Results for:
chemical Classification: nitriles

4-sulfanylbenzonitrile

Compound Details

Synonymous names
4-mercaptobenzonitrile
4-Sulfanylbenzonitrile
4-Sulphanylbenzonitrile
MVPUXVBBHWUOFS-UHFFFAOYSA-N
p-cyanothiophenol
4-cyanobenzenethiol
4-Thiobenzonitrile
4-Cyanothiophenol
4-mercapto-benzonitrile
4-Sulfanylbenzonitrile #
AC1LBM1X
AC1Q7G9I
AC1Q4RG8
Benzonitrile,4-mercapto-
AMBZ0044
ACMC-209ior
Benzonitrile, 4-mercapto-
CTK4H7168
SCHEMBL487363
CS-D0524
AM806854
AK198723
OR017304
ZINC2564325
K-8187
KB-39436
SC-97487
DTXSID60342852
ANW-28489
MFCD00272354
DB-006852
TC-117234
AKOS000218115
FT-0600237
EN300-45156
36801-01-1
MolPort-003-824-560
Microorganism:

Yes

IUPAC name4-sulfanylbenzonitrile
SMILESC1=CC(=CC=C1C#N)S
InchiInChI=1S/C7H5NS/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
FormulaC7H5NS
PubChem ID585058
Molweight135.18
LogP1.92
Atoms14
Bonds14
H-bond Acceptor1
H-bond Donor1
Chemical Classificationnitriles nitrogen compounds benzenoids thiols

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Magnatumn/aItalian geographical areas ( Piedmont)Gioacchini et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)


Thiadiazole-5-carbonitrile

Compound Details

Synonymous names
RMYKOFBFMSOHTQ-UHFFFAOYSA-N
AC1LBHJN
thiadiazole-5-carbonitrile
CTK7C9133
SCHEMBL2864386
AKOS014316101
1,2,3-Thiadiazole-5-carbonitrile #
5-Cyano-1,2,3-thiadiazole
57352-02-0
Microorganism:

Yes

IUPAC namethiadiazole-5-carbonitrile
SMILESC1=C(SN=N1)C#N
InchiInChI=1S/C3HN3S/c4-1-3-2-5-6-7-3/h2H
FormulaC3HN3S
PubChem ID558078
Molweight111.12
LogP0.55
Atoms8
Bonds8
H-bond Acceptor3
H-bond Donor0
Chemical Classificationheterocylic compounds nitriles sulfur compounds nitrogen compounds thioethers thiadiazole

