1,3-Butanediol Chemical Properties

Melting point:

-54 °C

Boiling point:

203-204 °C(lit.)

Density 

1.005 g/mL at 25 °C(lit.)

vapor density 

3.1 (20 °C, vs air)

vapor pressure 

0.06 mm Hg ( 20 °C)

refractive index 

n20/D 1.44(lit.)

Flash point:

250 °F

storage temp. 

Store below +30°C.

solubility 

>500g/lMiscible

form 

Liquid

pka

14.83±0.20(Predicted)

Specific Gravity

1.004 – 1.007

color 

Clear colorless to yellow, may discolor to brown on storage

PH

6.1 (500g/l, H2O, 20℃)

Odor

odorless

PH Range

6 - 7 at 20 °C

explosive limit

1.9-12.6%(V)

Water Solubility 

SOLUBLE

Sensitive 

Hygroscopic

Merck 

14,1567

BRN 

1731276

Stability:

Stable. Flammable. Hygroscopic - protect from air and moisture. Incompatible with strong oxidizing agents.

LogP

-0.9 at 25℃

CAS DataBase Reference

107-88-0(CAS DataBase Reference)

NIST Chemistry Reference

1,3-Butanediol(107-88-0)

EPA Substance Registry System

1,3-Butylene glycol (107-88-0)

Safety Information

Safety Statements 

24/25

WGK Germany 

1

RTECS 

EK0440000

F 

3

Autoignition Temperature

741 °F

TSCA 

Yes

HS Code 

29053920

Hazardous Substances Data

107-88-0(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 18610 mg/kg LD50 dermal Rabbit > 20000 mg/kg

MSDS

• Language:English Provider:1,3-Butanediol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

1,3-Butanediol Usage And Synthesis

Description

1,3-Butanediol is an organic chemical which belongs to the family of secondary alcohols. At present, 1,3-butanediol is used mainly in surfactants, inks, solvents for natural and synthetic flavoring agents and serves as a co-monomer in manufacturing certain polyurethane and polyester resins. It can also serve as a humectant to prevent loss of moisture in cosmetics, particularly in hair sprays and setting lotions. Besides, 1,3-Butanediol is pharmaceutically involved in the production of colchicine derivatives as a anticancer agent and in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as a hypoglycaemic agent, which is effective for the treatment of diabetes.

References

https://en.wikipedia.org/wiki/1,3-Butanediol
https://www.trc-canada.com/product-detail/?B690010
http://www.hmdb.ca/metabolites/HMDB31320
https://www.alfa.com/zh-cn/catalog/A11684/

Chemical Properties

1,3-Butanediol is a colorless oily liquid. Sp.Gr. 1.00. B.P. 207℃. Miscible with water, soluble in alcohol and many perfume and flavor materials, but poorly soluble in hydrocarbons (terpenes, etc.). 1,3-Butylene glycol has a sweet flavor with bitter aftertaste and is odorless when pure.

Chemical Properties

colourless liquid

Chemical Properties

Butylene glycol occurs as a clear, colorless, viscous liquid with a sweet flavor and bitter aftertaste.

Uses

(^+)-1,3-Butanediol acts as a co-monomer in the production of polyurethane and polyester resins. It is used as a humectant (to prevent loss of moisture) in cosmetics, especially in hair sprays and setting lotions. It is used in surfactants, inks, solvents for natural and synthetic flavorings. It is involved in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as euglycemic agents, which is used in the treatment of diabetes.

Uses

Its most extensive use is as an intermediate in the manufacture of polyester plasticisers and other chemical products. It finds some use as a solvent and humectant, a useful chemical intermediate. It has extensive application in the manufacture of structural materials for boats, custom mouldings, and sheets and boards for construction applications. 1,3-Butanediol imparts resistance to weathering plus flexibility and impact resistance. It is also used in the manufacture of saturated polyesters for polyurethane coatings, where the glycol imparts greater flexibility to the polyester molecule. 1,3-Butanediol is currently used in many personal care products.

