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2,2-bis(hydroxymethyl)propane-1,3-diol | 115-77-5

Product name:2,2-bis(hydroxymethyl)propane-1,3-diol

CAS No:115-77-5
MF:C5H12O4
MW:136.1464
MDL:MFCD00004692
CID:35809
PubChem ID:8285
Introduction

Pentaerythritol, molecular formula C5H12O4, white crystal or powder, flammable, easy to be esterified by general organic esters, is widely used in the paint industry to produce alkyd resin \ synthetic high-grade lubricant \ plasticizer \ surfactant, medicine \ explosives and other raw materialsThe

Names and Identifiers
  • Pentaerythritol
  • 2,2-bis(hydroxymethyl)-1,3-Propanediol
  • Hercules P 6
  • Monopentaerythritol
  • PE 200
  • Pentaertyhritol
  • PETP
  • Tetrakis(hydroxymethyl)methane
  • Tetramethylolmethane
  • THME
  • 2,2-Bis(hydroxymethyl)propane-1,3-diol
  • RCS-4
  • 2,2-Bis-hydroxyMethyl-1,3-propanediol
  • MetabAuxil
  • Penetek
  • Pentek
  • PE-T
  • PE-M
  • PE-C-N
  • Maxinutril
  • pe200
  • Pentaerythrotol
  • Monopentek
  • Pentaerythrite
  • Auxinutril
  • Metab-Auxil
  • Hercules P6
  • Tetrahydroxymethylmethane
  • Methane tetramethylol
  • 1,3-Propanediol, 2,2-bis(hydroxymethyl)-
  • Pentaerythritol, 98%
  • 1,1,1-Tris(hydroxymethyl)ethanol
  • A
  • 2,2-Bis(hydroxymethyl)-1,3-propanediol
  • 2,2-bis(hydroxymethyl)propane-1,3-diol
  • MDL:MFCD00004692
  • InChIKey:WXZMFSXDPGVJKK-UHFFFAOYSA-N
  • Inchi:1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
  • SMILES:O([H])C([H])([H])C(C([H])([H])O[H])(C([H])([H])O[H])C([H])([H])O[H]
  • BRN:1679274
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 136.07400
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 4
  • Heavy Atom Count: 9
  • Complexity: 51.8
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: -2.4
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 80.9

Experimental Properties

  • LogP: -2.05800
  • PSA: 80.92000
  • Merck: 14,7111
  • Refractive Index: 1.548
  • Water Partition Coefficient: 1 g/18 mL (15 ºC)
  • Boiling Point: 276 °C/30 mmHg(lit.)
  • Melting Point: 253-258 °C (lit.)
  • Vapor Pressure: <1 mmHg ( 20 °C)
  • Flash Point: Fahrenheit: >302 ° f
    Celsius: >150 ° c
  • Solubility: H2O: 0.1 g/mL, clear, colorless
  • Color/Form: White powdery crystal, flammable, easy to be esterified by general organic esters, and no reaction with dilute caustic soda solution
  • PH: 3.5-4.5 (100g/l, H2O, 35℃)
  • Stability/Shelf Life: Stable. Incompatible with strong acids, strong oxidizing agents, acid chlorides, acid anhydrides. Combustible.
  • Solubility: Soluble in water, slightly soluble in ethanol, insoluble in benzene \ carbon tetrachloride \ ether \ petroleum ether, etc
  • Sensitiveness: Hygroscopic
  • Density: 1.396
Security Information
  • RTECS:RZ2490000
  • WGK Germany:1
  • Safety Term:S24/25
  • Safety Instruction:S24/25
  • Risk Phrases:R33
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Category Code:R33: risk of cumulative effect.
  • TSCA:Yes
Customs Data
  • HS CODE:29054200
  • Customs Data:

    China Customs Code:

    2905420000

    Overview:

    HS:2905420000 Pentaerythritol VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing Minimum tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    HS:2905420000 2,2-bis(hydroxymethyl)propane-1,3-diol VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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