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS


Acetonitrile

Mass-Spectra

Compound Details

Synonymous names
Methanecarbonitrile
Acetonitrile,homopolymer
Cyanomethylidyne radical
acetonitriie
ACETONITRILE
Cyanomethane
Ethanenitrile
Ethanonitrile
methylcyanide
Methylkyanid
acetnitrile
acetonitnle
Acetonitril
Acetonitrile, Spectrophotometric Grade
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Acetonitrile ACS
Acetonitrile, analytical standard
Acetonitrile, Environmental Grade
aceto-nitrile
Acetonitrile HPLC grade
acetonitrile-
Acetonitrile, anhydrous
Acetonitrile, for chromatography
Ethane nitrile
Ethyl nitrile
MeCN
Methyl cyanide
NCMe
CCN
Acetonitrile LC-MS
CH3CN
Methyl-d3 cyanide; Trideuteroacetonitrile
AC1L1MBF
ACETONITRILE, ACS
Acetonitrile, Hp
Cyanure de methyl
Acetonitrile, HPLC Grade
Ultrapure Acetonitrile, for DNA synthesis
Acetonitrile UV/HPLC ACS grade
Acetonitrile, for DNA synthesis
Residual Solvent - Acetonitrile
AC1Q1J2I
Acetonitrile, pharmaceutical secondary standard; traceable to USP
CC.equiv.N
CH3-C#N
Methylkyanid [Czech]
Acetonitrile, far UV/gradient grade
ACMC-1BGL8
Amidite Diluent, for DNA synthesis
DSSTox_CID_9
HSDB 42
KSC377O0T
Methane, cyano-
Acetonitrile (for HPLC)
CHEMBL45211
Methyl Cyanide, Cyanomethane, Ethanenitrile, ethyl
NSC7593
UN1648
A0060
A0293
A0793
Acetonitrile with 0.1% ammonium acetate
ACETONITRILE-[D3]
CTK2H7709
WLN: NC1
Acetonitril (GERMAN, DUTCH)
Acetonitril [German, Dutch]
Acetonitrile (I,T)
RL04861
bmse000826
bmse000896
CCRIS 1628
Cyanure de methyl [French]
LTBB002579
RCRA waste number U003
Z072SB282N
Acetonitrile, >=99.5%
Acetonitrile, spectrophotometric grade, >=99.5%
DTXSID7020009
LS-1653
NA 1648
NSC 7593
NSC-7593
OR034608
OR253967
STL283937
UN 1648
USAF EK-488
300006X
CHEBI:38472
NCI-C60822
UNII-Z072SB282N
AB1007262
Acetonitrile, Supergradient HPLC Grade (Far UV)
ANW-56415
DSSTox_GSID_20009
KB-47082
SC-46826
Alcohol Determination - Acetonitrile, United States Pharmacopeia (USP) Reference Standard
DSSTox_RID_75320
MFCD00001878
Acetonitrile, anhydrous, 99.8%
Acetonitrile, HPLC Grade (Far UV)
Acetonitrile, purification grade, 99.8%
Acetonitrile, puriss., 95%
AI3-00327
RTR-024196
TR-024196
Acetonitrile, ReagentPlus(R), 99%
AKOS000269067
J-008497
RCRA waste no. U003
FT-0621807
75-05-8
Acetonitrile, >=99.5%, ACS reagent
Acetonitrile, ACS reagent, >=99.5%
Acetonitrile, AR, >=99.5%
I14-14243
Acetonitrile, >=99.8%, for HPLC
Acetonitrile, 99% 500ml
Acetonitrile, for HPLC, >=99.9%
Acetonitrile, HPLC Plus, >=99.9%
Acetonitrile, JIS special grade, >=99.5%
Tox21_202481
Acetonitrile solution, ~20% in H2O, for protein sequence analysis
Acetonitrile with 0.1% ammonium acetate, tested for UHPLC-MS
Acetonitrile, HPLC grade, >=99.93%
Acetonitrile, SAJ first grade, >=99.0%
CAS-75-05-8
Acetonitrile [UN1648] [Flammable liquid]
Acetonitrile, >=99.5% (GC)
Acetonitrile, AldraSORB(TM), 99.8%
MCULE-8803543318
NCGC00091552-01
NCGC00260030-01
Acetonitrile, biotech. grade, >=99.93%
EINECS 200-835-2
26809-02-9
54841-72-4
Acetonitrile, electronic grade, 99.999% trace metals basis
Residual Solvent Class 2 - Acetonitrile, United States Pharmacopeia (USP) Reference Standard
Acetonitrile, configured for PerkinElmer 8900, configured for Polygen, for DNA synthesis
Acetonitrile, for HPLC, gradient grade, >=99.9%
Acetonitrile, for residue analysis, suitable for 5000 per JIS
Acetonitrile [UN1648] [Flammable liquid]
Acetonitrile, HPLC Plus, >=99.9%, poly-coated bottles
1943-EP1441224A2
1943-EP2269610A2
1943-EP2269975A2
1943-EP2269977A2
1943-EP2269978A2
1943-EP2269985A2
1943-EP2269986A1
1943-EP2269989A1
1943-EP2269990A1
1943-EP2269991A2
1943-EP2269992A1
1943-EP2269993A1
1943-EP2269994A1
1943-EP2269995A1
1943-EP2269997A2
1943-EP2269999A1
1943-EP2270000A1
1943-EP2270001A1
1943-EP2270002A1
1943-EP2270003A1
1943-EP2270004A1
1943-EP2270005A1
1943-EP2270006A1
1943-EP2270007A1
1943-EP2270008A1
1943-EP2270009A1
1943-EP2270011A1
1943-EP2270012A1
1943-EP2270013A1
1943-EP2270014A1
1943-EP2270018A1
1943-EP2270113A1
1943-EP2270114A1
1943-EP2272509A1
1943-EP2272516A2
1943-EP2272517A1
1943-EP2272537A2
1943-EP2272813A2
1943-EP2272817A1
1943-EP2272822A1
1943-EP2272832A1
1943-EP2272834A1
1943-EP2272835A1
1943-EP2272837A1
1943-EP2272838A1
1943-EP2272839A1
1943-EP2272840A1
1943-EP2272841A1
1943-EP2272842A1
1943-EP2272843A1
1943-EP2272844A1
1943-EP2272845A2
1943-EP2272847A1
1943-EP2272848A1
1943-EP2272849A1
1943-EP2272935A1
1943-EP2272972A1
1943-EP2272973A1
1943-EP2274983A1
1943-EP2275102A1
1943-EP2275105A1
1943-EP2275395A2
1943-EP2275401A1
1943-EP2275404A1
1943-EP2275407A1
1943-EP2275410A1
1943-EP2275411A2
1943-EP2275412A1
1943-EP2275413A1
1943-EP2275414A1
1943-EP2275415A2
1943-EP2275419A2
1943-EP2275421A1
1943-EP2275423A1
1943-EP2275425A1
1943-EP2275427A1
1943-EP2275469A1
1943-EP2277507A1
1943-EP2277565A2
1943-EP2277566A2
1943-EP2277567A1
1943-EP2277568A2
1943-EP2277569A2
1943-EP2277570A2
1943-EP2277622A1
1943-EP2277848A1
1943-EP2277858A1
1943-EP2277861A1
1943-EP2277863A1
1943-EP2277866A1
1943-EP2277867A2
1943-EP2277872A1
1943-EP2277875A2
1943-EP2277877A1
1943-EP2277878A1
1943-EP2277879A1
1943-EP2277880A1
1943-EP2277881A1
1943-EP2277898A2
1943-EP2277945A1
1943-EP2279750A1
1943-EP2280000A1
1943-EP2280001A1
1943-EP2280003A2
1943-EP2280004A1
1943-EP2280005A1
1943-EP2280006A1
1943-EP2280007A1
1943-EP2280008A2
1943-EP2280010A2
1943-EP2280011A1
1943-EP2280012A2
1943-EP2280014A2
1943-EP2280020A1
1943-EP2280021A1
1943-EP2281559A1
1943-EP2281563A1
1943-EP2281810A1
1943-EP2281812A1
1943-EP2281813A1
1943-EP2281815A1
1943-EP2281817A1
1943-EP2281818A1
1943-EP2281819A1
1943-EP2281820A2
1943-EP2281821A1
1943-EP2281823A2
1943-EP2281824A1
1943-EP2281899A2
1943-EP2283898A1
1943-EP2284149A1
1943-EP2284150A2
1943-EP2284151A2
1943-EP2284152A2
1943-EP2284153A2
1943-EP2284155A2
