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Substance Name: beta-Butyrolactone
RN: 3068-88-0
UNII: 8BB68V31MT
InChIKey: GSCLMSFRWBPUSK-UHFFFAOYSA-N

Molecular Formula

  • C4-H6-O2

Molecular Weight

  • 86.0894
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 2B
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Names and Synonyms

Name of Substance

  • beta-Butyrolactone

Synonyms

  • 3-Hydroxybutanoic acid, beta-lactone
  • 3-Hydroxybutyric acid lactone
  • 4-Methyl-2-oxetanone
  • beta-Butyrolactone
  • beta-Butyrolakton
  • beta-Butyrolakton [Czech]
  • CCRIS 111
  • EINECS 221-330-3
  • EINECS 253-093-7
  • Hydroxybutyric acid lactone
  • UNII-8BB68V31MT

Systematic Names

  • (1)-4-Methyloxetan-2-one
  • 2-Oxetanone, 4-methyl-
  • 4-Methyloxetan-2-one
  • beta-Butyrolactone

Superlist Names

  • 2-Oxetanone, 4-methyl-
  • beta-Butyrolactone

Registry Numbers

CAS Registry Number

  • 3068-88-0

FDA UNII

  • 8BB68V31MT

Other Registry Numbers

  • 36536-46-6
  • 43137-57-1

System Generated Number

  • 0003068880

Structure Descriptors

InChI

1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3

InChIKey

GSCLMSFRWBPUSK-UHFFFAOYSA-N

Smiles

C1[C@@H](OC1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 1/20/1966,
rat LD50 oral 17200uL/kg (17.2mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.380 (none)   EST
Water Solubility 1.53E+04 mg/L 18 EXP
Vapor Pressure 1.650 mm Hg 25 EST
Henry's Law Constant 1.03E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.34E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.