1,3-Butanediol CAS 107-88-0
Introduction：Basic information about 1,3-Butanediol CAS 107-88-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1,3-Butanediol Basic informationDescription References
| Product Name: | 1,3-Butanediol |
| Synonyms: | (±)-butane-1,3-diol;1,3-Butandiol;Methyltrimethylene;Methyltrimethylene glycol;methyltrimethyleneglycol;1-METHYLTRIMETHYLENE GLYCOL;1,3-DIHYDROXYBUTANE;1,3-BUTANEDIOL |
| CAS: | 107-88-0 |
| MF: | C4H10O2 |
| MW: | 90.12 |
| EINECS: | 203-529-7 |
| Product Categories: | Anhydrous Solvents;Solvent Bottles;Solvent by Application;Solvent Packaging Options;Solvents;Sure/Seal Bottles;Cnbio |
| Mol File: | 107-88-0.mol |
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 | n |
| Fp | 250 °F |
| storage temp. | Store below +30°C. |
| solubility | >500g/lMiscible |
| pka | 14.83±0.20(Predicted) |
| form | Liquid |
| color | Clear colorless to yellow, may discolor to brown on storage |
| Specific Gravity | 1.004 – 1.007 |
| Odor | odorless |
| PH | 6.1 (500g/l, H2O, 20℃) |
| 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. |
| Cosmetics Ingredients Functions | SKIN CONDITIONING SOLVENT VISCOSITY CONTROLLING HUMECTANT FRAGRANCE |
| InChI | 1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 |
| InChIKey | PUPZLCDOIYMWBV-UHFFFAOYSA-N |
| SMILES | CC(O)CCO |
| 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 | TSCA listed |
| HS Code | 29053920 |
| Storage Class | 10 - Combustible liquids |
| Hazardous Substances Data | 107-88-0(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 18610 mg/kg LD50 dermal Rabbit > 20000 mg/kg |
| 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 | colourless liquid |
| Chemical Properties | Butylene glycol occurs as a clear, colorless, viscous liquid with asweet flavor and bitter aftertaste. |
| 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. |
| 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 | 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 euglycemic agents 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. |
| Definition | ChEBI: A butanediol compound having two hydroxy groups in the 1- and 3-positions. |
| Production Methods | Butylene glycol is prepared by catalytic hydrogenation of aldolusing Raney nickel. |
| Preparation | From formaldehyde and propylene via pressure and a catalyst. |
| 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 alsoused as a vehicle in transdermal patches. Butylene glycol is a goodsolvent for many pharmaceuticals, especially estrogenic substances. In an oil-in-water emulsion, butylene glycol exerts its bestantimicrobial effects at ～8% concentration. Higher concentrationsabove 16.7% are required to inhibit fungal growth. |
| Contact allergens | This dihydric alcohol is used for its humectant and preservativepotentiator properties in cosmetics, topicalmedicaments and polyurethane, polyester, cellophane,and cigarettes. It has similar properties, but is less irritantthan 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 formulationsand is generally regarded as a relatively nontoxic material. It ismildly toxic by oral and subcutaneous routes. In topical preparations, butylene glycol is regarded as minimallyirritant. Butylene glycol can cause allergic contact dermatitis, withlocal sensitivity reported in patch tests. Some local irritationis 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 inthe 2-year feeding studies on dogs and rats . Thus, itappears that 1,3-butanediol is not carcinogenic. |
| storage | Butylene glycol is hygroscopic and should be stored in a well-closedcontainer in a cool, dry, well-ventilated place. When heated todecomposition, butylene glycol emits acrid smoke and irritatingfumes. |
| 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 Preparation Products And Raw materials
| Raw materials | PROPYLENE-->Butyraldehyde-->ALDOL |
| Preparation Products | 1,3-Dimethoxybutane |