1943-EP2284156A2
1943-EP2284157A1
1943-EP2284158A1
1943-EP2284159A1
1943-EP2284160A1
1943-EP2284164A2
1943-EP2284165A1
1943-EP2284167A2
1943-EP2284168A2
1943-EP2284169A1
1943-EP2284171A1
1943-EP2284174A1
1943-EP2286795A1
1943-EP2286811A1
1943-EP2287140A2
1943-EP2287141A1
1943-EP2287147A2
1943-EP2287148A2
1943-EP2287150A2
1943-EP2287152A2
1943-EP2287153A1
1943-EP2287154A1
1943-EP2287155A1
1943-EP2287156A1
1943-EP2287160A1
1943-EP2287161A1
1943-EP2287162A1
1943-EP2287165A2
1943-EP2287166A2
1943-EP2287167A1
1943-EP2287168A2
1943-EP2287940A1
1943-EP2289509A2
1943-EP2289510A1
1943-EP2289868A1
1943-EP2289871A1
1943-EP2289878A1
1943-EP2289879A1
1943-EP2289883A1
1943-EP2289884A1
1943-EP2289885A1
1943-EP2289887A2
1943-EP2289888A2
1943-EP2289890A1
1943-EP2289892A1
1943-EP2289893A1
1943-EP2289894A2
1943-EP2289897A1
1943-EP2292222A1
1943-EP2292227A2
1943-EP2292228A1
1943-EP2292233A2
1943-EP2292280A1
1943-EP2292589A1
1943-EP2292590A2
1943-EP2292592A1
1943-EP2292593A2
1943-EP2292595A1
1943-EP2292596A2
1943-EP2292597A1
1943-EP2292599A1
1943-EP2292600A1
1943-EP2292601A1
1943-EP2292604A2
1943-EP2292606A1
1943-EP2292610A1
1943-EP2292611A1
1943-EP2292612A2
1943-EP2292615A1
1943-EP2292617A1
1943-EP2292619A1
1943-EP2292620A2
1943-EP2292621A1
1943-EP2292622A1
1943-EP2292624A1
1943-EP2292628A2
1943-EP2292630A1
1943-EP2295399A2
1943-EP2295402A2
1943-EP2295406A1
1943-EP2295407A1
1943-EP2295408A1
1943-EP2295409A1
1943-EP2295410A1
1943-EP2295411A1
1943-EP2295412A1
1943-EP2295413A1
1943-EP2295414A1
1943-EP2295415A1
1943-EP2295417A1
1943-EP2295418A1
1943-EP2295419A2
1943-EP2295421A1
1943-EP2295423A1
1943-EP2295425A1
1943-EP2295426A1
1943-EP2295427A1
1943-EP2295428A2
1943-EP2295429A1
1943-EP2295432A1
1943-EP2295433A2
1943-EP2295437A1
1943-EP2295438A1
1943-EP2295439A1
1943-EP2295441A2
1943-EP2298312A1
1943-EP2298729A1
1943-EP2298731A1
1943-EP2298732A1
1943-EP2298734A2
1943-EP2298735A1
1943-EP2298736A1
1943-EP2298738A1
1943-EP2298742A1
1943-EP2298743A1
1943-EP2298744A2
1943-EP2298745A1
1943-EP2298746A1
1943-EP2298747A1
1943-EP2298750A1
1943-EP2298754A1
1943-EP2298755A1
1943-EP2298756A1
1943-EP2298757A2
1943-EP2298758A1
1943-EP2298759A1
1943-EP2298761A1
1943-EP2298763A1
1943-EP2298764A1
1943-EP2298765A1
1943-EP2298766A1
1943-EP2298767A1
1943-EP2298768A1
1943-EP2298770A1
1943-EP2298772A1
1943-EP2298775A1
1943-EP2298776A1
1943-EP2298777A2
1943-EP2298778A1
1943-EP2298780A1
1943-EP2298828A1
1943-EP2301533A1
1943-EP2301544A1
1943-EP2301909A1
1943-EP2301912A2
1943-EP2301913A1
1943-EP2301914A1
1943-EP2301916A2
1943-EP2301918A1
1943-EP2301922A1
1943-EP2301923A1
1943-EP2301928A1
1943-EP2301929A1
1943-EP2301931A1
1943-EP2301932A1
1943-EP2301933A1
1943-EP2301934A1
1943-EP2301935A1
1943-EP2301936A1
1943-EP2301937A1
1943-EP2301939A1
1943-EP2301940A1
1943-EP2301983A1
1943-EP2305219A1
1943-EP2305248A1
1943-EP2305250A1
1943-EP2305254A1
1943-EP2305260A1
1943-EP2305625A1
1943-EP2305629A1
1943-EP2305633A1
1943-EP2305637A2
1943-EP2305640A2
1943-EP2305641A1
1943-EP2305642A2
1943-EP2305643A1
1943-EP2305644A1
1943-EP2305647A1
1943-EP2305651A1
1943-EP2305652A2
1943-EP2305655A2
1943-EP2305658A1
1943-EP2305659A1
1943-EP2305660A1
1943-EP2305663A1
1943-EP2305664A1
1943-EP2305666A1
1943-EP2305667A2
1943-EP2305668A1
1943-EP2305671A1
1943-EP2305672A1
1943-EP2305673A1
1943-EP2305674A1
1943-EP2305675A1
1943-EP2305676A1
1943-EP2305677A1
1943-EP2305679A1
1943-EP2305680A2
1943-EP2305681A1
1943-EP2305682A1
1943-EP2305683A1
1943-EP2305684A1
1943-EP2305685A1
1943-EP2305686A1
1943-EP2305687A1
1943-EP2305688A1
1943-EP2305689A1
1943-EP2305695A2
1943-EP2305696A2
1943-EP2305697A2
1943-EP2305698A2
1943-EP2305769A2
1943-EP2305808A1
1943-EP2305825A1
1943-EP2308471A1
1943-EP2308479A2
1943-EP2308510A1
1943-EP2308562A2
1943-EP2308812A2
1943-EP2308828A2
1943-EP2308832A1
1943-EP2308833A2
1943-EP2308838A1
1943-EP2308839A1
1943-EP2308841A2
1943-EP2308847A1
1943-EP2308848A1
1943-EP2308849A1
1943-EP2308850A1
1943-EP2308854A1
1943-EP2308857A1
1943-EP2308858A1
1943-EP2308861A1
1943-EP2308862A1
1943-EP2308863A1
1943-EP2308864A1
1943-EP2308866A1
1943-EP2308867A2
1943-EP2308868A1
1943-EP2308869A1
1943-EP2308870A2
1943-EP2308871A1
1943-EP2308872A1
1943-EP2308873A1
1943-EP2308874A1
1943-EP2308875A1
1943-EP2308876A1
1943-EP2308877A1
1943-EP2308879A1
1943-EP2308880A1
1943-EP2308926A1
1943-EP2308960A1
1943-EP2309584A1
1943-EP2311796A1
1943-EP2311797A1
1943-EP2311798A1
1943-EP2311799A1
1943-EP2311801A1
1943-EP2311802A1
1943-EP2311803A1
1943-EP2311805A1
1943-EP2311807A1
1943-EP2311808A1
1943-EP2311810A1
1943-EP2311811A1
1943-EP2311814A1
1943-EP2311815A1
1943-EP2311816A1
1943-EP2311817A1
1943-EP2311818A1
1943-EP2311820A1
1943-EP2311821A1
1943-EP2311822A1
1943-EP2311823A1
1943-EP2311824A1
1943-EP2311825A1
1943-EP2311827A1
1943-EP2311828A1
1943-EP2311829A1
1943-EP2311830A1
1943-EP2311831A1
1943-EP2311832A1
1943-EP2311833A1
1943-EP2311834A1
1943-EP2311836A1
1943-EP2311837A1
1943-EP2311838A1
1943-EP2311839A1
1943-EP2311840A1
1943-EP2311842A2
1943-EP2314295A1
1943-EP2314571A2
1943-EP2314574A1
1943-EP2314576A1
1943-EP2314578A1
1943-EP2314579A1
1943-EP2314581A1
1943-EP2314583A1
1943-EP2314584A1
1943-EP2314586A1
1943-EP2314587A1
1943-EP2314589A1
1943-EP2314590A1
1943-EP2314593A1
1943-EP2315303A1
1943-EP2316457A1
1943-EP2316458A1
1943-EP2316824A1
1943-EP2316825A1
1943-EP2316826A1
1943-EP2316827A1
1943-EP2316828A1
1943-EP2316829A1
1943-EP2316831A1
1943-EP2316832A1
1943-EP2316833A1
1943-EP2316834A1
1943-EP2316835A1
1943-EP2316836A1
1943-EP2316837A1
1943-EP2316937A1
1943-EP2316974A1
1943-EP2371810A1
1943-EP2371811A2
1943-EP2371812A1
1943-EP2371813A1
1943-EP2371814A1
1943-EP2371831A1
1943-EP2374454A1
1943-EP2374783A1
1943-EP2374788A1
1943-EP2374790A1
1943-EP2374792A1
1943-EP2374895A1
1943-EP2377510A1
1943-EP2377841A1
1943-EP2377845A1
1943-EP2377847A1
1943-EP2377849A2
