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Linalyl acetate

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]

Linalyl acetate[1]
Names
IUPAC name
3,7-Dimethylocta-1,6-dien-3-yl acetate
Other names
Bergamiol
Bergamol
Linalool acetate
Identifiers
  • 115-95-7 Y
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:6469 N
ChEMBL
  • ChEMBL502773 Y
ChemSpider
  • 13850082 Y
ECHA InfoCard 100.003.743
  • 8294
UNII
  • 5K47SSQ51G Y
  • DTXSID7026946
  • InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 Y
    Key: UWKAYLJWKGQEPM-UHFFFAOYSA-N Y
  • 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
C12H20O2
Molar mass 196.290 g·mol−1
Appearance Colorless liquid
Density 0.895 g/cm3
Boiling point 220 °C (428 °F; 493 K)
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).
N verify (what is YN ?)


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 edit

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

See also edit

References edit

  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.

linalyl, acetate, organic, compound, acetate, ester, linalool, phytochemical, found, many, flowers, spice, plants, principal, components, essential, oils, bergamot, lavender, often, occurs, together, with, linalool, widely, used, fragrance, names, iupac, name,. 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 Linalyl acetate 1 Names IUPAC name 3 7 Dimethylocta 1 6 dien 3 yl acetate Other names BergamiolBergamolLinalool acetate Identifiers CAS Number 115 95 7 Y 3D model JSmol Interactive image ChEBI CHEBI 6469 N ChEMBL ChEMBL502773 Y ChemSpider 13850082 Y ECHA InfoCard 100 003 743 PubChem CID 8294 UNII 5K47SSQ51G Y CompTox Dashboard EPA DTXSID7026946 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 YKey UWKAYLJWKGQEPM UHFFFAOYSA N YInChI 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 C 12H 20O 2 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 N verify what is Y N Infobox references 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 editLinalyl acetate is found safe as a fragrance material under current levels of use 3 See also editBergamot essential oilReferences edit 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 Sell Charles S 2006 Terpenoids Kirk Othmer Encyclopedia of Chemical Technology doi 10 1002 0471238961 2005181602120504 a01 pub2 ISBN 0471238961 RIFM fragrance ingredient safety assessment Linalyl acetate CAS Registry Number 115 95 7 PDF Food and Chemical Toxicology 82 S39 S48 2015 Retrieved from https en wikipedia org w index php title Linalyl acetate amp oldid 1172226131, wikipedia, wiki, book, books, library,

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