(2,2-Dimethyl-1-propyl)benzene

• CAS: 1007-26-7
• Catalog Number: ACM1007267
• Category: Arenes
• Molecular Weight: 148.24
• Molecular Formula: C₁₁H₁₆
• Synonyms: Neopentyl benzene, Benzene, neopentyl-, NEOPENTYLBENZENE, 2,2-dimethylpropyl)benzene, Benzene, (2,2-dimethylpropyl)-, (2,2-Dimethylpropyl)benzene, 359076_ALDRICH, (2,2-Dimethyl-1-propyl)benzene, MolPort-001-766-755, CID13877, TL8000073, P1013, I01-7153, 1007-26-7, InChI=1/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H
• IUPAC Name: 2,2-dimethylpropylbenzene
• Canonical SMILES: CC(C)(C)CC1=CC=CC=C1
• InChI Key: CJGXJKVMUHXVHL-UHFFFAOYSA-N
• Boiling Point: 185-186ºC(lit.)
• Flash Point: 123 °F
• Density: 0.858 g/mL at 25ºC(lit.)
• Appearance: clear colorless liquid
• Exact Mass: 148.12500
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Packing Group: III
• RIDADR: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
• Safety Description: S16
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of (2,2-Dimethyl-1-propyl)benzene?

The molecular formula is C11H16.

What is the molecular weight of (2,2-Dimethyl-1-propyl)benzene?

The molecular weight is 148.24 g/mol.

What is the IUPAC name of (2,2-Dimethyl-1-propyl)benzene?

The IUPAC name is 2,2-dimethylpropylbenzene.

What is the InChI of (2,2-Dimethyl-1-propyl)benzene?

The InChI is InChI=1S/C11H16/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.

What is the InChIKey of (2,2-Dimethyl-1-propyl)benzene?

The InChIKey is CJGXJKVMUHXVHL-UHFFFAOYSA-N.

What is the canonical SMILES of (2,2-Dimethyl-1-propyl)benzene?

The canonical SMILES is CC(C)(C)CC1=CC=CC=C1.

What is the CAS number of (2,2-Dimethyl-1-propyl)benzene?

The CAS number is 1007-26-7.

What is the EC number of (2,2-Dimethyl-1-propyl)benzene?

The EC number is 629-294-4.

What is the UNII of (2,2-Dimethyl-1-propyl)benzene?

The UNII is 7MHD03E509.

What is the XLogP3 value of (2,2-Dimethyl-1-propyl)benzene?

The XLogP3 value is 4.3.