Cas no 20780-49-8 (1-Octanol,3,7-dimethyl-, 1-acetate)

1-Octanol,3,7-dimethyl-, 1-acetate structure
20780-49-8 structure
Product Name:1-Octanol,3,7-dimethyl-, 1-acetate
CAS No:20780-49-8
MF:C12H24O2
MW:200.317764282227
CID:254888
Update Time:2025-04-19

1-Octanol,3,7-dimethyl-, 1-acetate Chemical and Physical Properties

Names and Identifiers

    • 1-Octanol,3,7-dimethyl-, 1-acetate
    • 3,7-dimethyloctyl acetate
    • TETRAHYDROGERANYL ACETATE
    • 1-OAc-3,7-dimethyloctane
    • 1-OCTANOL,3,7-DIMETHYL-,ACETATE
    • 3,7-Dimethyl-1-octanol,acetate
    • 3,7-Dimethyl-1-octanyl acetate
    • 3,7-Dimethyl-1-octyl acetate
    • 3,7-Dimethyloctanyl acetate
    • 3,7-Dimethyloctanyl-1-acetate
    • dihydrocitronellol acetate
    • Dihydrocitronellyl acetate
    • EINECS 244-034-6
    • Inchi： 1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3
    • InChI Key： XFPXWDJICXBWRU-UHFFFAOYSA-N
    • SMILES： CC(CCCC(CCOC(=O)C)C)C

Computed Properties

  • Exact Mass: 200.17800
  • Monoisotopic Mass: 200.17763
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 152
  • 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: 26.3

Experimental Properties

  • Density: 0.8678 (estimate)
  • Melting Point: -15.03°C (estimate)
  • Boiling Point: 238.06°C (estimate)
  • Flash Point: 91.8°C
  • Refractive Index: 1.4139 (estimate)
  • PSA: 26.30000
  • LogP: 3.40200

1-Octanol,3,7-dimethyl-, 1-acetate Security Information

  • Risk Phrases：R36/38

1-Octanol,3,7-dimethyl-, 1-acetate Related Literature

Related Categories

20780-49-8 (1-Octanol,3,7-dimethyl-, 1-acetate) Related Products

Recommended suppliers
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.