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Substance Name: gamma-Valerolactone
RN: 108-29-2
UNII: O7056XK37X
InChIKey: GAEKPEKOJKCEMS-UHFFFAOYSA-N

Note

  • Metabolite of n-hexane.

Molecular Formula

  • C5-H8-O2

Molecular Weight

  • 100.116
 

Classification Codes

  • Mutation Data
  • Natural Product
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • gamma-Valerolactone

Synonyms

  • 2(3H)-Furanone, dihydr-5-methyl-
  • 2(3H)-Furanone, dihydro-5-methyl-
  • 4-Hydroxypentanoic acid lactone
  • 4-Hydroxyvaleric acid lactone
  • 4-Methyl-4-hydroxybutanoic acid lactone
  • 4-Methyl-gamma-butyrolactone
  • 4-Pentanolide
  • 4-Valerolactone
  • 5-17-09-00024 (Beilstein Handbook Reference)
  • 5-Methyltetrahydro-2-furanone
  • AI3-04327
  • BRN 0080420
  • CCRIS 3597
  • Dihydro-5-methyl-2(3H)-furanone
  • EINECS 203-569-5
  • FEMA No. 3103
  • gamma-Methyl-gamma-butyrolactone
  • gamma-Pentalactone
  • gamma-Valerolactone
  • gamma-Valerolakton
  • gamma-Valerolakton [Czech]
  • gamma-Valeryllactone
  • NSC 33700
  • Pentanoic acid, 4-hydroxy-, gamma-lactone
  • Pentanolide-1,4
  • UNII-O7056XK37X
  • Valeric acid, 4-hydroxy-, gamma-lactone

Systematic Names

  • 2(3H)-Furanone, dihydro-5-methyl-
  • gamma-Valerolactone

Superlist Name

  • gamma-Valerolactone

Registry Numbers

CAS Registry Number

  • 108-29-2

FDA UNII

  • O7056XK37X

Other Registry Number

  • 57129-69-8

System Generated Number

  • 0000108292

Structure Descriptors

InChI

1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3

InChIKey

GAEKPEKOJKCEMS-UHFFFAOYSA-N

Smiles

O1[C@@H](CCC1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intramuscular 2500mg/kg (2500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 189, 1942.
rabbit LD50 oral 2480mg/kg (2480mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 263, 1945.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 847, 1982.
rat LD50 oral 8800mg/kg (8800mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 263, 1945.