1943-EP2380568A1
1943-EP2380871A1
1943-EP2380873A1
1943-EP2380874A2
1979-EP1441224A2
1979-EP2269977A2
1979-EP2269978A2
1979-EP2269985A2
1979-EP2269991A2
1979-EP2270003A1
1979-EP2270006A1
1979-EP2270011A1
1979-EP2270018A1
1979-EP2272509A1
1979-EP2272517A1
1979-EP2272844A1
1979-EP2275413A1
1979-EP2277867A2
1979-EP2277875A2
1979-EP2277898A2
1979-EP2280003A2
1979-EP2280009A1
1979-EP2281563A1
1979-EP2281820A2
1979-EP2281822A1
1979-EP2284150A2
1979-EP2284151A2
1979-EP2284152A2
1979-EP2284153A2
1979-EP2284155A2
1979-EP2284156A2
1979-EP2284157A1
1979-EP2284164A2
1979-EP2287140A2
1979-EP2287148A2
1979-EP2287150A2
1979-EP2287156A1
1979-EP2287165A2
1979-EP2287166A2
1979-EP2289886A1
1979-EP2289893A1
1979-EP2292589A1
1979-EP2292620A2
1979-EP2295402A2
1979-EP2295412A1
1979-EP2295413A1
1979-EP2295415A1
1979-EP2295418A1
1979-EP2295419A2
1979-EP2295428A2
1979-EP2295429A1
1979-EP2295435A1
1979-EP2295437A1
1979-EP2295439A1
1979-EP2295441A2
1979-EP2298735A1
1979-EP2298743A1
1979-EP2298744A2
1979-EP2298754A1
1979-EP2298761A1
1979-EP2298770A1
1979-EP2298775A1
1979-EP2298776A1
1979-EP2298780A1
1979-EP2298783A1
1979-EP2301930A1
1979-EP2301931A1
1979-EP2301939A1
1979-EP2301940A1
1979-EP2305250A1
1979-EP2305637A2
1979-EP2305648A1
1979-EP2305663A1
1979-EP2305682A1
1979-EP2305684A1
1979-EP2305687A1
1979-EP2305689A1
1979-EP2305695A2
1979-EP2305696A2
1979-EP2305697A2
1979-EP2305698A2
1979-EP2305808A1
1979-EP2308840A1
1979-EP2308844A2
1979-EP2308845A2
1979-EP2308846A2
1979-EP2308851A1
1979-EP2308861A1
1979-EP2308867A2
1979-EP2308870A2
1979-EP2308872A1
1979-EP2308874A1
1979-EP2308876A1
1979-EP2308879A1
1979-EP2308960A1
1979-EP2311464A1
1979-EP2311494A1
1979-EP2311796A1
1979-EP2311797A1
1979-EP2311798A1
1979-EP2311799A1
1979-EP2311802A1
1979-EP2311803A1
1979-EP2311807A1
1979-EP2311808A1
1979-EP2311824A1
1979-EP2311825A1
1979-EP2311829A1
1979-EP2311831A1
1979-EP2311840A1
1979-EP2314295A1
1979-EP2314593A1
1979-EP2316829A1
1979-EP2316831A1
1979-EP2316836A1
1979-EP2374454A1
6756-EP1441224A2
6756-EP2269992A1
6756-EP2270001A1
6756-EP2270004A1
6756-EP2270011A1
6756-EP2272537A2
6756-EP2272838A1
6756-EP2272848A1
6756-EP2275102A1
6756-EP2277848A1
6756-EP2280006A1
6756-EP2280008A2
6756-EP2280010A2
6756-EP2281563A1
6756-EP2281815A1
6756-EP2281819A1
6756-EP2284149A1
6756-EP2284178A2
6756-EP2284179A2
6756-EP2287165A2
6756-EP2287166A2
6756-EP2289894A2
6756-EP2292228A1
6756-EP2292620A2
6756-EP2292628A2
6756-EP2295417A1
6756-EP2295429A1
6756-EP2295433A2
6756-EP2295439A1
6756-EP2295441A2
6756-EP2298312A1
6756-EP2298742A1
6756-EP2298744A2
6756-EP2298776A1
6756-EP2298783A1
6756-EP2301928A1
6756-EP2301933A1
6756-EP2305250A1
6756-EP2305640A2
6756-EP2305652A2
6756-EP2305671A1
6756-EP2305679A1
6756-EP2305682A1
6756-EP2305684A1
6756-EP2305695A2
6756-EP2305696A2
6756-EP2305697A2
6756-EP2305698A2
6756-EP2305808A1
6756-EP2305825A1
6756-EP2308840A1
6756-EP2308841A2
6756-EP2308844A2
6756-EP2308845A2
6756-EP2308846A2
6756-EP2308861A1
6756-EP2308867A2
6756-EP2308870A2
6756-EP2308875A1
6756-EP2308879A1
6756-EP2311827A1
6756-EP2311841A1
6756-EP2316824A1
6756-EP2316834A1
6756-EP2316836A1
6756-EP2374454A1
6756-EP2374790A1
6756-EP2380871A1
Acetonitrile, purum, >=99.0% (GC)
MolPort-000-871-979
Acetonitrile solution, contains 0.1 % (v/v) ammonium hydroxide
InChI=1/C2H3N/c1-2-3/h1H
56797-EP2272846A1
56797-EP2275422A1
56797-EP2277868A1
56797-EP2277869A1
56797-EP2277870A1
56797-EP2284166A1
56797-EP2287164A1
56797-EP2289483A1
56797-EP2289881A1
56797-EP2292608A1
56797-EP2292616A1
56797-EP2292625A1
56797-EP2295422A2
56797-EP2295436A1
56797-EP2298305A1
56797-EP2298749A1
56797-EP2298762A2
56797-EP2298769A1
56797-EP2298773A1
56797-EP2305808A1
56797-EP2308852A1
56797-EP2308866A1
56797-EP2308878A2
56797-EP2371823A1
56797-EP2374784A1
56797-EP2374785A1
56797-EP2374791A1
Acetonitrile solution, contains 0.05 % (v/v) trifluoroacetic acid
Acetonitrile, for preparative HPLC, >=99.8% (GC)
Acetonitrile, for protein sequence analysis, >=99.8% (GC)
Acetonitrile, Vetec(TM) reagent grade, anhydrous, >=99.8%
Acetonitrile, Preparateur, >=99.9% (GC), Customized plastic drum
204319-EP2277867A2
204319-EP2280003A2
Acetonitrile solution, contains 0.1 % (v/v) acetic acid
Acetonitrile, for HPLC-GC, >=99.8% (GC)
Acetonitrile, for synthesis of DNA, >=99.9% (GC)
Acetonitrile, p.a., dry, 99.9%
Acetonitrile solution, contains 0.05 % (v/v) acetic acid
Acetonitrile, p.a., ACS reagent, 99.8%
Acetonitrile solution, contains 0.035 % (v/v) acetic acid
Acetonitrile solution, contains 0.1 % (v/v) trifluoroacetic acid, for HPLC
Acetonitrile, for HPLC, gradient grade, >=99.9% (GC)
Acetonitrile, for HPLC, gradient grade, >=99.90% (GC)
Acetonitrile, >=99.8%, for residue analysis, suitable for 300 per JIS
Acetonitrile, puriss. p.a., ACS reagent, 99.8%
Acetonitrile solution, contains 0.035 % (v/v) trifluoroacetic acid, for HPLC
Acetonitrile solution, contains 0.1 % (v/v) formic acid, for HPLC
Acetonitrile, for HPLC, for UV, >=99.9% (GC)
Acetonitrile, >=99.8%, for residue analysis, suitable for 1000 per JIS
Acetonitrile solution, for HPLC, acetonitrile:water 56 : 44% (w/w)
Acetonitrile, Preparateur, >=99.9% (GC), One-time steel-plastic (SP) drum
Acetonitrile, puriss. p.a., ACS reagent, >=99.5% (GC)
Acetonitrile solution, contains 40.0% 2-propanol, 0.05% formic acid, 10.0% acetone
Acetonitrile solution, for HPLC, acetonitrile:water 5:95% (v/v), 10 mM Ammoniumbicarbonate, pH 10,0
Acetonitrile solution, contains 0.10 % (v/v) trifluoroacetic acid, 10.0 % (v/v) water
Acetonitrile, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)
Acetonitrile solution, contains 5 % (v/v) water, 0.05 % (w/v) ammonium formate, 0.1 % (v/v) formic acid, for HPLC
Acetonitrile solution, NMR reference standard, 0.23 wt. % in D2O (99.9 atom % D), water 0.05 wt. %, NMR tube size 6.5 mm x 8 in.
Microorganism:

