Misplaced Pages

Linalyl acetate

Article snapshot taken from[REDACTED] with creative commons attribution-sharealike license. Give it a read and then ask your questions in the chat. We can research this topic together.
Linalyl acetate
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
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.003.743 Edit this at Wikidata
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3Key: UWKAYLJWKGQEPM-UHFFFAOYSA-N
  • InChI=1/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3Key: UWKAYLJWKGQEPM-UHFFFAOYAM
SMILES
  • C\C(C)=C\CCC(C)(C=C)OC(=O)C
Properties
Chemical formula C12H20O2
Molar mass 196.290 g·mol
Appearance Colorless liquid
Density 0.895 g/cm
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 , 100 kPa). ☒verify (what is  ?) 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. It often occurs together with linalool and is a widely used fragrance.


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.

See also

References

  1. ^ 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.
Categories: