Compound: LINALYL ACETATE
SMILES: O=C(OC(C=C)(CCC=C(C)C)C)C
InChIKey: UWKAYLJWKGQEPM-UHFFFAOYSA-N
Synonyms: LINALYL ACETATE, 115-95-7, Linalool acetate, Bergamiol, Bergamol, 3,7-dimethylocta-1,6-dien-3-yl acetate, Lynalyl acetate, Linalol acetate, Licareol acetate, Acetic acid linalool ester, 3,7-Dimethyl-1,6-octadien-3-ol acetate, 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate, 3,7-Dimethyl-1,6-octadien-3-yl acetate, 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate, FEMA No. 2636, DTXSID7026946, 5K47SSQ51G, 3,7-Dimethyl-1,6-ctadien-3-ol acetate, NSC-2138, (1)-1,5-Dimethyl-1-vinylhex-4-enyl acetate, DTXCID006946, CHEBI:78333, CHEBI:6469, Ex bois de rose, RefChem:42171, 1,5-Dimethyl-1-vinylhex-4-enyl acetate, 204-116-4, 254-806-4, Ex bois de rose (synthetic), Phanteine, Dehydrolinalool, acetate, Acetic acid-linalyl ester, NSC 2138, MFCD00008907, 1,5-Dimethyl-1-vinyl-4-hexenyl acetate, (1,5-dimethyl-1-vinyl-hex-4-enyl) acetate, Linalyl acetate (natural), Aetic Acid Linalool Ester, CAS-115-95-7, HSDB 644, LINALYL ACETATE SYNTHETIC, (+)-1,5-Dimethyl-1-vinylhex-4-enyl acetate, EINECS 204-116-4, EINECS 254-806-4, UNII-5K47SSQ51G, Linalolacetate, linalye acetate, linaloyl acetate, AI3-00941, (-)-S-Linalyl acetate, (+/-)-linalyl acetate, EC 204-116-4, Linalyl acetate (Standard), 3,6-octadien-3-ol acetate, 3,6-octadien-3-yl acetate, SCHEMBL58028, (.+/-.)-Linalyl acetate, LINALYL ACETATE [MI], Linalyl acetate Ex Petitgrain, LINALOOL ACETATE, DL-, LINALYL ACETATE [FCC], Linalyl acetate Synthetic FCC, 1, 3,7-dimethyl-, acetate, LINALYL ACETATE [FHFI], LINALYL ACETATE [HSDB], CHEMBL502773, orb1299375, orb3140833, WLN: 1Y&U3Y1U1OV1, FEMA 2636, HY-N6948R, LINALYL ACETATE [USP-RS], NSC2138, HMS5087D09, Linalyl acetate, natural, >=80%, HY-N6948, LINALYL ACETATE, (+/-)-, Linalyl acetate, analytical standard, Tox21_201306, Tox21_303134, LINALOYL ACETATE, (+/-)-, MSK014053, AKOS015901735, Linalyl acetate, >=97%, FCC, FG, CS-W010587, EBC-152221, MSK014053-100A, 3,7-dimethyl-1,6octadien-3-yl acetate, NCGC00164001-01, NCGC00164001-02, NCGC00257047-01, NCGC00258858-01, 1,6-octadiene-ol-,3,7-dimethyl acetate, AC-20000, BS-49383, FL156882, 1,5-dimethyl-1-vinylhex-4-en-1-yl acetate, L0049, NS00010320, 3,7-Dimethyl-acetate(3R)-1,6-Octadien-3-ol, E80781, 1,6-Octadien-3-ol, 3, 7-dimethyl-, acetate, 3,7-Dimethyl-1,6-octadien-3-yl acetate, 97%, EN300-7444436, 3,7-Dimethyl-3-acetate(3R)-1,6-Octadien-3-ol, F240912, Q188314, Linalyl acetate Solution in Acetonitrile, 100ug/mL, Z1255415454, Acetic acid-linalyl ester 1000 microg/mL in Acetonitrile
Theoretical properties:
molecular_formula: C12H20O2
molecular_weight: 196.29 g/mol
exact_mass: 196.146329876 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 6
heavy_atom_count: 14
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Clear, colorless, oily liquid
color: Clear, colorless, oily liquid
odor: ...floral-fruity odor, reminiscent of bergamot and it also has some pear character
boiling_point: 221 °C
melting_point: < 25 °C
density: 0.895 g/cu cm at 20 °C
solubility: Insoluble in water
flash_point: 94 °C (201 °F) - closed cup
vapor_pressure: 0.11 [mmHg]
Descriptions:
pubchem: 3,7-dimethylocta-1,6-dien-3-yl acetate is a monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender. It is a monoterpenoid and an acetate ester. It is functionally related to a linalool.
chebi: A monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender.
chembl: LINALYL ACETATE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 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, lavender and lemon. 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.
The racemic form of linalyl acetate has an aroma described as "sweet, green, citrus, bergamot, lavender, woody, floral, spicy, clean, terpenic".