP2308832A1
191-EP2308833A2
191-EP2308838A1
191-EP2308840A1
191-EP2308841A2
191-EP2308844A2
191-EP2308845A2
191-EP2308846A2
191-EP2308848A1
191-EP2308849A1
191-EP2308851A1
191-EP2308855A1
191-EP2308857A1
191-EP2308861A1
191-EP2308866A1
191-EP2308867A2
191-EP2308869A1
191-EP2308870A2
191-EP2308872A1
191-EP2308873A1
191-EP2308874A1
191-EP2308875A1
191-EP2308876A1
191-EP2308879A1
191-EP2308880A1
191-EP2308882A1
191-EP2308883A1
191-EP2308960A1
191-EP2311451A1
191-EP2311455A1
191-EP2311464A1
191-EP2311494A1
191-EP2311796A1
191-EP2311797A1
191-EP2311798A1
191-EP2311799A1
191-EP2311805A1
191-EP2311806A2
191-EP2311807A1
191-EP2311808A1
191-EP2311810A1
191-EP2311815A1
191-EP2311818A1
191-EP2311824A1
191-EP2311825A1
191-EP2311826A2
191-EP2311827A1
191-EP2311829A1
191-EP2311830A1
191-EP2311831A1
191-EP2311837A1
191-EP2311838A1
191-EP2311840A1
191-EP2311842A2
191-EP2311850A1
191-EP2314295A1
191-EP2314575A1
191-EP2314576A1
191-EP2314577A1
191-EP2314580A1
191-EP2314581A1
191-EP2314582A1
191-EP2314583A1
191-EP2314584A1
191-EP2314586A1
191-EP2314590A1
191-EP2314593A1
191-EP2315303A1
191-EP2315502A1
191-EP2316450A1
191-EP2316452A1
191-EP2316457A1
191-EP2316458A1
191-EP2316470A2
191-EP2316824A1
191-EP2316825A1
191-EP2316827A1
191-EP2316828A1
191-EP2316829A1
191-EP2316830A2
191-EP2316831A1
191-EP2316832A1
191-EP2316833A1
191-EP2316834A1
191-EP2316835A1
191-EP2316836A1
191-EP2316905A1
191-EP2316906A2
191-EP2371797A1
191-EP2371798A1
191-EP2371800A1
191-EP2371804A1
191-EP2371808A1
191-EP2371812A1
191-EP2371814A1
191-EP2374454A1
191-EP2374790A1
191-EP2374791A1
191-EP2374895A1
191-EP2380873A1
192-EP2275418A1
192-EP2275420A1
192-EP2277565A2
192-EP2277566A2
192-EP2277567A1
192-EP2277568A2
192-EP2277569A2
192-EP2277570A2
192-EP2277875A2
192-EP2277945A1
192-EP2279741A2
192-EP2280008A2
192-EP2280012A2
192-EP2281815A1
192-EP2284172A1
192-EP2286811A1
192-EP2289894A2
192-EP2292280A1
192-EP2292600A1
192-EP2292624A1
192-EP2292628A2
192-EP2295055A2
192-EP2295408A1
192-EP2295416A2
192-EP2295426A1
192-EP2295427A1
192-EP2295437A1
192-EP2298738A1
192-EP2298743A1
192-EP2298748A2
192-EP2298770A1
192-EP2298775A1
192-EP2298776A1
192-EP2301911A1
192-EP2301924A1
192-EP2301926A1
192-EP2305250A1
192-EP2305642A2
192-EP2305658A1
192-EP2305667A2
192-EP2308479A2
192-EP2308833A2
192-EP2308842A1
192-EP2308874A1
192-EP2311453A1
192-EP2311815A1
192-EP2311818A1
192-EP2311820A1
192-EP2314295A1
192-EP2314581A1
192-EP2380874A2
EC 200-679-5
N,N-Dimethylformamide, biotech. grade, >=99.9%
N,N-Dimethylformamide, SAJ first grade, >=99.0%
114057-15-7
N,N-Dimethylformamide [UN2265] [Flammable liquid]
MolPort-000-871-967
N,N-Dimethylformamide, AldraSORB(TM), 99.8%
14869-EP2272846A1
14869-EP2277868A1
14869-EP2277869A1
14869-EP2277870A1
14869-EP2284178A2
14869-EP2284179A2
14869-EP2287164A1
14869-EP2292608A1
14869-EP2298305A1
14869-EP2305033A1
14869-EP2308866A1
14869-EP2308878A2
14869-EP2314580A1
14869-EP2316830A2
70936-EP2269990A1
70936-EP2277945A1
70936-EP2281815A1
70936-EP2295425A1
70936-EP2295426A1
70936-EP2295427A1
70936-EP2298743A1
70936-EP2308833A2
70936-EP2374788A1
N,N-Dimethylformamide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~99%
N,N-Dimethylformamide [UN2265] [Flammable liquid]
N,N-Dimethylformamide, p.a., 99.8%
N,N-Dimethylformamide, Vetec(TM) reagent grade, anhydrous, >=99.8%
N,N-Dimethylformamide HPLC, UV-IR min. 99.9%, isocratic grade
N,N-Dimethylformamide, p.a., ACS reagent, 99.8%
InChI=1/C3H7NO/c1-4(2)3-5/h3H,1-2H
N,N-Dimethylformamide, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%
N,N-Dimethylformamide, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.8% (GC)
IUPAC nameN,N-dimethylformamide
SMILESCN(C)C=O
InchiInChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
FormulaC3H7NO
PubChem ID6228
Molweight73.095
LogP-0.63
Atoms12
Bonds11
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for N,N-dimethylformamide is reported as 7.39X10-8 atm-cu m/mole(1). This Henry's Law constant indicates that N,N-dimethylformamide is expected to be essentially nonvolatile from moist soil and water surfaces(2). The potential for volatilization of N,N-dimethylformamide from dry soil surfaces may exist based upon a vapor pressure of 3.87 mm Hg(3).
Literature: (1) Taft RW et al; Nature 313: 384-6 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng New York, NY: Hemisphere Pub Corp (1985)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of N,N-dimethylformamide can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that N,N-dimethylformamide 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 Feb 11, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
3.87 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1985)
MS-Links
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens ALEB7Bpromotes growth of non-infected Atractylodes lanceafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST


