Results for:
PubChem ID: 160602

2-isocyanatoethylbenzene

Compound Details

Synonymous names
Phenethyl isocyanate
1943-82-4
(2-Isocyanatoethyl)benzene
Phenylethyl isocyanate
2-Phenylethyl Isocyanate
2-Phenylethylisocyanate
2-isocyanatoethylbenzene
Phenylethylisocyanate
Benzene, (2-isocyanatoethyl)-
CHEBI:60067
W78MJV7AIA
(2-Isocyanato-ethyl)-benzene
MFCD00037044
2-PHENETHYL ISOCYANATE
Isocyanic Acid Phenethyl Ester
Isocyanic Acid 2-Phenylethyl Ester
phenylethyl-isocyanat
phenylethyl-isocyanate
phenyl ethyl isocyanate
2-phenylethyl-isocyanate
UNII-W78MJV7AIA
ss--Phenylethyl isocyanate
2-isocyanato-ethyl-benzene
Epitope ID:140103
(2-phenyl)ethyl isocyanate
EC 413-080-0
Phenethyl isocyanate, 98%
SCHEMBL5918
.beta.-Phenylethyl isocyanate
CHEMBL2074871
DTXSID10173052
AMY37072
BDBM50073656
STK504606
AKOS003384170
ISOCYANIC ACID, PHENETHYL ESTER
MCULE-5298777161
DB-021500
NS00008638
P1677
D92144
EN300-270963
J-500826
Q27127052
F2160-0015
Microorganism:

Yes

IUPAC name2-isocyanatoethylbenzene
SMILESC1=CC=C(C=C1)CCN=C=O
InchiInChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
FormulaC9H9NO
PubChem ID160602
Molweight147.17
LogP2.9
Atoms11
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds isocyanates benzenoids nitrogen compounds
CHEBI-ID60067

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno