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  2. 6920-22-5
1,2-Hexanediol | 6920-22-5

Product name:1,2-Hexanediol

CAS No:6920-22-5
MF:C6H14O2
MW:118.1742
MDL:MFCD00010737
CID:47072
PubChem ID:94335
Names and Identifiers
  • DL-1,2-Hexanediol
  • DL-hexane-1,2-diol
  • 1,2-Hexanediol
  • 1,2-Dihydroxyhexane
  • 2-Hexanediol
  • DL-1.2-Hexanediol
  • (2R)-1,2-Hexanediol
  • 1,2-hexandiol
  • 1,2-HEXYLENE GLYCOL
  • 5,6-Dihydroxyhexane
  • DL-Hexan-1,2-diol
  • HDO
  • hexane-1,2-diol
  • n-hexane-1,2-diol
  • FHKSXSQHXQEMOK-UHFFFAOYSA-N
  • 1,2-hexane diol
  • TRA0022879
  • RL04645
  • AK161793
  • SY049796
  • 2,2,6,6-Tetrakis(hydroxymEt)cyclohexanol
  • FT
  • 1,2-Hexylene Glycol
  • DL-Hexane-1,2-diol
  • MDL:MFCD00010737
  • InChIKey:FHKSXSQHXQEMOK-UHFFFAOYSA-N
  • Inchi:1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3
  • SMILES:O([H])C([H])(C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
  • BRN:1719244
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 118.09900
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Rotatable Bond Count: 4
  • Monoisotopic Mass: 118.099
  • Heavy Atom Count: 8
  • Complexity: 45.8
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 0.7
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • LogP: 0.52980
  • PSA: 40.46000
  • Refractive Index: n20/D 1.442(lit.)
  • Water Partition Coefficient: Miscible with water, lower aliphatic hydrocarbons and fatty acids.
  • Boiling Point: 223-224 °C(lit.)
  • Melting Point: 45°C
  • Flash Point: Fahrenheit: 251.6 ° f < br / > Celsius: 122 ° C < br / >
  • Color/Form: Not available
  • Solubility: Not available
  • Sensitiveness: Hygroscopic
  • Density: 0.951 g/mL at 25 °C(lit.)
Security Information
  • Symbol: GHS07
  • WGK Germany:2
  • Safety Instruction:S26-S36-S37/39
  • Risk Phrases:R36/37/38
  • Tanda barang berbahaya: Xi Xi
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Statement:H315,H319,H335
  • Warning Statement:P261,P305+P351+P338
  • Storage Condition:Store in a cool, dry, well ventilated area away from incompatible substances. Avoid moisture.
  • Hazard Category Code:36/37/38
  • Signal Word:Warning
  • TSCA:Yes
  • FLUKA BRAND F CODES:3
Customs Data
  • HS CODE:2905399090
  • Customs Data:

    China Customs Code:

    2905399090

    Overview:

    2905399090 Other diols.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2905399090 other diols.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

Synthetic Circuit

Synthetic Circuit 1

Reaction Conditions
1.1 Catalysts: Nickel ;  26 h, 11.4 MPa, 190 °C; 8 MPa
1.2 Reagents: Water ;  cooled
Reference
Optimisation of the processing conditions of hydrolytic hydrogenation of cellulose using carbon nanofiber supported Ni catalysts
Frecha, E.; Remon, J.; Torres, D.; Suelves, I.; Pinilla, J. L., Catalysis Today, 2023, 423,
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