Compound: BENZYL ACETATE
SMILES: O=C(OCc1ccccc1)C
InChIKey: QUKGYYKBILRGFE-UHFFFAOYSA-N
Synonyms: BENZYL ACETATE, 140-11-4, Acetic acid benzyl ester, Phenylmethyl acetate, Acetic acid, phenylmethyl ester, Benzyl ethanoate, Acetic acid, benzyl ester, Phenylmethyl ethanoate, alpha-Acetoxytoluene, (Acetoxymethyl)benzene, NCI-C06508, Benzylester kyseliny octove, FEMA No. 2135, DTXSID0020151, 0ECG3V79ZJ, NSC-4550, DTXCID40151, CHEBI:52051, RefChem:5593, 205-399-7, Plastolin I, NSC 4550, .alpha.-Acetoxytoluene, MFCD00008712, Benzyl ester of acetic acid, Benzyl-23456-d5 Acetate, Acetic acid phenylmethyl ester, Caswell No. 081EA, Benzyl acetate (natural), CAS-140-11-4, CCRIS 1423, HSDB 2851, Acetic acid-benzyl ester, Benzylester kyseliny octove [Czech], ACETATO DE BENCILO, EINECS 205-399-7, UNII-0ECG3V79ZJ, AI3-01996, FEMA 2135, J0Z, nchem.167-comp5, Benzyl acetate (Standard), Benzyl acetate, >=99%, EC 205-399-7, BENZYL ACETATE [MI], WLN: 1VO1R, SCHEMBL22400, SCHEMBL43745, SCHEMBL87638, BENZYL ACETATE [FCC], BENZYL ACETATE [FHFI], BENZYL ACETATE [HSDB], BENZYL ACETATE [IARC], SCHEMBL165096, BENZYL ACETATE [VANDF], orb1301648, orb3025868, SCHEMBL3878195, SCHEMBL7666584, SCHEMBL7937064, SCHEMBL9317323, CHEMBL1233714, SCHEMBL29519011, HY-N7124R, MSK7909, NSC4550, Benzyl acetate, analytical standard, HY-N7124, Benzyl acetate + glycine combination, Tox21_201826, Tox21_302841, EBC-47332, s5576, SBB058375, STL283809, Benzyl acetate, >=99%, FCC, FG, AKOS015841099, CCG-266204, CS-W018145, FB34683, NCGC00090779-01, NCGC00090779-02, NCGC00090779-03, NCGC00256379-01, NCGC00259375-01, LS-13613, A0022, Benzyl acetate, natural, >=99%, FCC, FG, E1501, NS00002107, ST50824209, Benzyl acetate, Selectophore(TM), >=99.5%, G75933, EN300-1267317, F494124, Q424223, Z19628364, Benzyl acetate, primary pharmaceutical reference standard, InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H
Theoretical properties:
molecular_formula: C9H10O2
molecular_weight: 150.17 g/mol
exact_mass: 150.068079557 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 11
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: WATER-WHITE LIQUID
color: WATER-WHITE LIQUID
odor: PEAR-LIKE ODOR
boiling_point: 419.9 °F at 760 mmHg (NTP, 1992)
melting_point: -60.7 °F (NTP, 1992)
density: 1.04 (USCG, 1999) - Denser than water; will sink
solubility: less than 1 mg/mL at 73 °F (NTP, 1992)
flash_point: 195 °F (NFPA, 2010)
vapor_pressure: 1 mmHg at 113 °F ; 10 mmHg at 189.7 °F (NTP, 1992)
Descriptions:
pubchem: Benzyl acetate is the acetate ester of benzyl alcohol. It has a role as a metabolite. It is an acetate ester and a benzyl ester.
chebi: The acetate ester of benzyl alcohol.
chembl: E1501 is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Benzyl acetate is an organic ester with the molecular formula CH3C(O)OCH2C6H5. It is formed by the condensation of benzyl alcohol and acetic acid.
Similar to most other esters, it possesses a sweet and pleasant aroma, owing to which, it finds applications in personal hygiene and health care products. It is a constituent of jasmin and of the essential oils of ylang-ylang and neroli. It has pleasant sweet aroma reminiscent of jasmine (sweet, floral, fruity, jasmin, fresh). Further as a flavoring agent it is also used to impart jasmine or apple flavors to various cosmetics and personal care products like lotions, hair creams etc..

It is one of many compounds that is attractive to males of various species of orchid bees. It is collected and used by the bees as an intra-specific pheromone; In apiculture benzyl acetate is used as a bait to collect bees. Natural sources of benzyl acetate include varieties of flowers like jasmine (Jasminum), and fruits like pear, apple, etc.