1,4-Butyrolactone

Organic compound

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synonym Butyrolactone (Butyrolactone) generally refers to 1,4-butyrolactone

This entry is made by Compilation and application of scientific encyclopedia entries of "Science Popularization China" to examine.

1,4-butyrolactone, also known as γ - butyrolactone, is an organic compound with the chemical formula C four H six O two , with a molecular weight of 86.089, is a colorless transparent liquid, which is used to produce cyclopropamide, pyrrolidone and other drugs, as well as industrial solvent, diluent, curing agent, etc, It is listed as the third category of precursor chemicals control.^[2]

On October 27, 2017, the list of carcinogens published by the International Agency for Research on Cancer of the World Health Organization (WHO) was preliminarily sorted out for reference, and γ - butyrolactone was included in the list of three types of carcinogens.^[4]

Chinese name: 1,4-Butyrolactone
Foreign name: 1,4-Butyrolactone
Alias: γ - butyrolactone 、 4-hydroxybutyrolactone 、 γ - hydroxybutyrolactone
chemical formula: C four H six O two
molecular weight: eighty-six point zero eight nine
CAS login number: 96-48-0
EINECS login number: 202-509-5
Melting point: -44 ℃

Boiling point: 206 ℃
Water solubility: Soluble
Density: 1.12 g/cm³
Appearance: Colorless oily liquid
Flash point: 99.2 ℃
Security description: S26；S36；S39
Hazard symbol: Xn
Hazard description: R22；R36

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essential information

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Chemical formula: C four H six O two

Molecular weight: 86.089

CAS No.: 96-48-0

EINECS No.: 202-509-5

Physical and chemical properties

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physical property

Density: 1.12g/cm three

Melting point: - 44 ℃

Boiling point: 206 ℃

Flash point: 99.2 ℃

Saturated vapor pressure: 2.0kPa (20 ℃)

Critical temperature: 457.8 ℃

Critical pressure: 5.13MPa

Upper explosive limit（ V / V ）：16％

Lower explosive limit（ V / V ）：1.4％

Refractive index: 1.4348 (25 ℃)

Appearance: colorless oily liquid

Solubility: miscible with water, soluble in organic solvents such as methanol, ethanol, ether and benzene^[3]

chemical property

1. Hydrolyzable formation γ - hydroxybutyric acid 。

2. Oxidizable formation Succinic acid ； Reduction to 4-hydroxybutyraldehyde, and then reduction to 1,4-Butanediol 。

3. Condensable generation α , α -Dihydroxy ketone internal acetal.

4. Can be used with CH three NH two Reaction N-methyl-2-pyrrolidone 。

5. Generatible Tetrahydrofuran 。

6. Can work with SO three Reaction to butyrolactone- α -Sulfonic acid.

7. It can react with NaCN to form 2-piperidone 。

8. Can react with CO to form Glutaric acid 。

9. Can be used with Na two S reaction produces sulfosaccinic acid.

10. Can work with NA two SO three The reaction produces γ - sulfobutyrate sodium.^[1]

Molecular structure data

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Molar refractive index: 20.18

Molar volume (cm three /mol）：76.2

Isotonic specific volume (90.2K): 186.0

Surface tension (dyne/cm): 35.4

Polarization (10 -24 cm three ）：8.00^[3]

Calculate chemical data

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Reference value for drainage parameter calculation (XlogP): None

Number of hydrogen bond donors: 0

Number of hydrogen bond receptors: 2

Number of rotatable chemical bonds: 0

Number of tautomers: 2

Topological molecular polar surface area: 26.3

Number of heavy atoms: 6

Surface charge: 0

Complexity: 67.9

Number of isotope atoms: 0

Determine the number of atomic structure centers: 0

Number of uncertain atomic structure centers: 0

Determine the number of chemical bond structure centers: 0

Number of uncertain chemical bond structure centers: 0

Number of covalent bond units: 1^[3]

toxicology data

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1. Acute toxicity: oral - rat LD five 0：1540 mg/kg； Oral - Mouse LD fifty ：1720 mg/kg

2. It is of low toxicity. It is irritant to the skin and easy to be absorbed by the skin. Contact with the skin should be prevented.^[3]

Regulatory information

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1,4-butyrolactone (precursor - 3) is controlled by the public security department according to the Regulations on the Safety Management of Dangerous Chemicals and the Regulations on the Management of precursor chemicals.^[2]

purpose

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γ - butyrolactone is a common solvent and reaction reagent in chemistry. It is also used as a kind of fragrance, detergent, cyanoacrylate remover, paint remover and solvent for some liquid aluminum electrolytic capacitors.

Storage and transportation method

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Store in a cool and ventilated warehouse. Keep away from kindling and heat sources. It shall be stored separately from oxidants, acids, alkalis and edible chemicals, and mixed storage is strictly prohibited. Equip with corresponding types and quantities of fire-fighting equipment. The storage area shall be equipped with leakage emergency treatment equipment and appropriate materials.