iso-Butylbenzene

CAT: 0572-TRC-B692695-10GSize: 10 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-B692695-10GSize:10 g

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CAS Number

538-93-2

Synonyms

Benzene, (2-methylpropyl)-; Benzene, isobutyl- (8CI); (2-Methylpropyl)benzene; 2-Methyl-1-phenylpropane; Isobutylbenzene; NSC 24848; i-Butylbenzene; iso-Butylbenzene

Hazard Statement

Flammable liquid and vapour; UN number: UN2709; Packing Group: III

Purity

>95% (HPLC)

Smiles

CC(C)Cc1ccccc1

Molecular Formula

C10 H14

Molecular Weight

134.22

InChI

InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Additionnal Information

IUPAC name: 2-methylpropylbenzene

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Isobutylbenzene

Isobutylbenzene is an alkylbenzene that is benzene carrying an isobutyl substituent.

CAS Number	538-93-2
PubChem CID	10870
IUPAC Name	2-methylpropylbenzene
Molecular Formula	C10H14
Molecular Weight	134.22
XLogP	3.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	78

SMILES

CC(C)CC1=CC=CC=C1

InChI

InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

KXUHSQYYJYAXGZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 538-93-2

CID: 10870

Formula: C10H14

MW: 134.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	134.22
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	134.109550447
Monoisotopic Mass	134.109550447
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	78
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TRC-B690830-100G	Butylbenzene
TRC-B690830-50G	Butylbenzene
TRC-B690830-10G	Butylbenzene
TRC-T135895-5G	tert-Butylbenzene
TRC-B692705-50G	sec-Butylbenzene
TRC-B692705-1G	sec-Butylbenzene
TRC-B692705-10G	sec-Butylbenzene
TRC-T135895-10G	tert-Butylbenzene
TRC-T135895-1G	tert-Butylbenzene
T135897	tert-Butylbenzene-d14

Alternative Products

Catalog	Name
452498-01	Iso-Butylbenzene
abx188630	Butylbenzene
465990-01	Sec-Butylbenzene
S-665	N-Butylbenzene
sc-251138A	Tert-Butylbenzene
B27630-01	Tert-Butylbenzene 99%
B27610-01	N-Butylbenzene 99%
sc-224571	1-Bromo-4-butylbenzene
OR1095580	1-bromo-3-butylbenzene
240008-01	N-Butylbenzene 99+% (GC)

iso-Butylbenzene

Chemical Information

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