Iso-Pentylbenzene
[CAS# 1595-04-6]

Identification

• Name: Iso-Pentylbenzene
• Synonyms: 1-Butyl-3-Methyl-Benzene; 1-Methyl-3-N-Butylbenzene; Benzene, 1-Butyl-3-Methyl-
• Molecular Formula: C₁₁H₁₆
• Molecular Weight: 148.25
• CAS Registry Number: 1595-04-6
• SMILES: C1=C(C=CC=C1CCCC)C
• InChI: 1S/C11H16/c1-3-4-7-11-8-5-6-10(2)9-11/h5-6,8-9H,3-4,7H2,1-2H3
• InChIKey: OAPCPUDMDJIBOQ-UHFFFAOYSA-N

Properties

• Density: 0.864g/cm³ (Cal.)
• Boiling point: 205.096°C at 760 mmHg (Cal.)
• Flash point: 70.726°C (Cal.)