Cas no 2438-12-2 ((±)-α,α,4-trimethylcyclohex-3-ene-1-methanol)

(±)-α,α,4-trimethylcyclohex-3-ene-1-methanol structure
2438-12-2 structure
Product Name:(±)-α,α,4-trimethylcyclohex-3-ene-1-methanol
CAS No:2438-12-2
MF:C10H18O
MW:154.249323368073
CID:1417068
Update Time:2024-08-15

(±)-α,α,4-trimethylcyclohex-3-ene-1-methanol Chemical and Physical Properties

Names and Identifiers

    • (±)-α,α,4-trimethylcyclohex-3-ene-1-methanol
    • (±)-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
    • 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, (±)-
    • Inchi： 1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
    • InChI Key： WUOACPNHFRMFPN-UHFFFAOYSA-N
    • SMILES： CC1CCC(C(O)(C)C)CC=1

Computed Properties

  • Exact Mass: 154.13584
  • Monoisotopic Mass: 154.135765
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 168
  • 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: 20.2

Experimental Properties

  • Density: 0.936
  • Melting Point: 31-34℃
  • Boiling Point: 218-221 deg
  • Flash Point: 90℃
  • Refractive Index: 1.4723 (estimate)
  • PSA: 20.23

(±)-α,α,4-trimethylcyclohex-3-ene-1-methanol Security Information

  • Hazardous Material Identification： Xi
  • Risk Phrases：R38
  • Safety Term：S37

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