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Substance Name: 2,2-Dimethylvaleric acid
RN: 1185-39-3
UNII: 95233IS466
InChIKey: ZRYCZAWRXHAAPZ-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Name of Substance

  • 2,2-Dimethylvaleric acid

Synonyms

  • 2,2-Dimethylpentanoic acid
  • 2,2-Dimethylvaleric acid
  • 4-02-00-00976 (Beilstein Handbook Reference)
  • alpha,alpha-Dimethylvaleric acid
  • BRN 1747703
  • EINECS 214-682-4
  • NSC 61983
  • Pentanoic acid, 2,2-dimethyl-
  • UNII-95233IS466

Systematic Names

  • 2,2-Dimethylvaleric acid
  • Pentanoic acid, 2,2-dimethyl- (9CI)
  • Valeric acid, 2,2-dimethyl-

Registry Numbers

CAS Registry Number

  • 1185-39-3

FDA UNII

  • 95233IS466

System Generated Number

  • 0001185393

Structure Descriptors

InChI

1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)

InChIKey

ZRYCZAWRXHAAPZ-UHFFFAOYSA-N

Smiles

C(C(O)=O)(CCC)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Neuropharmacology. Vol. 24, Pg. 427, 1985.
mouse LD50 intravenous 740mg/kg (740mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Neuropharmacology. Vol. 24, Pg. 427, 1985.