Propanamide

Mass-Spectra

Compound Details

Synonymous names
PROPIONAMIDE
Propylamide
Propanamide
propioamide
Propanimidic acid
Propionimidic acid
QLNJFJADRCOGBJ-UHFFFAOYSA-N
Propionic amide
Amid kyseliny propionove
Propionic acid amide
n-propionic amide
AC1L1MUD
AC1Q2SID
ACMC-1BJ8Y
KSC378E2R
S216
Propionimidic acid (VAN)
Propionamide, 97%
Propanimidic acid (VAN)
Amid kyseliny propionove [Czech]
QK07G0HP47
CTK2H8228
P0499
WLN: ZV2
RP18319
DB04161
NE10546
NSC38708
UNII-QK07G0HP47
OR341822
Jsp004788
Jsp002489
OR025424
OR245866
DTXSID3058820
CHEMBL1235716
STL363023
ZINC1670847
CHEBI:45422
CJ-27133
TRA0037652
NSC-38708
NSC 38708
SC-18213
AN-42136
ANW-37252
CJ-06113
MFCD00008039
ZINC01670847
TR-025203
RTR-025203
LS-123996
KB-109286
AI3-21217
DB-031910
Z33546482
J-524060
AKOS005177582
FT-0631349
BRN 0969258
79-05-0
I14-11773
EN300-15614
Propionamide, Vetec(TM) reagent grade, 97%
F0001-2069
PROPYL, 3-AMINO-3-OXO-
MCULE-3730796130
EINECS 201-172-1
MolPort-003-926-455
97843-EP2305686A1
97843-EP2305685A1
32530-EP2311827A1
32530-EP2301933A1
101962-EP2275469A1
101962-EP2301983A1
101962-EP2298828A1
101962-EP2289965A1
101962-EP2287940A1
4-02-00-00725 (Beilstein Handbook Reference)
InChI=1/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5
IUPAC namepropanamide
SMILESCCC(=O)N
InchiInChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
FormulaCH3CH2CONH2
PubChem ID6578
Molweight73.095
LogP-0.33
Atoms12
Bonds11
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmides ntrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens ALEB7Bnafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST


3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene

Mass-Spectra

Compound Details

Synonymous names
Sesquiphellandrene
PHWISBHSBNDZDX-UHFFFAOYSA-N
.beta.-Sesquiphellandrene
AC1LAT18
CTK1A3472
LP079959
(-)-.beta.-Sesquiphellandrene
20307-83-9
1,3(15),10-Bisabolatriene
3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene
3-(1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene
2-methyl-6-(4-methylidene-1-cyclohex-2-enyl)hept-2-ene
3-(6-METHYLHEPT-5-EN-2-YL)-6-METHYLIDENECYCLOHEX-1-ENE
3-((1S)-1,5-Dimethyl-4-hexenyl)-6-methylene-1-cyclohexene, (3R)-
Cyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-, (S-(R*,S*))-
Cyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-, [S-(R*,S*)]-
IUPAC name3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene
SMILESCC(CCC=C(C)C)C1CCC(=C)C=C1
InchiInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3
FormulaC15H24
PubChem ID519764
Molweight204.357
LogP4.92
Atoms39
Bonds39
H-bond Acceptor0
H-bond Donor0
Chemical Classificationterpenes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Artrophaeus LSSC22Agriculture University of Nanjing, ChinaTahir et al. 2039
BacteriaPseudomonas Fluorescens ALEB7Bnafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Artrophaeus LSSC22LBSPME-GC-MSno
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST


3,4-dimethyl-1H-quinolin-2-one

Compound Details

Synonymous names
OITTVGIRLCPSNN-UHFFFAOYSA-N
AC1Q6HXY
3,4-Dimethylcarbostyril
AC1L6JW4
Carbostyril,4-dimethyl-
CTK4D4612
2-Hydroxy-3,4-dimethylquinoline
SCHEMBL6220014
NSC108444
HE126977
ZINC8649176
DTXSID00296229
SCHEMBL13467803
Carbostyril, 3,4-dimethyl-
NSC-108444
AKOS022505169
AKOS030538264
3,4-dimethyl-quinolin-2-ol
2(1H)-Quinolinone,4-dimethyl-
3,4-dimethylquinolin-2(1h)-one
3,4-dimethyl-1H-quinolin-2-one
17336-90-2
3,4-Dimethyl-2(1H)-quinolinone #
2(1H)-Quinolinone, 3,4-dimethyl-
IUPAC name3,4-dimethyl-1H-quinolin-2-one
SMILESCC1=C(C(=O)NC2=CC=CC=C12)C
InchiInChI=1S/C11H11NO/c1-7-8(2)11(13)12-10-6-4-3-5-9(7)10/h3-6H,1-2H3,(H,12,13)
FormulaC11H11NO
PubChem ID268261
Molweight173.215
LogP2.29
Atoms24
Bonds25
H-bond Acceptor1
H-bond Donor1
Chemical Classificationnitrogen compounds benzenoids amides pyridines

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens ALEB7Bnafrom geo-authentic Atractylodes lanceaZhou et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens ALEB7BMS rooting agarGC/MS + comparison to NIST