Results for:
PubChem ID: 69601

Prop-1-ynylbenzene

Mass-Spectra

Compound Details

Synonymous names
1-Phenyl-1-propyne
673-32-5
Prop-1-yn-1-ylbenzene
Prop-1-ynylbenzene
Benzene, 1-propynyl-
Methylphenylacetylene
1-Phenylpropyne
phenylpropyne
1-Propynylbenzene
Prop-1-ynyl-benzene
MFCD00009272
1-Methyl-2-phenylacetylene
CHEMBL105998
448376BFQC
53621-07-1
1-Phenylpropyne-1
UNII-448376BFQC
Methylphenylethyne
Phenylmethylacetylene
EINECS 211-607-7
1-penyl-1-propine
1-phenyl-1-propine
Propyne, 1-phenyl-
(prop-1-yn-1-yl)benzene
ghl.PD_Mitscher_leg0.471
1-Phenyl-1-propyne, 99%
DTXSID10217667
BDBM50026185
AKOS015888271
CS-W013608
MCULE-3601815161
CS-17361
SY048557
DB-055018
NS00042390
P0219
D71012
EN300-315540
Q27258719
InChI=1/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H
Microorganism:

Yes

IUPAC nameprop-1-ynylbenzene
SMILESCC#CC1=CC=CC=C1
InchiInChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3
FormulaC9H8
PubChem ID69601
Molweight116.16
LogP3
Atoms9
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkynes unsaturated hydrocarbons

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANAMellors et al. 2018
EukaryotaTuber BrumaleFortywoodland of the Basilicata regionMauriello et al. 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H9TD/GCxGC-MSno
EukaryotaTuber Brumalemicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no