1,4-Butanediol

Modify Date: 2026-06-29 17:57:03

1,4-Butanediol Structure
1,4-Butanediol structure
 Common Name 1,4-Butanediol
CAS Number 110-63-4 Molecular Weight 90.121
Density 1.0±0.1 g/cm3 Boiling Point 228.0±0.0 °C at 760 mmHg
Molecular Formula C4H10O2 Melting Point 20 °C
MSDS N/A Flash Point 105.9±13.0 °C

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name butane-1,4-diol
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.0±0.1 g/cm3
Boiling Point 228.0±0.0 °C at 760 mmHg
Melting Point 20 °C
Molecular Formula C4H10O2
Molecular Weight 90.121
Flash Point 105.9±13.0 °C
Exact Mass 90.068077
PSA 40.46000
LogP -1.02
Vapour density 3.1 (vs air)
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.441
InChIKey WERYXYBDKMZEQL-UHFFFAOYSA-N
SMILES OCCCCO
Stability Stable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides.
Water Solubility Miscible

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK0525000
CHEMICAL NAME :
1,4-Butanediol
CAS REGISTRY NUMBER :
110-63-4
BEILSTEIN REFERENCE NO. :
1633445
LAST UPDATED :
199712
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C4-H10-O2
MOLECULAR WEIGHT :
90.14
WISWESSER LINE NOTATION :
Q4Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 3,110,1948
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Rectal
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
429 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 3,110,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1525 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Blood - other changes
REFERENCE :
HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(1-3),41,1968
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
15 gm/m3/4H
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
INHTE5 Inhalation Toxicology. (Hemisphere Publishing Corp., c/o Taylor & Francis Inc., 1900 Frost Rd., Suite 101, Bristol, PA 19007) V.1- 1989- Volume(issue)/page/year: 3,379,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1070 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 26,597,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2062 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Blood - other changes
REFERENCE :
HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(1-3),41,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 49,385,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2531 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Blood - other changes
REFERENCE :
HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(1-3),41,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Blood - other changes
REFERENCE :
HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(1-3),41,1968 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5460 mg/kg/26W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Metabolism (Intermediary) - other carbohydrates
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 33(1),37,1968
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
14 gm/kg/28D-I
TOXIC EFFECTS :
Blood - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases
REFERENCE :
PJOMEY Polish Journal of Occupational Medicine. (Polish Journal of Occupational Medicine, P.O. Box 199, 90-950 Lodz, Poland) V.1-3; 1988-90. Discontinued. Volume(issue)/page/year: 3,421,1990
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5200 mg/m3/6H/2W-I
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
INHTE5 Inhalation Toxicology. (Hemisphere Publishing Corp., c/o Taylor & Francis Inc., 1900 Frost Rd., Suite 101, Bristol, PA 19007) V.1- 1989- Volume(issue)/page/year: 3,379,1991 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0752 No. of Facilities: 226 (estimated) No. of Industries: 7 No. of Occupations: 22 No. of Employees: 16785 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0752 No. of Facilities: 759 (estimated) No. of Industries: 21 No. of Occupations: 25 No. of Employees: 16811 (estimated) No. of Female Employees: 3870 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xn:Harmful
Risk Phrases R22
Safety Phrases S36
WGK Germany 1
RTECS EK0525000
Packaging Group I; II; III
Hazard Class 6.1
HS Code 2905399090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2905399002
Summary 2905399002 butane-1,4-diol。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:5.5%。general tariff:30.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

1,4-Butandiol
1,4-Butanediol
Dabco BDO
MFCD00002968
EINECS 203-786-5
Diol 14B
BDO
butane-1,4-diol
agrisynthb1d
1,4-Dihydroxybutane
1,4-Butylene Glycol
Butanediol
1,4-BD
sucolb
4-hydroxybutanol
Tetramethylene Glycol
1,4-Butylene glycol,Tetramethylene glycol

 1,4-Butanediol | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of butane-1,4-diol?
A: SMILES notation of butane-1,4-diol is OCCCCO.
Q: What is the CAS number of butane-1,4-diol?
A: CAS number of butane-1,4-diol is 110-63-4.
Q: What is the molecular formula of butane-1,4-diol?
A: Molecular formula of butane-1,4-diol is C4H10O2.
Q: What is the LogP of butane-1,4-diol?
A: LogP of butane-1,4-diol is -1.02.
Q: What is the safety information for butane-1,4-diol?
A: Safety information for butane-1,4-diol: S36.
Q: What are the downstream products of butane-1,4-diol?
A: Related downstream products(CAS) of butane-1,4-diol: 110365-01-0;4096-21-3;6517-80-2;5835-79-0;53161-64-1;3891-33-6;17832-28-9;5371-52-8;638-37-9;542-28-9.
Q: What English synonyms does butane-1,4-diol have?
A: English synonyms of butane-1,4-diol: 1,4-Butandiol, 1,4-Butanediol, Dabco BDO, MFCD00002968, EINECS 203-786-5, Diol 14B, BDO, butane-1,4-diol, agrisynthb1d, 1,4-Dihydroxybutane, 1,4-Butylene Glycol, Butanediol, 1,4-BD, sucolb, 4-hydroxybutanol, Tetramethylene Glycol, 1,4-Butylene glycol,Tetramethylene glycol.
Q: What is the boiling point of butane-1,4-diol?
A: Boiling point of butane-1,4-diol is 228.0±0.0 °C at 760 mmHg.
Q: What are the upstream materials of butane-1,4-diol?
A: Related upstream materials(CAS) of butane-1,4-diol: 110-65-6;110-94-1;124-04-9;110-15-6;96-48-0;50-00-0;74-86-2;617-48-1;23055-10-9;110-17-8.
Q: How is the water solubility of butane-1,4-diol?
A: Water solubility of butane-1,4-diol: Miscible.

 1,4-Butanediolfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Zhongshan Xingrui Chemical Co. , Ltd.
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