1,4-Butanediol

Modify Date: 2025-08-20 12:31:20

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

Name butane-1,4-diol
Synonym More Synonyms

 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

 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

 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%

 Synonyms

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
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