1,4-Butanediol

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Names

[ CAS No. ]:
110-63-4

[ Name ]:
1,4-Butanediol

[Synonym ]:
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

Chemical & Physical Properties

[ 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

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides.

[ Water Solubility ]:
Miscible

MSDS

Click to get detail MSDS

Toxicological Information

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

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Butine-1,4-diol
Glutaric acid
Adipic acid
Succinic acid
gamma-Butyrolactone
Formaldehyde
Acetylene
(±)-Malic Acid
DIMETHYL MALEATE
fumaric acid

DownStream

1,6,11,16-tetraoxacycloicosane-2,5,12,15-tetrone
1-Phenylpyrrolidine
4-phenylaminobutan-1-ol
4-AMINO-N-BENZYLBENZAMIDE
4-(4-morpholin-4-ylbutyl)morpholine
1,4-divinyloxybutane
4-(Vinyloxy)-1-butanol
2-Hydroxytetrahydrofuran
Succinaldehyde
delta-Valerolactone

Customs

[ 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%

Related Compounds

1,4-Butanediol-d10
1,4-butanediol,tBDMS
1,4-Butanediol formal
1,4-Butanediol,bis-TMS
2-hexyl-1,4-butanediol
2-Heptyl-1,4-butanediol
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
(E)-3-(furan-2-yl)-N-(1-(4-(pyridin-3-yl)thiazol-2-yl)piperidin-4-yl)acrylamide
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
(4-Methyl-tetrahydro-furan-2-yl)-methanol
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
tert-Butyl-DL-alanine
4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide