2049-94-7

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2049-94-7 Structure

Identification	More
[Name] ISOAMYLBENZENE
[CAS] 2049-94-7
[Synonyms] 1-ISOPENTYLBENZENE (3-METHYL-1-BUTYL)BENZENE 3-METHYL-1-PHENYLBUTANE (3-METHYLBUTYL)BENZENE ISOAMYLBENZENE ISOPENTYLBENZENE 1-Phenyl-3-methylbutane 2-Methyl-4-phenylbutane Benzene, isopentyl- benzene,(3-methylbutyl)- Methylbutylbenzene (3-METHYLBUTYL)BENZENE 98+% ISOPENTYLBENZENE, 95%+ (3-Methyl-1-butyl)benzene, Isoamylbenzene
[EINECS(EC#)] 218-075-5
[Molecular Formula] C11H16
[MDL Number] MFCD00008948
[Molecular Weight] 148.24
[MOL File] 2049-94-7.mol

Chemical Properties	Back Directory
[Melting point ] -44.72°C (estimate)
[Boiling point ] 197 °C (lit.)
[density ] 0.854 g/mL at 20 °C(lit.)
[refractive index ] n20/D 1.486
[Fp ] 65 °C
[storage temp. ] 2-8°C
[form ] clear liquid
[color ] Colorless to Almost colorless
[BRN ] 1855612
[InChI] 1S/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
[InChIKey] XNXIYYFOYIUJIW-UHFFFAOYSA-N
[SMILES] CC(C)CCc1ccccc1
[CAS DataBase Reference] 2049-94-7(CAS DataBase Reference)

Safety Data	Back Directory
[Safety Statements ] S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S24/25:Avoid contact with skin and eyes .
[WGK Germany ] 3
[HS Code ] 2902.90.3050
[Storage Class] 10 - Combustible liquids

Hazard Information	Back Directory
[Uses] (3-Methylbutyl)benzene can be used as an oily ink compositions for ball-point pens.
[Synthesis Reference(s)] Tetrahedron, 50, p. 13231, 1994 DOI: 10.1016/S0040-4020(01)89331-5

Spectrum Detail	Back Directory
[Spectrum Detail] ISOAMYLBENZENE(2049-94-7)MS ISOAMYLBENZENE(2049-94-7)¹HNMR ISOAMYLBENZENE(2049-94-7)¹³CNMR ISOAMYLBENZENE(2049-94-7)IR1

Well-known Reagent Company Product Information	Back Directory
[Sigma Aldrich] 2049-94-7(sigmaaldrich)
[TCI AMERICA] (3-Methylbutyl)benzene,>98.0%(GC)(2049-94-7)

2049-94-7 suppliers list

Company Name:	Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel:	4006356688 18621169109
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