Yes

IUPAC nameacetonitrile
SMILESCC#N
InchiInChI=1S/C2H3N/c1-2-3/h1H3
FormulaCH3CN
PubChem ID6342
Molweight41.053
LogP-0.17
Atoms6
Bonds5
H-bond Acceptor1
H-bond Donor0
Chemical Classificationnitriles nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for acetonitrile is 3.45X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that acetonitrile 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 12 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 7.5 days(SRC). Acetonitrile's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetonitrile is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 88.8 mm Hg(3).
Literature: (1) Gaffney JS et al; Environ Sci Technol 21: 519-23 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Boublik T et al; The Vapour Pressures of Pure Substances. Vol 17. Amsterdam, Netherlands: Elsevier Sci Publ (1984)
Soil Adsorption
Acetonitrile has a reported measured Koc Value of 2.2(1). According to a classification scheme(2), this Koc value suggests that acetonitrile is expected to have very high mobility in soil(SRC).
Literature: (1) Chu W, Chan KH; Sci Total Environ 248: 1-10 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
88.8 mm Hg at 25 deg CBoublik, T., Fried, V., and Hala, E., The Vapour Pressures of Pure Substances. Second Revised Edition. Amsterdam: Elsevier, 1984.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Pneumoniaeclinical isolate,bacteremic patientsRees et al. 2017
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2017
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiTrichodema Viriden/aWheatley et al., 1997
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella PneumoniaeBHI, LB, MHB, TSBSPME / GCxGC-TOFMS
BacteriaKlebsiella Pneumoniae ATCC 13883LBSPME / GCxGC-TOFMSno
FungiTrichodema PseudokoningiiMalt extract/Low mediumGC/MS
FungiTrichodema VirideMalt extract/Low mediumGC/MS


