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Pentaerythritol

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Organic compound
Pentaerythritol is an organic compound with chemical formula C five H twelve O four It belongs to polyol organic matter, white crystalline powder, combustible, easy to be esterified by ordinary organic compounds, and is widely used in the paint industry to produce alkyd resin, synthesize advanced lubricants, plasticizers, surfactants, medicines, explosives, etc.
Listed in the List of Explosive Hazardous Chemicals [2] It shall be controlled in accordance with the Public Security Management Measures for Explosive Hazardous Chemicals [3]
Chinese name
Pentaerythritol
Foreign name
pentaerythritol
Alias
2,2-Dihydroxymethyl-1,3-propanediol Tetrahydroxymethyl methane
chemical formula
C five H twelve O four
molecular weight
one hundred and thirty-six point one four six
CAS login number
115-77-5
EINECS login number
204-104-9
Melting point
257 ℃
Boiling point
380.4 ℃
Water solubility
soluble
Density
1.396 g/cm³
Appearance
White crystalline powder
Flash point
200.1 ℃
Application
Production of alkyd resin; Synthetic senior lubricants, plasticizers, surfactants, etc
Security description
S24/25
Hazard description
R33
RTECS No
RZ2490000
BRN No
one million six hundred and seventy-nine thousand two hundred and seventy-four
MDL No
MFCD00004692
PubChem No
twenty-four million eight hundred and ninety-eight thousand four hundred and ninety-six

Physical and chemical properties

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Density: 1.396g/cm three
Melting point: 257 ℃
Boiling point: 380.4 ℃
Flash point: 200.1 ℃
Refractive index: 1.548
Appearance: white crystalline powder
Solubility: soluble in water, slightly soluble in ethanol, insoluble in benzene, carbon tetrachloride, ether, petroleum ether, etc

toxicology data

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Toxicity grade: Poisoning [1]
Acute toxicity: oral - rat LD fifty : 12600 mg/kg; Oral - Mouse LD fifty : 4097 mg/kg.
Irritation data: skin rabbit: 500mg/24h, mild; Eye rabbit: 126mg/24h, mild.
Large doses of dust can cause diarrhea by mouth, without skin irritation or inflammation. Dust is also harmless to human body.

Molecular structure data

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Molar refractive index: 37.51
Molar volume (cm three /mol):139.1
Isotonic specific volume (90.2K): 339.2
Surface tension (dyne/cm): 35.3
Polarization (10 -24 cm three ):14.87 [1]

Calculate chemical data

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Reference value for drainage parameter calculation (XlogP): - 2.4
Number of hydrogen bond donors: 4
Number of hydrogen bond receptors: 4
Number of rotatable chemical bonds: 4
Number of tautomers: 0
Topological molecular polar surface area: 80.9
Number of heavy atoms: 9
Surface charge: 0
Complexity: 51.8
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 [1]

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, etc., and shall not be mixed. Equip with corresponding types and quantities of fire-fighting equipment. The storage area shall be equipped with appropriate materials to contain leakage. The plastic bag is wrapped with polypropylene woven bag or gunny bag. The concentration of pentaerythritol dust in the air reaches 30g/m three When the temperature is above 400 ℃, it can form explosive mixture with air and explode when the temperature exceeds 400 ℃. Therefore, it should be stored in a cool, dry and ventilated place, moisture-proof and fireproof. Store and transport according to general chemical regulations. [1]

Main purpose

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Pentaerythritol is mainly used in the coating industry to make alkyd resin coatings, which can improve the hardness, gloss and durability of the coating film. It can also be used as raw material of rosin resin for paints, varnishes and printing inks, and can be used to make dry oil, smoldering paint and aviation lubricating oil. In addition, it is also used in the production of medicine and pesticide. Pentaerythritol molecule contains four equivalent hydroxymethyl groups, which has a high degree of symmetry. Therefore, it is often used as a raw material for the preparation of multifunctional compounds. Pentaerythritol tetranitrate, a kind of high explosive, can be prepared by nitration of pentaerythritol tetranitrate; Pentaerythritol triacrylate can be obtained by esterification and used as paint. It can also be used as flame retardant of adhesive, and can be used in combination with ammonium polyphosphate to obtain intumescent flame retardant. It is also used as a crosslinking agent for polyurethane to provide branched chains in polyurethane. [1]