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2-Butene-1,4-diol

2-Butene-1,4-diol structure

CAS No:
110-64-5
Formula:
C4H8O2
Chemical Name:
2-Butene-1,4-diol
Synonyms:
2-Butene-1,4-diol;1,4-Dihydroxy-2-butene;NSC 1260;NSC 976;1,4-Dihydroxybutene
Categories:
Pharmaceutical Intermediates > Analgesics

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Description

Colorless to light yellow liquid

2-Butene-1,4-diol Basic Attributes

Molecular Weight：

88.11

Exact Mass：

88.11

EC Number：

228-085-1

DSSTox ID：

DTXSID9026849

Color/Form：

ALMOST COLORLESS LIQUID

HScode：

29053990

Characteristics

PSA：

40.46000

XLogP3：

-0.87

Appearance：

yellow

Density：

1.067-1.074 g/cm³

Melting Point：

7 °C

Boiling Point：

141-149 °C @ Press: 20 Torr

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.479

Water Solubility：

VERY SOL IN WATER, ETHYL ALCOHOL, ACETONE; SPARINGLY SOL IN BENZENE

Vapor Density：

3.0 (AIR= 1)

Toxicity：

Oral-rat LD50: 1250 mg/kg; intraperitoneal-rat LD50: 327 mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Odor：

ODORLESS

Safety Information

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

23-24/25-36-26

RTECS Number：

EM4970000

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501

Fire Fighting Procedures：

WATER OR FOAM MAY CAUSE FROTHING. "ALCOHOL" FOAM.

NFPA Hazard Classification：

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Toxicity

Toxicity class：

moderately toxic

Drug Information

Human Toxicity Excerpts：

PRIMARY SKIN IRRITANT.

MeSH Entry Terms：

2-butene-1,4-diol

2-Butene-1,4-diol Use and Manufacturing

Methods of Manufacturing

The preparation method is to catalyze the hydrogenation of 1, 4-butynediol to obtain 1, 4-butenediol. Mix 40% butynediol aqueous solution with 50% Raney nickel, add inhibitor ammonia water, pass hydrogen gas, the pressure is about 0.5kPa, until the theoretical hydrogen absorption. Filtration, the filtrate is distilled under reduced pressure, and the fraction of 110-114°C/8kPa is collected to obtain 1, 4-butenediol.

Uses

As a multifunctional organic compound, 2-Butene-1,4-diol has important applications in many fields due to its unique chemical properties, while also contributing to the development of chemical science and technology. 2-Butene-1, 4-DIol, an organic compound rich in active hydroxyl groups, plays a vital role in many industrial and chemical applications due to its unique chemical properties. As a multifunctional intermediate in chemical synthesis, it is used in a wide range of applications, from pesticide production to vitamin manufacturing. 2-butene-1,4-diol is widely used in the chemical industry. Its two hydroxyl groups enable it to participate in a variety of condensation, esterification and etherification reactions, and are commonly used in the preparation of various polymers and resins. For example, it can react with dibasic acids to form polyesters, which can be used to produce plastics, coatings and adhesives. In addition, through oxidation or peroxy-initiated polymerization, 2-butene-1,4-diol can be converted into polymers of high molecular weight, which have important applications in the rubber industry. In the pesticide industry, 2-butene-1,4-diol has received much attention due to its ability to participate in the synthesis of the endocrine disruptor 䓟 sulfonate in pesticides. Endo䓟 is a broad-spectrum pesticide that plays a key role in crop protection, and 2-butene-1,4-diol is a key ingredient in the production of this highly effective pesticide. At the same time, it is also an important precursor to the production of vitamin B series, which has a non-negligible contribution to human nutrition and health. Further expanding its application areas, 2-Butene-1, 4-DIol also plays an important role in the manufacture of chemical products. For example, it is used to make polyurethane foam, a material widely used in areas such as building insulation and furniture filling. In addition, it is an ingredient in coatings and adhesives, which plays a key role in improving the performance and durability of these products. The potential of 2-butene-1,4-diol goes far beyond that. Due to its unique molecular structure, researchers are exploring more possibilities in the field of polymer materials and fine chemicals. For example, it may be used to synthesize biodegradable polymers, which will have a profound impact on the environmental protection industry. At the same time, its application research in frontier fields such as conductive polymers is also gradually advancing, which is expected to open a new technological revolution. As a multifunctional, high-value organic compound, 2-butene-1, 4-DIol has broad application prospects in many industries such as chemical industry, materials industry and agriculture industry. With the deepening of scientific research, we have reason to believe that 2-butene-1,4-diol will play a greater role in the future development of science and technology and open a new chapter for more innovative applications.

Production

(1979) PROBABLY MORE THAN 2.27X10+6 GRAMS|(1981) PROBABLY MORE THAN 2.27X10+6 GRAMS

Manufacturing Info：

Agriculture, forestry, fishing and hunting|2-Butene-1,4-diol: ACTIVE|TECHNICAL BUTENEDIOL IS PREDOMINANTLY THE CIS-ISOMER.

Computed Properties

Molecular Weight:88.11
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:88.052429494
Monoisotopic Mass:88.052429494
Topological Polar Surface Area:40.5
Heavy Atom Count:6
Complexity:34.8
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ammonium hydroxide

Formaldehyde

Calcium carbide

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