2-(dimethylamino)acetonitrile

Mass-Spectra

Compound Details

Synonymous names
DIMETHYYLAMINOACETONITRILE
Dimethylaminoacetonitrile
(Dimethylamino)acetonitrile monohydrochloride
Dimethylamino acetonitrile
2-Dimethylaminoacetonitrile
PLXBWEPPAAQASG-UHFFFAOYSA-N
PLXBWEPPAAQASG-UHFFFAOYSA-
(Dimethylamino)acetonitrile
(Dimethylamino)acetonitrile HCl
N-(Cyanomethyl)dimethylamine
2-(dimethylamino)ethanenitrile
Glycinonitrile,N-dimethyl-
AC1L1UTL
AC1Q3WLE
AC1Q4SHH
2-(dimethylamino)acetonitrile
ACETONITRILE, (DIMETHYLAMINO)
UN2378
(Dimethylamino)acetonitrile, 97%
CTK5H1571
D1929
Acetonitrile, (dimethylamino)-
WU34F15N7C
Glycinonitrile, N,N-dimethyl-
NE10128
Acetonitrile,2-(dimethylamino)-
UNII-WU34F15N7C
UN 2378
SBB067014
DTXSID0073241
OR376718
WLN: NC1N1&1
OR035111
NSC148364
CHEMBL2448941
(CH3)2NCH2CN
CHEBI:88381
AN-47989
LS-13255
ZINC19479487
MFCD00001890
NSC 148364
NSC-148364
AI3-22163
I14-0506
AKOS000179555
BRN 1735677
FT-0625119
EN300-36240
926-64-7
2-Dimethylaminoacetonitrile [UN2378] [Flammable liquid]
EINECS 223-609-5
EINECS 213-140-4
2-Dimethylaminoacetonitrile [UN2378] [Flammable liquid]
MolPort-003-928-186
InChI=1/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3
Microorganism:

Yes

IUPAC name2-(dimethylamino)acetonitrile
SMILESCN(C)CC#N
InchiInChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3
FormulaC4H8N2
PubChem ID61237
Molweight84.122
LogP-0.27
Atoms14
Bonds13
H-bond Acceptor2
H-bond Donor0
Chemical Classificationnitriles nitrogen compounds amines

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaKlebsiella Pneumoniae ATCC 13883Rees et al. 2016
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaKlebsiella Pneumoniae ATCC 13883LB GCxGC-TOF-MSno
BacteriaStreptomycesYPD agarGCxGC-TOFMSno


Benzonitrile

Mass-Spectra

Compound Details

Synonymous names
Benzenecarbonitrile
Benzenenitrile
BENZONITRILE
Cyanobenzene
Phenylcyanide
benzonitril
Fenylkyanid
JFDZBHWFFUWGJE-UHFFFAOYSA-N
benzo-nitrile
Phenyl cyanide
Benzoic acid nitrile
4-cyanobenzene
AC1L1OWV
AC1Q1HDV
Fenylkyanid [Czech]
9V9APP5H5S
SCHEMBL6640
WLN: NCR
Benzene, cyano-
C6H5-CN
HSDB 45
KSC176E2R
ACMC-1BU52
CHEMBL15819
NSC8039
UN2224
UNII-9V9APP5H5S
B0082
Benzonitrile, anhydrous, >=99%
CTK0H6228
AS02370
LS-306
RP18810
bmse000284
C09814
CCRIS 3184
HMS3039F17
ZINC899417
AK133035
DTXSID7021491
NSC 8039
NSC-8039
OR034542
OR192601
OR192602
OR285456
OR380836
OR380837
SBB028746
ST079298
STK398186
UN 2224
ZB015161
AKOS 91614
CHEBI:27991
DSSTox_CID_1491
AJ-24289
AN-24553
ANW-14291
CJ-04511
DSSTox_GSID_21491
KB-47678
LABOTEST-BB LTBB001814
PHENYL, 2-CYANO-
PHENYL, 3-CYANO-
PHENYL, 4-CYANO-
SC-65092
TRA0046784
ACN-S002225
AKOS B004231
DSSTox_RID_76183
MFCD00001770
ZINC00899417
AI3-24184
RTR-000183
ST24030108
TIMTEC-BB SBB028746
TR-000183
AKOS000120125
Benzonitrile, ReagentPlus(R), 99%
I01-6996
J-000140
FT-0622719
MLS002454387
SMR001372003
ART-CHEM-BB B004231
Benzonitrile, 99% 100g
OTAVA-BB 1778585
Tox21_201982
Tox21_302979
100-47-0
Benzonitrile, for HPLC, 99.9%
F1908-0163
Z1263529746
AKOS BBS-00004403
Benzonitrile [UN2224] [Poison]
MCULE-9371683291
NCGC00091747-01
NCGC00091747-02
NCGC00256387-01
NCGC00259531-01
CAS-100-47-0
EINECS 202-855-7
Benzonitrile [UN2224] [Poison]
MolPort-000-872-079
23336-EP2269986A1
23336-EP2275395A2
23336-EP2275407A1
23336-EP2275411A2
23336-EP2277878A1
23336-EP2284157A1
23336-EP2287141A1
23336-EP2287165A2
23336-EP2292599A1
23336-EP2298749A1
23336-EP2301536A1
23336-EP2301538A1
23336-EP2301918A1
23336-EP2305625A1
23336-EP2305687A1
23336-EP2308926A1
23336-EP2309584A1
23336-EP2311455A1
23336-EP2311830A1
23336-EP2314574A1
23336-EP2314584A1
23336-EP2371831A1
23336-EP2380568A1
112284-EP2277868A1
112284-EP2277869A1
112284-EP2277870A1
112284-EP2292608A1
112284-EP2295422A2
112284-EP2298749A1
153479-EP2269995A1
153479-EP2287152A2
Microorganism:

