1,4-Butanediol

1,4-Butanediol - Names and Identifiers

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

1,4-Butanediol - Physico-chemical Properties

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

1,4-Butanediol - Risk and Safety

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

1,4-Butanediol - Upstream Downstream Industry

Raw Materials	Formaldehyde acetylene
Downstream Products	2,3-Dihydrofuran gamma-butyrolactone Polyurethane Polyvinylpyrrolidone

1,4-Butanediol - Reference

Reference

1. [IF=7.848] Qingqing Li et al."Extremely Stretchable and Tough Piezoelectric Gels for Artificial Electronic Skin."Advanced Materials Technologies. 2021 Dec 29

1,4-Butanediol - Nature

Open Data Verified Data

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.

Last Update：2024-01-02 23:10:35

1,4-Butanediol - Preparation Method

Open Data Verified Data

in the acetylene method, 1, 4-butynediol was prepared by reacting acetylene and formaldehyde in the presence of Cu-Bi catalyst at 98kPa and 80-95 °c. The latter was catalyzed by the skeleton nickel. 372~2. 06MPa, 50~60 ℃ hydrogenation to 1, 4-butenedioic acid salt, followed by Ni-Cu- Mn/Al2 03 further catalytic hydrogenation (13.7~20. 6MPa, 120~140 deg C) into 1, 4-butanediol, the ion exchange resin to remove metal ions, and then purified by distillation to obtain pure product.
butadiene method from 1,3 A butadiene and acetic acid and oxygen for acetyl oxidation reaction, the formation of 1,4-= acetoxy -2-butene, and then after hydrogenation, prepared by hydrolysis.

Last Update：2022-01-01 10:34:41

1,4-Butanediol - Introduction

Flammable. It tastes bitter. Can be miscible with water, soluble in alcohol, slightly soluble in ether. Solely solidified in the coolant to form colorless needle-like crystals, react with dilute nitric acid to form succinic acid, and produce precipitation when encountering potassium carbonate solution

Last Update：2022-10-16 17:11:59

1,4-Butanediol - Use

Open Data Verified Data

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.

Last Update：2022-01-01 10:34:40

1,4-Butanediol - Safety

Open Data Verified Data

toxic. When attached to the diseased or injured skin or drink, it will initially exhibit an anesthetic effect, causing special pathological changes in the liver and kidneys, and then due to central nerve paralysis (no prolonged latency) sudden death. Mouse oral LD50 210 ~ 420mg/kg. Production equipment should be sealed to prevent leakage, and operators should wear protective equipment. Contact with this product is strictly prohibited for people with skin trauma.
the use of aluminum, stainless steel, galvanized iron drum or plastic drum packaging, or tank car according to the provisions of flammable and toxic goods storage and transport. Due to the melting point of up to 20 ° C, the tank car should be equipped with a heating tube.

Last Update：2022-01-01 10:34:41

1,4-Butanediol - Reference Information

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)