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Substance Name: 3-Methyl-1-phenyl-3-pentanol
RN: 10415-87-9
UNII: 53PK0CX9TS
InChIKey: AEJRTNBCFUOSEM-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H18-O

Molecular Weight

  • 178.273
 
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Names and Synonyms

Name of Substance

  • 3-Methyl-1-phenyl-3-pentanol

Synonyms

  • 1-Phenyl-3-methyl-3-pentanol
  • 3-Pentanol, 3-methyl-1-phenyl-
  • 4-06-00-03420 (Beilstein Handbook Reference)
  • AI3-24336
  • alpha-Ethyl-alpha-methylbenzenepropanol
  • Benzenepropanol, alpha-ethyl-alpha-methyl-
  • BRN 2354074
  • EINECS 233-889-0
  • FEMA No. 2883
  • NSC 60568
  • Pemec
  • Phenethylmethylethylcarbinol
  • Phenylethyl methyl ethyl carbinol
  • UNII-53PK0CX9TS

Systematic Names

  • 3-Methyl-1-phenylpentan-3-ol
  • 3-Pentanol, 3-methyl-1-phenyl-
  • Benzenepropanol, alpha-ethyl-alpha-methyl-

Superlist Name

  • 3-Methyl-1-phenyl-3-pentanol

Registry Numbers

CAS Registry Number

  • 10415-87-9

FDA UNII

  • 53PK0CX9TS

Other Registry Number

  • 7321-45-1

System Generated Number

  • 0010415879

Structure Descriptors

InChI

1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3

InChIKey

AEJRTNBCFUOSEM-UHFFFAOYSA-N

Smiles

C([C@@](CC)(C)O)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 891, 1979.
rat LD50 oral 2950mg/kg (2950mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 891, 1979.