Yes

IUPAC namebenzonitrile
SMILESC1=CC=C(C=C1)C#N
InchiInChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
FormulaC7H5N
PubChem ID7505
Molweight103.124
LogP1.83
Atoms13
Bonds13
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationNitrile benzenoids nitriles nitrogen compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for benzonitrile is estimated as 5.21X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.768 mm Hg(1), and water solubility of 2000 mg/L(2). This Henry's Law constant indicates that benzonitrile is expected to volatilize from water surfaces(3). 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)(3) is estimated as 20 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)(3) is estimated as 9 days(SRC). Benzonitrile's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzonitrile is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Riddick JA et al; Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons (1985) (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 benzonitrile is estimated as 150(SRC), using a log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzonitrile is expected to have moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 27 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Sept 15, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.768 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis Ter91n/aGarbeva et al., 2013
BacteriaKlebsiella Pneumoniaeclinical isolate,bacteremic patientsRees et al. 2017
BacteriaSerratia Plymuthica PRI-2Cstimulates growth of Pseudomonas fluorescens Pf0-1maize rhizosphere, NetherlandsGarbeva et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaCollimonas Pratensis Ter91sand supplemented with artificial root exudatesHeadspace trapping/GC-MS
BacteriaKlebsiella PneumoniaeBHI, LB, MHB, TSBSPME / GCxGC-TOFMS
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo


3-(2-phenylethyl)benzonitrile

Compound Details

Synonymous names
3-phenethylbenzonitrile
YAGSUWLZZOQMMN-UHFFFAOYSA-N
AC1L3JZT
Benzonitrile, m-phenethyl-
CTK1C4217
3-(2-Phenylethyl)benzonitrile
OR171608
SCHEMBL6950852
DTXSID30187777
1-(3-Cyanophenyl)-2-phenylethane
34176-91-5
Microorganism:

Yes

IUPAC name3-(2-phenylethyl)benzonitrile
SMILESC1=CC=C(C=C1)CCC2=CC=CC(=C2)C#N
InchiInChI=1S/C15H13N/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11H,9-10H2
FormulaC15H13N
PubChem ID141877
Molweight207.276
LogP4.37
Atoms29
Bonds30
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids nitriles nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Putida BP25Luria Bertani AgarSolvent extraction with hexane, GC/MSNo


2-phenylacetonitrile

Mass-Spectra

Compound Details

Synonymous names
Benzeneacetonitrile
Phenylacetonitrile
Phenacetonitrile
alpha-phenylacetonitrile
benzylcyanide
Benzylkyanid
Benzylnitrile
benzene acetonitrile
benzene-acetonitrile
Phenyl-acetonitrile
alpha-Cyanotoluene
alpha-Tolunitrile
omega-Cyanotoluene
Phenylacetonitrile, liquid
SUSQOBVLVYHIEX-UHFFFAOYSA-N
2-Phenylacetonitrile
2-phenylethanenitrile
aceticacid,phenyl-nitrile
A-TOLUNITRILE
BENZYL CYANIDE
Benzyl nitrile
benzyl-cyanide
(Cyanomethyl)benzene
acetonitrile,phenyl-
Phenyl acetyl nitrile
2-phenyl-acetonitrile
AC1L1RPP
Benzyl cyanide, analytical standard
Acetonitrile, phenyl-
C8H7N
.alpha.-Cyanotoluene
.alpha.-Tolunitrile
.omega.-Cyanotoluene
AC1Q4S1D
Benzylkyanid [Czech]
METHYL, CYANOPHENYL-
Acetic acid, phenyl-nitrile
ACMC-1C0PN
BENZYL CYANIDE-13C
KSC175C3P
NSC3407
PubChem20468
SCHEMBL37831
UN2470
WLN: NC1R
Benzyl cyanide, >=99%
CTK0H5137
P0128
Toluene, alpha-cyano-
AS01366
Benzyl cyanide, 98%
LS-817
RP19286
USAF KF-21
23G40PRP93
C16074
CCRIS 4698
HSDB 2103
CHEMBL3560735
DTXSID2021492
NSC-3407
NSC118418
OR034299
OR218332
OR218333
OR286093
OR377898
SBB058386
UN 2470
A807640
CHEBI:25979
DSSTox_CID_1492
UNII-23G40PRP93
ZINC1666748
AN-23174
ANW-20559
CJ-26987
DEA Code 8735
DSSTox_GSID_21492
KB-47802
SC-26879
TRA0004632
DSSTox_RID_76184
MFCD00001894
ZINC01666748
AI3-04975
DB-004016
NSC 118418
NSC-118418
RTC-061401
ST51017243
AKOS000118943
J-519675
S01-0547
Toluene, .alpha.-cyano-
Z57131036
FT-0636686
FT-0657342
LABOTEST-BB LT00891699
OTAVA-BB 1519434
Tox21_200217
140-29-4
F0001-0481
MCULE-3500109780
NCGC00090854-01
NCGC00090854-02
NCGC00257771-01
CAS-140-29-4
EINECS 205-410-5
Phenylacetonitrile, liquid [UN2470] [Poison]
MolPort-001-768-890
Phenylacetonitrile, liquid [UN2470] [Poison]
InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H
Microorganism:

