Cas no 2768-18-5 (5,5-dimethylhexan-1-ol)

5,5-dimethylhexan-1-ol structure
5,5-dimethylhexan-1-ol structure
Product Name:5,5-dimethylhexan-1-ol
CAS No:2768-18-5
MF:C8H18O
MW:130.227922916412
MDL:MFCD02258573
CID:267583
PubChem ID:262849
Update Time:2025-04-19

5,5-dimethylhexan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 1-Hexanol,5,5-dimethyl-
    • 5,5-dimethylhexan-1-ol
    • 1-Hexanol,2,2-dimethyl
    • 1-Hexanol,5-dimethyl
    • 5,5-DIMETHYL-1-HEXANOL
    • 5,5-dimethyl-hexan-1-ol
    • 5.5-dimethyl-hexyl alcohol
    • 5.5-Dimethyl-hexylalkohol
    • neooctyl alcohol
    • AKOS011895410
    • SCHEMBL498051
    • CAA76818
    • NSC96815
    • 5, 5-dimethylhexan-1-ol
    • 2768-18-5
    • EN300-842400
    • 1-Hexanol,5-dimethyl-
    • 5,5-dimethylhexanol
    • NSC-96815
    • DTXSID60294488
    • QYFVEEMPFRRFNN-UHFFFAOYSA-N
    • MDL: MFCD02258573
    • Inchi: 1S/C8H18O/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3
    • InChI Key: QYFVEEMPFRRFNN-UHFFFAOYSA-N
    • SMILES: OCCCCC(C)(C)C

Computed Properties

  • Exact Mass: 130.13600
  • Monoisotopic Mass: 130.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 61.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 0.8414 (estimate)
  • Melting Point: -61.15°C (estimate)
  • Boiling Point: 170.96°C (estimate)
  • Flash Point: 60.6°C
  • Refractive Index: 1.4038 (estimate)
  • PSA: 20.23000
  • LogP: 2.19510

5,5-dimethylhexan-1-ol Customs Data

  • HS CODE:2905199090
  • Customs Data:

    China Customs Code:

    2905199090

    Overview:

    2905199090. Other saturated monohydric alcohols. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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