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1,3-Butanediol

Description References

1,3-Butanediol

CAS No.107-88-0
Chemical Name:1,3-Butanediol
CBNumber:CB7758265
Molecular Formula:C4H10O2
Formula Weight:90.12
MOL File:107-88-0.mol

1,3-Butanediol Property

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℃)
PH Range 6 - 7 at 20 °C
Odor odorless
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℃
FDA 21 CFR 172.712; 173.220; 573.225; 175.105; 175.320; 177.1200; 177.1210; 177.1680; 178.2010
Substances Added to Food (formerly EAFUS) 1,3-BUTYLENE GLYCOL
CAS DataBase Reference 107-88-0(CAS DataBase Reference)
FDA UNII 3XUS85K0RA
NIST Chemistry Reference 1,3-Butanediol(107-88-0)
EPA Substance Registry System 1,3-Butylene glycol (107-88-0)
UNSPSC Code 85151701
NACRES NA.24

Safety

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

NFPA 704:

	1
1		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313

1,3-Butanediol Price More Price(21)

Brand: Sigma-Aldrich(India)
Product number: B84785
Product name : (±)-1,3-Butanediol
Purity: ReagentPlus?, 99.5%
Packaging: 100ML
Price: ₹1732
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: B84785
Product name : (±)-1,3-Butanediol
Purity: ReagentPlus?, 99.5%
Packaging: 1L
Price: ₹3377.4
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: B84785
Product name : (±)-1,3-Butanediol
Purity: ReagentPlus?, 99.5%
Packaging: 2.5L
Price: ₹6592.43
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: B84785
Product name : (±)-1,3-Butanediol
Purity: ReagentPlus?, 99.5%
Packaging: 20L
Price: ₹40528.8
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: B84785
Product name : (±)-1,3-Butanediol
Purity: ReagentPlus?, 99.5%
Packaging: 18L
Price: ₹69258.35
Updated: 2022/06/14
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1,3-Butanediol Chemical Properties,Usage,Production

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 Butylene glycol occurs as a clear, colorless, viscous liquid with a sweet flavor and bitter aftertaste.
Chemical Properties colourless liquid
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.
Definition ChEBI: A butanediol compound having two hydroxy groups in the 1- and 3-positions.
Preparation From formaldehyde and propylene via pressure and a catalyst.
Production Methods Butylene glycol is prepared by catalytic hydrogenation of aldol using Raney nickel.
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).