Yes

IUPAC name2-phenylacetonitrile
SMILESC1=CC=C(C=C1)CC#N
InchiInChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
FormulaC8H7N
PubChem ID8794
Molweight117.151
LogP1.67
Atoms16
Bonds16
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids N-Compounds nitrogen compounds nitriles

mVOC Specific Details

Volatilization
The Henry's Law constant for benzyl cyanide is estimated as 1.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 8.9X10-2 mm Hg(1), and water solubility, 100 mg/L(2). This Henry's Law constant indicates that benzyl cyanide is expected to volatilize from water surfaces(3). 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)(3) is estimated as 5.7 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)(3) is estimated as 6.4 days(SRC). Benzyl cyanide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzyl cyanide is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) O'Neil MJ, ed; The Merck Index. 13th ed Whitehouse Station, NJ: Merck and Co., Inc., p.194 (2001) (2) Chemicals Inspection and Testing Institute; Biodegradation and bioaccumulation data of existing chemicals based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (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 benzyl cyanide is estimated as 170(SRC), using a log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzyl cyanide is expected to have moderate mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 39 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.089 mm Hg at 25 deg C /Extrapolated/O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 194
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaStreptomyces Sp. GWS-BW-H5.n/aDickschat et al., 2005_2
BacteriaNannocystis Exedens Na EB37n/aDickschat et al., 2007
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/aDickschat et al., 2007
Fungi Botrytis CinereaKikuchi et al. 1983
BacteriaSerratia Plymuthica 3Re4-18n/aKai et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaMyxobacterium Spp.n/an/a
BacteriaStreptomyces Sp. GWS-BW-H5.n/an/a
BacteriaNannocystis Exedens Na EB37n/an/a
BacteriaNannocystis Exedens Subsp. Cinnabarina Na C29n/an/a
Fungi Botrytis Cinereano
BacteriaSerratia Plymuthica 3Re4-18n/an/a


4-phenylmethoxybenzonitrile

Mass-Spectra

Compound Details

Synonymous names
4-phenylmethoxybenzenecarbonitrile
4-phenylmethoxybenzonitrile
4-Benzyloxybenzonitrile
UDAOJHAASAWVIQ-UHFFFAOYSA-N
4-(phenylmethoxy)benzenecarbonitrile
4-benzyloxy benzonitrile
4-Benzyloxy-benzonitrile
AC1LBO7L
4-cyanophenoxy phenyl methane
Benzonitrile analogue, 5a
AC1Q4RS5
4-(benzyloxy)benzonitrile
7472AB
OR4863
CTK1D4900
BDBM86781
HMS558H20
ZINC76272
ACMC-209l1v
SCHEMBL403151
FCH090097
CHEMBL2204754
CCG-1866
ZB002723
SBB094201
OR023934
A829259
K-9621
BC4133036
AX8094509
ANW-31553
AK-46888
CJ-00594
AJ-10379
AC-27866
KB-85922
ZX-AT011324
ZINC00076272
MFCD00079701
Maybridge1_005982
C-56649
Benzonitrile, 4-(phenylmethoxy)-
BBV-112390
ST50408391
TR-018707
Oprea1_847556
AKOS000113852
ACM52805364|1
FT-0617665
BB 0244138
I01-13362
MCULE-3806909478
52805-36-4
431946-37-1
MolPort-000-145-549
Microorganism:

Yes

IUPAC name4-phenylmethoxybenzonitrile
SMILESC1=CC=C(C=C1)COC2=CC=C(C=C2)C#N
InchiInChI=1S/C14H11NO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,11H2
FormulaC14H11NO
PubChem ID561371
Molweight209.248
LogP3.4
Atoms27
Bonds28
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationBenzenoids Ethers N-Compounds nitrogen compounds nitriles

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Trivialis 3Re2-7n/aKai et al., 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Trivialis 3Re2-7n/an/a


Hexanenitrile

Mass-Spectra

Compound Details

Synonymous names
Hexanonitrile
HEXANENITRILE
Capronitrile
Tricapronile
AILKHAQXUAOOFU-UHFFFAOYSA-N
n-Capronitrile
Pentyl cyanide
Amyl Cyanide
1-Cyanopentane
AC1L1ZEO
n-Caproic nitrile
n-Pentyl cyanide
n-Amyl cyanide
Hexanenitrile, 98%
NSC1076
S1XKP5498P
CTK2F3537
WLN: NC5
ACMC-209n9n
UNII-S1XKP5498P
NSC 1076
NSC-1076
DTXSID0060858
(C6-C12)Alkylnitrile
OR035532
LP105348
SBB060051
ZINC1587817
LS-75141
TL8004299
AN-46913
ANW-34425
KB-77743
Nitriles, C6-12
ZINC01587817
MFCD00001979
AI3-28396
TC-123170
ST51046304
AKOS000158157
BRN 1633601
FT-0623444
I14-106895
628-73-9
EINECS 211-052-0
EINECS 268-081-7
68002-67-5
4-02-00-00930 (Beilstein Handbook Reference)
InChI=1/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H
Microorganism:

Yes

IUPAC namehexanenitrile
SMILESCCCCCC#N
InchiInChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
FormulaC6H11N
PubChem ID12352
Molweight97.161
LogP1.87
Atoms18
Bonds17
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationNitriles nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaStreptomycesYPD agarGCxGC-TOFMSno


(Z)-octadec-9-enenitrile

Compound Details

Synonymous names
Olsaeurenitril
Oleylonitrile
Oleoylnitrile
Oleonitrile
olenitrile
Oleanitrile
UIAMCVSNZQYIQS-KTKRTIGZSA-N
Oleyl nitrile
Oleic nitrile
Oleic acid nitrile
cis-9-octadecenenitrile
AC1O4WMY
Olsaeurenitril [German]
(Z)-9-OCTADECENENITRILE
HSDB 5580
59F4912BUE
LP008041
DTXSID3026934
SCHEMBL1958159
UNII-59F4912BUE
LS-97739
AN-22723
(Z)-octadec-9-enenitrile
ZINC95740440
CHEBI:133637
(9Z)-octadec-9-enenitrile
9-Octadecenenitrile, (Z)-
BRN 1102081
9-Octadecenenitrile, (9Z)-
112-91-4
EINECS 204-016-0
9-Octadecenoic acid (cis), nitrile (cis)
4-02-00-01668 (Beilstein Handbook Reference)
Microorganism:

Yes

IUPAC name(Z)-octadec-9-enenitrile
SMILESCCCCCCCCC=CCCCCCCCC#N
InchiInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3/b10-9-
FormulaC18H33N
PubChem ID6420241
Molweight263.469
LogP6.84
Atoms52
Bonds51
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationNitriles nitrogen compounds

mVOC Specific Details

Solubility
INSOLUBLE IN WATER; SOLUBLE IN ALCOHOL
Literature: Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-404

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo