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Substance Name: Hexyl pivalate
RN: 5434-57-1
UNII: 5D5OEG991O
InChIKey: RQSINLZXJXXKOH-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H22-O2

Molecular Weight

  • 186.293
 
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Names and Synonyms

Results Name

  • Hexyl pivalate

Name of Substance

  • Hexyl pivalate

Synonyms

  • 1-Hexyl pivalate
  • AI3-20486
  • BRN 2205493
  • EINECS 226-602-5
  • Hexyl 2,2-dimethylpropanoate
  • Hexyl 2,2-dimethylpropionate
  • Hexyl neopentanoate
  • Hexyl pivalate
  • NSC 15684
  • Pivalic acid, hexyl ester
  • Propanoic acid, 2,2-dimethyl-, n-hexyl ester
  • UNII-5D5OEG991O

Systematic Names

  • Hexyl pivalate
  • Pivalic acid, hexyl ester
  • Propanoic acid, 2,2-dimethyl-, hexyl ester

Registry Numbers

CAS Registry Number

  • 5434-57-1

FDA UNII

  • 5D5OEG991O

System Generated Number

  • 0005434571

Structure Descriptors

InChI

1S/C11H22O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h5-9H2,1-4H3

InChIKey

RQSINLZXJXXKOH-UHFFFAOYSA-N

Smiles

CCCCCCOC(C(C)(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 723, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 723, 1982.