Results for:
PubChem ID: 12100

1-ethyl-3-methylbenzene

Mass-Spectra

Compound Details

Synonymous names
3-Ethyltoluene
620-14-4
1-Ethyl-3-methylbenzene
M-ETHYLTOLUENE
1-Methyl-3-ethylbenzene
Benzene, 1-ethyl-3-methyl-
m-Ethylmethylbenzene
m-Methylethylbenzene
Toluene, m-ethyl-
3-Methylethylbenzene
3-Ethyl-d5-toluene
NSC 74176
1-Ethyl-3-methyl-benzene
CHEMBL31274
737PTD7O7E
DTXSID6050386
CHEBI:77512
NSC-74176
3-Ethyltoluene 100 microg/mL in Methanol
3-ethyl-1-methylbenzene
EINECS 210-626-8
UNII-737PTD7O7E
m-Ethyl_toluene
meta-Ethyltoluene
3-ethylmethylbenzene
1,3-methylethylbenzene
3-Ethyltoluene, 97%
3-Ethyltoluene, 99%
ETHYLTOLUENE, M-
Benzene, 3-ethyl-1-methyl-
BIDD:ER0585
DTXCID807876
1-ETHYL 3-METHYL BENZENE
NSC74176
Tox21_202857
BBL103656
BDBM50167946
MFCD00009259
STL557466
AKOS009158576
CS-W013572
MCULE-5855615432
NCGC00260403-01
CAS-620-14-4
DB-054039
E0185
NS00002303
EN300-32024
F11740
A868581
Q27105073
Z337707758
InChI=1/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H
Microorganism:

Yes

IUPAC name1-ethyl-3-methylbenzene
SMILESCCC1=CC=CC(=C1)C
InchiInChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
FormulaC9H12
PubChem ID12100
Molweight120.19
LogP3.6
Atoms9
Bonds1
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
CHEBI-ID77512
Supernatural-IDSN0473343

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
ProkaryotaStreptococcus Mutans as a biomarker for a breath test for detection of cariesNAHertel et al. 2016
ProkaryotaSerratia Sp.NANAEtminani et al. 2022
ProkaryotaPantoea Sp.NANAEtminani et al. 2022
ProkaryotaPseudomonas Sp.NANAEtminani et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
ProkaryotaStreptococcus MutansBrain-Heart-Infusion agarTenax-trap/GC-MSno
ProkaryotaSerratia Sp.nutrient agar (NA)GC–MSno
ProkaryotaPantoea Sp.nutrient agar (NA)GC–MSno
ProkaryotaPseudomonas Sp.nutrient agar (NA)GC–MSno