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Substance Name: Propanoic acid, 2-methyl-, 2,2,4-trimethylpentyl ester
RN: 36679-74-0
InChIKey: BEOXQMJRQFNOGX-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Synonyms

  • 2,2,4-Trimethylpentyl 2-methylpropanoate
  • 2,2,4-Trimethylpentyl isobutyrate
  • 2,2,4-Trimethylpentyl monoisobutyrate
  • 2-02-00-00261 (Beilstein Handbook Reference)
  • AI3-32644
  • BRN 1765518

Systematic Name

  • Propanoic acid, 2-methyl-, 2,2,4-trimethylpentyl ester

Registry Numbers

CAS Registry Number

  • 36679-74-0

System Generated Number

  • 0036679740

Structure Descriptors

InChI

1S/C12H24O2/c1-9(2)7-12(5,6)8-14-11(13)10(3)4/h9-10H,7-8H2,1-6H3

InChIKey

BEOXQMJRQFNOGX-UHFFFAOYSA-N

Smiles

C(OCC(CC(C)C)(C)C)(=O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 16mL/kg (16mL/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 193, 1992.
rat LD50 oral 7500uL/kg (7.5mL/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: ATAXIA
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 193, 1992.