Cas no 993-53-3 (3,4,4-Trimethyl-1-pentyn-3-ol)

3,4,4-Trimethyl-1-pentyn-3-ol structure
3,4,4-Trimethyl-1-pentyn-3-ol structure
Product Name:3,4,4-Trimethyl-1-pentyn-3-ol
CAS No:993-53-3
MF:C8H14O
MW:126.196162700653
CID:83277
PubChem ID:136777
Update Time:2025-04-18

3,4,4-Trimethyl-1-pentyn-3-ol Chemical and Physical Properties

Names and Identifiers

    • 3,4,4-Trimethyl-1-pentyn-3-ol
    • 3,4,4-trimethylpent-1-yn-3-ol
    • 2,2,3-trimethyl-4-pentyn-3-ol
    • 3,4,4-trimethyl-pent-1-yn-3-ol
    • Methyl-tert.-butyl-aethinyl-carbinol
    • pent-1-ynol-3 3,4,4-trimethyl
    • AKOS006228989
    • MFCD00041602
    • 1-Pentyn-3-ol,3,4,4-trimethyl-
    • 993-53-3
    • NSC 47968
    • 3,4,4,-Trimethyl-1-pentyn-3-ol
    • SCHEMBL236304
    • NSC-47968
    • FT-0601837
    • NSC47968
    • MDL: MFCD00041602
    • Inchi: 1S/C8H14O/c1-6-8(5,9)7(2,3)4/h1,9H,2-5H3
    • InChI Key: XXWIEGOAVMLISY-UHFFFAOYSA-N
    • SMILES: OC(C#C)(C)C(C)(C)C
    • BRN: 1742361

Computed Properties

  • Exact Mass: 126.10400
  • Monoisotopic Mass: 126.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 144
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.6

Experimental Properties

  • Color/Form: Not determined
  • Density: 0,868 g/cm3
  • Melting Point: Not available
  • Boiling Point: 142-144°C
  • Flash Point: 39°C
  • Refractive Index: 1.4420
  • PSA: 20.23000
  • LogP: 1.41670
  • Solubility: Not determined
  • Vapor Pressure: 3.0±0.5 mmHg at 25°C

3,4,4-Trimethyl-1-pentyn-3-ol Security Information

  • Signal Word:warning
  • Hazard Statement: H303+H313+H333
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number:UN 1987
  • Safety Instruction: S23-S24/25
  • HazardClass:3
  • PackingGroup:III
  • Packing Group:III
  • Risk Phrases:R10
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

3,4,4-Trimethyl-1-pentyn-3-ol Pricemore >>

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