1,4-Butanediol

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

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

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

Name	butane-1,4-diol
Synonym	More Synonyms

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

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

1,4-Butanediol MSDS(Chinese)

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)

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

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

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:110-65-6 2-Butine-1,4-diol CAS#:110-94-1 Glutaric acid CAS#:124-04-9 Adipic acid CAS#:110-15-6 Succinic acid
CAS#:96-48-0 gamma-Butyrolactone CAS#:50-00-0 Formaldehyde CAS#:74-86-2 Acetylene CAS#:617-48-1 (±)-Malic Acid
CAS#:23055-10-9 DIMETHYL MALEATE CAS#:110-17-8 fumaric acid
DownStream 10
CAS#:110365-01-0 1,6,11,16-tetra... CAS#:4096-21-3 1-Phenylpyrrolidine CAS#:6517-80-2 4-phenylaminobu... CAS#:5835-79-0 4-AMINO-N-BENZY...
CAS#:53161-64-1 4-(4-morpholin-... CAS#:3891-33-6 1,4-divinyloxybutane CAS#:17832-28-9 4-(Vinyloxy)-1-... CAS#:5371-52-8 2-Hydroxytetrah...
CAS#:638-37-9 Succinaldehyde CAS#:542-28-9 delta-Valerolactone

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%

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

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.

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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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 1,4-Butanediol
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: 1,4-Butanediol
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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1,4-Butanediol

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