Linalyl acetate

Linalyl acetate[1]
linalyl acetate 2D skeletal
linalyl acetate 3D BS
Names
IUPAC name
3,7-Dimethylocta-1,6-dien-3-yl acetate
Other names
Bergamiol
Bergamol
Linalool acetate
Identifiers
CAS Number
  • 115-95-7 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:6469 ☒N
ChEMBL
  • ChEMBL502773 checkY
ChemSpider
  • 13850082 checkY
ECHA InfoCard 100.003.743 Edit this at Wikidata
PubChem CID
  • 8294
UNII
  • 5K47SSQ51G checkY
CompTox Dashboard (EPA)
  • DTXSID7026946 Edit this at Wikidata
InChI
  • InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 checkY
    Key: UWKAYLJWKGQEPM-UHFFFAOYSA-N checkY
  • InChI=1/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
    Key: UWKAYLJWKGQEPM-UHFFFAOYAM
  • C\C(C)=C\CCC(C)(C=C)OC(=O)C
Properties
Chemical formula
 C12H20O2
Molar mass 196.290 g·mol−1
Appearance Colorless liquid
Density 0.895 g/cm3
Boiling point 220 °C (428 °F; 493 K)
Solubility in water
 Insoluble
Solubility in organic solvents Soluble
Hazards
Flash point 69.6 °C (157.3 °F; 342.8 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references
Chemical compound

Linalyl acetate is an organic compound, the acetate ester of linalool and a phytochemical found in many flowers and spice plants. It is one of the principal components of the essential oils of bergamot and lavender.[1] It often occurs together with linalool and is a widely used fragrance. [2]


The chemical tastes similar to how it smells with a pleasant fruity odor reminiscent of bergamot mint oil. It is found in Eau de Cologne mint and is mildly toxic to humans, toxic to fish, and extremely toxic to daphnia. Linalyl acetate is also combustible.

Safety

Linalyl acetate is found safe as a fragrance material under current levels of use.[3]

See also

References

  1. ^ a b The Merck Index, 15th Ed. (2013), p. 1022, Monograph 5551, O'Neil: The Royal Society of Chemistry. Available online at: http://www.rsc.org/Merck-Index/monograph/mono1500005551
  2. ^ Sell, Charles S. (2006). "Terpenoids". Kirk-Othmer Encyclopedia of Chemical Technology. doi:10.1002/0471238961.2005181602120504.a01.pub2. ISBN 0471238961.
  3. ^ "RIFM fragrance ingredient safety assessment, Linalyl acetate, CAS Registry Number 115-95-7" (PDF). Food and Chemical Toxicology. 82: S39–S48. 2015.