1,3-Butanediol

Modify Date: 2025-08-21 08:53:41

1,3-Butanediol Structure
1,3-Butanediol structure
Common Name 1,3-Butanediol
CAS Number 107-88-0 Molecular Weight 90.121
Density 1.0±0.1 g/cm3 Boiling Point 207.0±0.0 °C at 760 mmHg
Molecular Formula C4H10O2 Melting Point -54ºC
MSDS Chinese USA Flash Point 121.1±0.0 °C

 Use of 1,3-Butanediol


1,3-Butanediol, an ethanol dimer providing a source of calories for human nutrition. 1,3-Butanediol is converted in the body to β-hydroxybutyrate and has cerebral protective and hypoglycaemic effect[1][2].

 Names

Name butane-1,3-diol
Synonym More Synonyms

 1,3-Butanediol Biological Activity

Description 1,3-Butanediol, an ethanol dimer providing a source of calories for human nutrition. 1,3-Butanediol is converted in the body to β-hydroxybutyrate and has cerebral protective and hypoglycaemic effect[1][2].
Related Catalog
References

[1]. C Marie, et al. Protective action of 1,3-butanediol in cerebral ischemia. A neurologic, histologic, and metabolic study. J Cereb Blood Flow Metab. 1987 Dec;7(6):794-800.

[2]. R B Tobin,et al. Nutritional and metabolic studies in humans with 1,3-butanediol. Fed Proc. 1975 Nov;34(12):2171-6.

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 207.0±0.0 °C at 760 mmHg
Melting Point -54ºC
Molecular Formula C4H10O2
Molecular Weight 90.121
Flash Point 121.1±0.0 °C
Exact Mass 90.068077
PSA 40.46000
LogP -0.69
Vapour density 3.1 (20 °C, vs air)
Vapour Pressure 0.1±0.8 mmHg at 25°C
Index of Refraction 1.438
Stability Stable. Flammable. Hygroscopic - protect from air and moisture. Incompatible with strong oxidizing agents.
Water Solubility SOLUBLE

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK0440000
CHEMICAL NAME :
1,3-Butanediol
CAS REGISTRY NUMBER :
107-88-0
BEILSTEIN REFERENCE NO. :
1731276
LAST UPDATED :
199712
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C4-H10-O2
MOLECULAR WEIGHT :
90.14
WISWESSER LINE NOTATION :
QY1&2Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,207,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,207,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
18610 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,14,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12980 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 45,669,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10276 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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>20 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,14,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
11 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
42360 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 5(4),189,1986 *** REVIEWS *** TOXICOLOGY REVIEW JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 4(5),223,1985 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83068 No. of Facilities: 1532 (estimated) No. of Industries: 13 No. of Occupations: 22 No. of Employees: 36963 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83068 No. of Facilities: 1070 (estimated) No. of Industries: 13 No. of Occupations: 17 No. of Employees: 19336 (estimated) No. of Female Employees: 5266 (estimated)

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
Hazard Codes F
Risk Phrases R36/37/38
Safety Phrases S24/25
RIDADR NONH for all modes of transport
WGK Germany 1
RTECS EK0440000
HS Code 2905399090

 Customs

HS Code 2905399090
Summary 2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

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 Synonyms

1,3-Butanediol
EINECS 203-529-7
(±)-1,3-Butanediol
Butane-1,3-diol
1,3-Butylene glycol
Butylene glycol
MFCD00004554
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