Cas no 87777-46-6 (1-Heptyn-3-ol,4-methyl-)

1-Heptyn-3-ol,4-methyl- structure
1-Heptyn-3-ol,4-methyl- structure
Product Name:1-Heptyn-3-ol,4-methyl-
CAS No:87777-46-6
MF:C8H14O
MW:126.196162700653
MDL:MFCD00041639
CID:708939
PubChem ID:329760305
Update Time:2024-10-26

1-Heptyn-3-ol,4-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1-Heptyn-3-ol,4-methyl-
    • 4-Methyl-1-heptyn-3-ol
    • 4-methylhept-1-yn-3-ol
    • 1-Heptyn-3-ol,4-methyl
    • 4-Methyl-1-heptyn-3-ol (ACI)
    • AS-58051
    • MFCD00041639
    • 87777-46-6
    • SCHEMBL1057396
    • 4-methyl-hept-1-yn-3-ol
    • CS-0366600
    • 4-Methyl-1-heptyn-3-ol, 97%
    • AKOS009159335
    • DTXSID10607206
    • MDL： MFCD00041639
    • Inchi： 1S/C8H14O/c1-4-6-7(3)8(9)5-2/h2,7-9H,4,6H2,1,3H3
    • InChI Key： WONUPNLSAKXVSN-UHFFFAOYSA-N
    • SMILES： C#CC(C(CCC)C)O

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: 3
  • Complexity: 109
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2A^2
  • XLogP3: 1.9

Experimental Properties

  • Density: 0.865?g/mL?at 25?°C
  • Melting Point: Not available
  • Boiling Point: 168.7±8.0 °C at 760 mmHg
  • Flash Point: Fahrenheit: 149 ° f
    Celsius: 65 ° c
  • Refractive Index: 1.45
  • PSA: 20.23000
  • LogP: 1.41670
  • Vapor Pressure: 0.5±0.7 mmHg at 25°C

1-Heptyn-3-ol,4-methyl- Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S23-S24/25
  • Hazardous Material Identification： Xi
  • Storage Condition：2-8°C

1-Heptyn-3-ol,4-methyl- Pricemore >>

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1-Heptyn-3-ol,4-methyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Dimethyl sulfoxide ,  Water ;  10 min, rt; 8 h, 60 °C
Reference
Synthesis of acetylenic alcohols with calcium carbide as the acetylene source
Sum, Yin Ngai; et al, Green Chemistry, 2013, 15(10), 2718-2721

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