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Structure

Benzene,(3-methylbutyl)-

CAS
2049-94-7
Catalog Number
ACM2049947
Category
Other Products
Molecular Weight
148.24
Molecular Formula
C11H16

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Specification

Synonyms
Isopentylbenzene, Isoamylbenzene, Isobutyltoluene, Benzene, isopentyl-, Toluene, isobutyl-, Benzene, (3-methylbutyl)-, 1-Phenyl-3-methylbutane, 2-Methyl-4-phenylbutane, 3-Methyl-1-phenylbutane, (3-Methyl-1-butyl)benzene, (3-METHYLBUTYL)BENZENE, 59110_FLUKA, NSC62142, EINECS 218-075-5, ST5412081, 2049-94-7, InChI=1/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H, 28517-37-5
IUPAC Name
3-methylbutylbenzene
Canonical SMILES
CC(C)CCC1=CC=CC=C1
InChI Key
XNXIYYFOYIUJIW-UHFFFAOYSA-N
Boiling Point
193ºC at 760mmHg
Flash Point
65ºC
Density
0.861g/cm³
EC Number
218-075-5
Exact Mass
148.12500
H-Bond Acceptor
0
H-Bond Donor
0
Safety Description
S23-S24/25
WGK Germany
3
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