Results for:
PubChem ID: 12100

1-ethyl-3-methylbenzene

Mass-Spectra

Compound Details

Synonymous names
m-Methylethylbenzene
m-Ethylmethylbenzene
ZLCSFXXPPANWQY-UHFFFAOYSA-N
meta-Ethyltoluene
3-ethylmethylbenzene
3-Methylethylbenzene
M-ETHYLTOLUENE
3-Ethyltoluene
AC1L1YUI
1,3-methylethylbenzene
3-ethyl toluene
KSC489I0L
1-Ethyl-3-methylbenzene
CHEMBL31274
ACMC-209myv
1-Methyl-3-ethylbenzene
3-ethyl-1-methylbenzene
737PTD7O7E
CTK3I9405
E0185
Z1676
ACT07964
NSC74176
NE30723
BIDD:ER0585
Toluene, m-ethyl-
UNII-737PTD7O7E
C14522
SBB061444
OR132612
OR012324
DTXSID6050386
1-Ethyl-3-methyl-benzene
AK135890
CHEBI:77512
DSSTox_CID_7876
ZINC1699560
3-Ethyltoluene, 99%
QC-10764
NSC 74176
TL8004014
NSC-74176
AJ-30402
ANW-34037
TRA0051426
LS-30343
KB-31629
AB0043746
DSSTox_GSID_50386
SC-90803
CJ-28618
CJ-06643
ZINC01699560
DSSTox_RID_83511
BDBM50167946
MFCD00009259
ST24037993
RTR-021327
ST51047457
1-Ethyl-3-methylbenzene(3-ethyltoluene)
TR-021327
DB-054039
AKOS009158576
FT-0615669
I01-10410
Benzene, 1-ethyl-3-methyl-
Tox21_202857
Benzene, 3-ethyl-1-methyl-
620-14-4
NCGC00260403-01
MCULE-5855615432
Toluene, m-ethyl- (8CI)
EINECS 210-626-8
CAS-620-14-4
MolPort-003-925-442
15403-EP2305683A1
15403-EP2311839A1
15403-EP2314589A1
15403-EP2316837A1
Benzene, 1-ethyl-3-methyl- (9CI)
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
Molweight120.195
LogP3.44
Atoms21
Bonds21
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkylbenzenes benzenoids

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
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 357n/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
BacteriaStreptococcus Mutans DSM 20523 as a biomarker for a breath test for detection of cariesHertel et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
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 357yeast 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
BacteriaStreptococcus Mutans DSM 20523Brain-Heart-Infusion agarTenaxâ„¢-trap/GC-MS