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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 name
1-ethyl-3-methylbenzene
SMILES
CCC1=CC=CC(=C1)C
Inchi
InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
Formula
C
9
H
1
2
PubChem ID
12100
Molweight
120.195
LogP
3.44
Atoms
21
Bonds
21
H-bond Acceptor
0
H-bond Donor
0
Chemical Classification
alkylbenzenes
benzenoids
mVOC Specific Details
MS-Links
MS-MS Spectrum 120295
MS-MS Spectrum 120296
MS-MS Spectrum 120294
MS-MS Spectrum 63346
MS-MS Spectrum 63347
MS-MS Spectrum 63345
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Fungi
Fusarium Graminearum 15AcDON
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON 1001ta
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON ZFR 29
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_4
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_8
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 15AcDON_9
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1002t
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 11791
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 1509
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON 8046
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL38369
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON NRRL6394
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 15
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 37
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum 3AcDON ZFR 51
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV 357
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 119
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 23
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV ZFR 48
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_5
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_6
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_7
n/a
Busko et al., 2014
Fungi
Fusarium Graminearum NIV_8
n/a
Busko et al., 2014
Bacteria
Streptococcus Mutans DSM 20523
as a biomarker for a breath test for detection of caries
Hertel et al., 2015
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Fungi
Fusarium Graminearum 15AcDON
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON 1001ta
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON ZFR 29
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_4
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_8
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 15AcDON_9
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1002t
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 11791
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 1509
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON 8046
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL38369
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON NRRL6394
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 15
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 37
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum 3AcDON ZFR 51
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV 357
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 119
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 23
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV ZFR 48
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_5
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_6
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_7
yeast extract sucrose agar
SPME/GC-MS
Fungi
Fusarium Graminearum NIV_8
yeast extract sucrose agar
SPME/GC-MS
Bacteria
Streptococcus Mutans DSM 20523
Brain-Heart-Infusion agar
Tenaxâ„¢-trap/GC-MS