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Substance Name: Dimethyl benzyl carbinyl butyrate
RN: 10094-34-5
UNII: 3Q0C60547R
InChIKey: SHSGYHAHMQLYRB-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H20-O2

Molecular Weight

  • 220.31
 
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Names and Synonyms

Name of Substance

  • Dimethyl benzyl carbinyl butyrate

Synonyms

  • 1,1-Dimethyl-2-phenylethyl butanoate
  • 2-Benzyl-2-propyl butyrate
  • alpha,alpha-Dimethylphenethyl butyrate
  • Benzyl dimethyl carbinyl butyrate
  • Benzyl dimethylcarbinyl butyrate
  • Benzyl dimethylcarbinyl n-butyrate
  • Butanoic acid, 1,1-dimethyl-2-phenylethyl ester
  • Butyric acid, alpha,alpha-dimethylphenethyl ester
  • Dimethyl benzyl carbinyl butyrate
  • Dimethylbenzylcarbinyl butyrate
  • Dmbc butyrate
  • EINECS 233-221-8
  • FEMA No. 2394
  • UNII-3Q0C60547R

Systematic Names

  • alpha,alpha-Dimethylphenethyl butyrate
  • Butanoic acid, 1,1-dimethyl-2-phenylethyl ester
  • Butyric acid, alpha,alpha-dimethylphenethyl ester

Superlist Name

  • alpha,alpha-Dimethylphenethyl butyrate

Registry Numbers

CAS Registry Number

  • 10094-34-5

FDA UNII

  • 3Q0C60547R

System Generated Number

  • 0010094345

Structure Descriptors

InChI

1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3

InChIKey

SHSGYHAHMQLYRB-UHFFFAOYSA-N

Smiles

c1(CC(OC(CCC)=O)(C)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 667, 1980.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 667, 1980.