Butylphenylacetonitrile

CAS Registry Number®

3508-98-3

CAS Name

Butylphenylacetonitrile

Molecular Formula

C12H15N

Molecular Mass

173.25

Cite this Page

Butylphenylacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3508-98-3 (retrieved 2025-01-21) (CAS RN: 3508-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    135-136 °C @ Press: 10 Torr

  • Density (2)

    0.9311 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H15N/c1-2-3-7-12(10-13)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7H2,1H3

InChIKey

InChIKey=OTERUZJEJFMEEB-UHFFFAOYSA-N

SMILES

C(CCCC)(C#N)C1=CC=CC=C1

Canonical SMILES

N#CC(C=1C=CC=CC1)CCCC

Other Names for this Substance

  • Benzeneacetonitrile, α-butyl-
  • Hexanenitrile, 2-phenyl-
  • α-Butylbenzeneacetonitrile
  • Butylphenylacetonitrile
  • α-Phenylcaprononitrile

View All

Deleted or Replaced CAS Registry Numbers

90355-13-8