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Substance Name: 1,4-Butanediol
RN: 110-63-4
UNII: 7XOO2LE6G3
InChIKey: WERYXYBDKMZEQL-UHFFFAOYSA-N

Classification Codes

  • Human Data
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C4-H10-O2

Molecular Weight

  • 90.121
 

Names and Synonyms

Name of Substance

  • 1,4-Butanediol

Synonyms

  • 1,4-BD
  • 1,4-Butanediol
  • 1,4-Butylene glycol
  • 1,4-Dihydroxybutane
  • 1,4-Tetramethylene glycol
  • 4-01-00-02515 (Beilstein Handbook Reference)
  • Agrisynth B1D
  • AI3-07553
  • BRN 1633445
  • Butane-1,4-diol
  • Butanediol
  • CCRIS 5984
  • DIOL 14B
  • EC 203-786-5
  • EINECS 203-786-5
  • HSDB 1112
  • NSC 406696
  • Sucol B
  • Tetramethylene 1,4-diol
  • Tetramethylene glycol
  • UNII-7XOO2LE6G3

Systematic Names

  • 1,4-Butanediol
  • Butane-1,4-diol

Superlist Name

  • 1,4-Butanediol

Registry Numbers

CAS Registry Number

  • 110-63-4

FDA UNII

  • 7XOO2LE6G3

Other Registry Numbers

  • 1204746-06-4
  • 1400594-63-9
  • 732189-03-6

System Generated Number

  • 0000110634

Structure Descriptors

InChI

1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2

InChIKey

WERYXYBDKMZEQL-UHFFFAOYSA-N

Smiles

C(CCO)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1200mg/kg (1200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: OTHER CHANGES

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Hygiene and Sanitation Vol. 33(1-3), Pg. 41, 1968.
man LDLo rectal 429mg/kg (429mg/kg)   Pharmazie. Vol. 3, Pg. 110, 1948.
mouse LD50 intraperitoneal 1650mg/kg (1650mg/kg)   Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979.
mouse LD50 oral 2062mg/kg (2062mg/kg) BLOOD: OTHER CHANGES

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Hygiene and Sanitation Vol. 33(1-3), Pg. 41, 1968.
rabbit LD50 oral 2531mg/kg (2531mg/kg) BLOOD: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Hygiene and Sanitation Vol. 33(1-3), Pg. 41, 1968.
rat LCLo inhalation 15gm/m3/4H (15000mg/m3)   Inhalation Toxicology. Vol. 3, Pg. 379, 1991.
rat LCLo inhalation 15gm/m3/4H (15000mg/m3) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Inhalation Toxicology. Vol. 3, Pg. 379, 1991.
rat LD50 intraperitoneal 1070mg/kg (1070mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 26, Pg. 597, 1974.
rat LD50 oral 1525mg/kg (1525mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: OTHER CHANGES

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Hygiene and Sanitation Vol. 33(1-3), Pg. 41, 1968.
women LDLo unreported 300mg/kg (300mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Pharmazie. Vol. 3, Pg. 110, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 20.1 deg C   EXP
Boiling Point 235 deg C   EXP
pKa Dissociation Constant 14.5 (none) 25 EXP
log P (octanol-water) -0.83 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.0105 mm Hg 25 EXP
Henry's Law Constant 1.30E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-11 cm3/molecule-sec 25 EST

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