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Substance Name: 2-Pentylcinnamic alcohol
RN: 101-85-9
UNII: DKB52S61GU
InChIKey: LIPHCKNQPJXUQF-SDNWHVSQSA-N

Note

  • Synthetic fragrance & allergen.

Molecular Formula

  • C14-H20-O

Molecular Weight

  • 204.311
 
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Names and Synonyms

Name of Substance

  • 2-Pentylcinnamic alcohol

Synonyms

  • 1-Heptanol, 2-(phenylmethylene)-
  • 1-Heptanol, 2-benzylidene-
  • 2-(Phenylmethylene)-1-heptanol
  • 2-Amyl-3-phenyl-2-propen-1-ol
  • 2-Benzylidene-1-heptanol
  • 2-Benzylideneheptanol
  • 3-06-00-02542 (Beilstein Handbook Reference)
  • AI3-28807
  • alpha-Amylcinnamic alcohol
  • alpha-Amylcinnamyl alcohol
  • alpha-Pentylcinnamyl alcohol
  • BRN 3127316
  • Buxinol
  • EINECS 202-982-8
  • FEMA No. 2065
  • UNII-DKB52S61GU

Systematic Names

  • 1-Heptanol, 2-(phenylmethylene)-
  • 1-Heptanol, 2-benzylidene-
  • 2-Pentyl-3-phenylprop-2-en-1-ol

Superlist Name

  • alpha-Amylcinnamyl alcohol

Registry Numbers

CAS Registry Number

  • 101-85-9

FDA UNII

  • DKB52S61GU

Other Registry Number

  • 1082692-84-9

System Generated Number

  • 0000101859

Structure Descriptors

InChI

1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11+

InChIKey

LIPHCKNQPJXUQF-SDNWHVSQSA-N

Smiles

c1(\C=C(/CCCCC)CO)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 817, 1974.
rat LD50 oral 4gm/kg (4000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 817, 1974.