Cas no 76-50-6 (Bornyl isovalerate)

Bornyl isovalerate structure
Bornyl isovalerate structure
Product Name:Bornyl isovalerate
CAS No:76-50-6
MF:C15H26O2
MW:238.365745067596
CID:34051
PubChem ID:60968
Update Time:2025-04-18

Bornyl isovalerate Chemical and Physical Properties

Names and Identifiers

    • Bornyl isovalerate
    • 2-Bornyl 3-methylbutyrate
    • Isovaleric acid 2-bornyl ester
    • [(1S,4R,6R)-1,7,7-Trimethyl-6-bicyclo[2.2.1]heptanyl] 3-methylbutanoate
    • BORNEOL ISOVALERATE
    • BORNYL ISOPENTANOATE
    • Bornyl-isovalerat
    • Bornyval
    • endo-bornyl isovalerate
    • endo-Bornylisovalerat
    • Hysterol
    • 7779-73-9
    • Butanoic acid, 3-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
    • DTXSID80873577
    • Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
    • Borneol-iso-Valerate = Bornyl iso-Valerate
    • UNII-X58D56297G
    • (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylbutanoate
    • Bornyl 3-methylbutanoate
    • Isovaleric acid, 2-bornyl ester
    • Iso-valerianate de bornyle [French]
    • NSC 68007
    • endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate
    • Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-
    • 2-Bornyl isovalerate
    • Isobornyl isopentanoate
    • SCHEMBL309489
    • 1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate, exo
    • Butanoic acid, 3-methyl-, (1R,2S,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-
    • W-104361
    • Butanoic acid, 3-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-
    • Isobornyl 3-methylbutanoate
    • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate #
    • EINECS 231-935-4
    • AI3-04348
    • FT-0623173
    • MPYYVGIJHREDBO-UHFFFAOYSA-N
    • 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate
    • endo-3-Methylbutanoic acid 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester
    • Isobornyl isovalerianate
    • Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-
    • A839197
    • Isobornyl isovalerate
    • 76-50-6
    • exo - bornyl isovalerate
    • EINECS 200-966-5
    • Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
    • endo - bornyl isovalerate
    • Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo-
    • 3-methylbutanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester
    • 276885-74-6
    • Butanoic acid, 3-methyl-, 4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-
    • (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 3-methylbutanoate
    • (-)-Bornyl isovalerate, >=97%
    • Bornyl isovalerianate
    • NS00012670
    • NS00113993
    • NS00113994
    • 59672-05-8
    • Inchi： 1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3
    • InChI Key： MPYYVGIJHREDBO-UHFFFAOYSA-N
    • SMILES： O(C(CC(C)C)=O)C1CC2CCC1(C)C2(C)C

Computed Properties

  • Exact Mass: 238.19300
  • Monoisotopic Mass: 238.193
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 319
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Color/Form: Colorless light yellow liquid
  • Density: 0.949
  • Boiling Point: 255-260 oC
  • Flash Point: >110 oC
  • Refractive Index: 1.46
  • PSA: 26.30000
  • LogP: 3.79050
  • FEMA: 2165 | BORNYL ISOVALERATE (ENDO-)
  • Specific Rotation: -32.5 o (neat)

Bornyl isovalerate Security Information

  • WGK Germany：2
  • RTECS：EK7902550

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