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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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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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,1-4H2InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-NSmiles
C(CCO)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.