Uses

1,3-Butanediol is used in the synthesis of colchicine derivatives as anticancer agents. Also used in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as euglycem ic agents in the treatment of diabetes.

Preparation

From formaldehyde and propylene via pressure and a catalyst.

Production Methods

Butylene glycol is prepared by catalytic hydrogenation of aldol using Raney nickel.

Definition

ChEBI: A butanediol compound having two hydroxy groups in the 1- and 3-positions.

Aroma threshold values

Detection: 70 to 100 ppm

General Description

(±)-1,3-Butanediol (BD) is a 1,3-diol. Its vapor pressure upto 270kPa, liquid-phase densities over a temperature range, two-phase (liquid + vapor) heat capacities, critical temperature and critical density have been determined. The obtained data was employed to derive various thermophysical properties.

Flammability and Explosibility

Not classified

Pharmaceutical Applications

Butylene glycol is used as a solvent and cosolvent for injectables. It is used in topical ointments, creams, and lotions, and it is also used as a vehicle in transdermal patches. Butylene glycol is a good solvent for many pharmaceuticals, especially estrogenic substances.
In an oil-in-water emulsion, butylene glycol exerts its best antimicrobial effects at ～8% concentration. Higher concentrations above 16.7% are required to inhibit fungal growth.

Contact allergens

This dihydric alcohol is used for its humectant and preservative potentiator properties in cosmetics, topical medicaments and polyurethane, polyester, cellophane, and cigarettes. It has similar properties, but is less irritant than propylene glycol. Contact allergies seem to be rare.

Side effects

1,3-Butanediol is commonly used as a solvent in food flavourings and is mildly toxic by oral and subcutaneous routes, with possible side effects including severe respiratory problems, coma, amnesia, belligerence, confusion, agitation, vomiting, seizures and very slow heartbeat. People who use butylene glycol on a regular basis and then stop using it may also experience withdrawal symptoms such as sleep problems (insomnia), tremors and anxiety.

Safety Profile

Mdly toxic by ingestion and subcutaneous routes. A skin and eye irritant. See also ETHYLENE GLYCOL. Experimental reproductive effects. Combustible when exposed to heat or flame. Incompatible with oxidizing materials. To fight fire, use foam, alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.

Safety

Butylene glycol is used in a wide variety of cosmetic formulations and is generally regarded as a relatively nontoxic material. It is mildly toxic by oral and subcutaneous routes.
In topical preparations, butylene glycol is regarded as minimally irritant. Butylene glycol can cause allergic contact dermatitis, with local sensitivity reported in patch tests. Some local irritation is produced on eye contact.
LD₅₀ (guinea pig, oral): 11.0 g/kg
LD₅₀ (mouse, oral): 12.98 g/kg
LD₅₀ (rat, oral): 18.61 g/kg
LD₅₀ (rat, SC): 20.0 g/kg

Carcinogenicity

There were no tumors found in the 2-year feeding studies on dogs and rats . Thus, it appears that 1,3-butanediol is not carcinogenic.

storage

Butylene glycol is hygroscopic and should be stored in a well-closed container in a cool, dry, well-ventilated place. When heated to decomposition, butylene glycol emits acrid smoke and irritating fumes.

Incompatibilities

Butylene glycol is incompatible with oxidizing reagents.

Regulatory Status

GRAS listed. Included in the FDA Inactive Ingredients Database (transdermal patches). Included in licensed medicines in the UK (topical gel patches/medicated plasters).

1,3-Butanediol(107-88-0)Related Product Information

• Ethylene glycol diacetate
• Diethylene glycol
• Dipropylene glycol
• Triclosan
• 2,3-Butanediol
• 2-Butoxyethyl acetate
• 3-Diethylaminophenol
• 1-BUTENE
• 2-Butoxyethanol
• 1-Hydroxyethylidene-1,1-diphosphonic acid
• 2-Methyl-2,4-pentanediol
• Ethylene glycol
• 1,4-Butanediol
• 1,3-Dihydroxyacetone
• 2-Butyne-1,4-diol
• Chrysin
• Butylated Hydroxytoluene
• PROPYLENE GLYCOL