Name | 1,4-Butanediol |
Synonyms | BDO 1,4-Butanediol 1,4-BUTANEDIOL butane-1,4-diol butane-1,1-diol BUTANEDIOL, 1,4- AKOS BBS-00004303 1,4-DIHYDROXYBUTANE 1,4-BUTYLENE GLYCOL 1,4-Butylene glycol TETRAMETHYLENE GLYCOL Tetramethylene glycol VERSALINK CURATIVE 1,4 BDO |
CAS | 110-63-4 |
EINECS | 203-786-5 |
InChI | InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2 |
InChIKey | WERYXYBDKMZEQL-UHFFFAOYSA-N |
Molecular Formula | C4H10O2 |
Molar Mass | 90.12 |
Density | 1.017 g/mL at 25 °C (lit.) |
Melting Point | 16 °C (lit.) |
Boling Point | 230 °C (lit.) |
Flash Point | 135 °C |
Water Solubility | Miscible |
Solubility | Slightly soluble in ether, miscible with water, soluble in ethanol, etc. |
Vapor Density | 3.1 (vs air) |
Appearance | Transparent micro viscous liquid |
Color | Clear colorless |
Odor | Odorless |
BRN | 1633445 |
pKa | 14.73±0.10(Predicted) |
PH | 7-8 (500g/l, H2O, 20℃) |
Storage Condition | Store below +30°C. |
Stability | Stable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides. |
Sensitive | Hygroscopic |
Explosive Limit | 1.95-18.3%(V) |
Refractive Index | n20/D 1.445(lit.) |
MDL | MFCD00002968 |
Physical and Chemical Properties | Colorless oily liquid. melting point 20.2 ℃ boiling point 228 ℃ relative density 1.0171 refractive index 1.4461 flash point 121 ℃ solubility is miscible with water. Soluble in methanol, ethanol, acetone, slightly soluble in ether. |
Use | Used as solvents and moisturizers, but also for the preparation of plasticizers, drugs, polyester resins, polyurethane resins, etc |
Hazard Symbols | Xn - Harmful |
Risk Codes | R22 - Harmful if swallowed R67 - Vapors may cause drowsiness and dizziness |
Safety Description | S36 - Wear suitable protective clothing. S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
WGK Germany | 1 |
RTECS | EK0525000 |
TSCA | Yes |
HS Code | 29053980 |
Toxicity | LD50 orally in Rabbit: 1525 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
Raw Materials | Formaldehyde acetylene |
Downstream Products | 2,3-Dihydrofuran gamma-butyrolactone Polyurethane Polyvinylpyrrolidone |
Reference Show more | 1. [IF=7.848] Qingqing Li et al."Extremely Stretchable and Tough Piezoelectric Gels for Artificial Electronic Skin."Advanced Materials Technologies. 2021 Dec 29 |
colorless oily liquid, flammable, miscible with water. Soluble in methanol, ethanol, acetone, slightly soluble in ether. Boiling point 228 °c. Melting point 20.2 °c. Flash point (Open Cup) 121 °c. The relative density was 1. 0171. Refractive index 4461.
mainly used in the manufacture of tetrahydrofuran, γ-butyrolactone, polyurethane and thermoplastic engineering plastic PBT resin. Can also be prepared N-methyl pyrrolidone, N-vinyl pyrrolidone and other pyrrolidone derivatives, also used in the preparation of vitamin B6, pesticides, herbicides and used as a variety of process solvents, plasticizers, lubricants, moisturizers, softeners, adhesives and brighteners for the electroplating industry.
LogP | -0.88 at 25℃ |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
introduction | 1, 4-butanediol is a colorless viscous liquid and can react with strong oxidants. It is an important basic organic chemical raw material, mainly used in the production of poly (dibutyl terephthalate) (PBT), polyurethane, γ-butyrolactone and tetrahydrofuran. |
Uses | It is used as a chromatographic analysis reagent and also used in organic synthesis 1, 4-butanediol has a wide range of uses. More than half of it is used in the production of tetrahydrofuran in the United States and Western Europe, followed by the production of γ-butyrolactone and polybutylene terephthalate, which are rapidly developing engineering plastics; 1, 4-butanediol As a chain extender and polyester raw material, it is used to produce polyurethane elastomers and flexible polyurethane foams; esters made of 1, 4-butanediol are good plasticizers for cellulose, polyvinyl chloride, polyacrylate and polyester. 1, 4-butanediol has good hygroscopicity and flexibility, and can be used as a gelatin softener and water absorbent, cellophane and other unused paper treatment agents. It can also prepare N-methylpyrrolidone, N-vinylpyrrolidone and other pyrrolidone derivatives, and is also used to prepare vitamin B6, pesticides, herbicides, and solvents that act on various processes, Plasticizers, lubricants, humidification agents, softness, adhesives and brighteners in the electroplating industry. Reagents for chemical analysis, used as gas chromatography stationary liquid. Used as solvent, non-toxic antifreeze, food emulsifier, moisture absorbent, used in organic synthesis. Pharmaceutical, food industry. Solvent. Humectant. Intermediate of plasticizer. Crosslinkers for the manufacture of polyurethane elasto bodies. Organic synthesis. Manufacture of tetrahydrofuran. |
production method | 1. acetylene method firstly reacts with acetylene and formaldehyde in the presence of Cu-Bi catalyst at 98kPa and 80-95 ℃ to prepare 1, 4-butynediol. The latter is then hydrogenated to 1,4-butanediol by skeleton nickel catalysis at 1.372-2.06MPa and 50-60 ℃, followed by Ni-Cu-Mn/Al2O3 further catalytic hydrogenation (13.7-20.6MPa, 120-140 ℃) to 1,4-butanediol, metal ions are removed by ion exchange resin, and then purified by distillation. 2. Maleic anhydride hydrogenation method 3. Butadiene method is made by acetyl oxidation reaction of 1,3-butadiene with acetic acid and oxygen to generate 1, 4-diacetoxy-2-butene, which is then hydrogenated and hydrolyzed. 4.1, 4-dichlorobutene method 1,4-dichlorobutene is an intermediate product in the process of butadiene production of chloroprene. It is used as a raw material to obtain 1,4 through hydrolysis and hydrogenation. Butanediol. |
category | flammable liquid |
toxicity classification | poisoning |
acute toxicity | oral-rat LD50: 1525 mg/kg; Oral-mouse LD50: 2062 mg/kg |
flammability hazard characteristics | when heated, open flame is flammable; burning produces stimulating smoke |
storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant |
fire extinguishing agent | dry powder, foam, water |
auto-ignition temperature | 698 °F |
toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |