ChemicalBook--->CAS DataBase List--->6938-45-0

6938-45-0

6938-45-0 Structure

6938-45-0 Structure
IdentificationBack Directory
[Name]

BENZYL HEXANOATE
[CAS]

6938-45-0
[Synonyms]

FEMA 4026
NSC 53964
Benzyl caproate
BENZYL HEXANOATE
Benzyl n-hexanoate
Phenylmethyl hexanoate
Hexanoic acid benzyl ester
Hexanoic acid, phenylmethyl ester
[EINECS(EC#)]

230-068-9
[Molecular Formula]

C13H18O2
[MDL Number]

MFCD00672787
[MOL File]

6938-45-0.mol
[Molecular Weight]

206.28
Chemical PropertiesBack Directory
[Boiling point ]

278℃
[density ]

0.990
[FEMA ]

4026 | BENZYL HEXANOATE
[Fp ]

105.3℃
[solubility ]

Insoluble in water, soluble in alcohol and oils.
[Odor]

at 100.00 %. green apricot fruity gardenia jasmin
[Odor Type]

green
[JECFA Number]

2061
[Major Application]

flavors and fragrances
[InChI]

1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3
[InChIKey]

HRSXWUSONDBHSP-UHFFFAOYSA-N
[SMILES]

O(Cc1ccccc1)C(=O)CCCCC
[LogP]

4.05
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

Benzyl hexanoate has a sweet, mild fruity, slightly green odor, reminiscent of apricot, but with a distinctly floral note. It is used in imitation pineapple and apricot flavors.
[Occurrence]

Reportedly present in passion fruit and juice (Passiflora edulis L.).
[Uses]

Benzyl hexanoate is by direct esterification of Benzyl alcohol with Hexanoic acid under azeotropic conditions.
[Uses]

Benzyl hexanoate is occasionally used in perfumes for modifying effect in Jasmin, Gardenia, Tuberose, Lily, etc. usually in combination with lower alifatic esters of Benzyl alcohol. Used in flavor compositions, mainly as a modifier, in imitation Pineapple, Apricot, etc. and in Tutti-frutti flavor.
[Preparation]

Prepared by reaction of benzyl alcohol with hexanoic acid in the presence of catalyst, methansulfonic acid.
[Aroma threshold values]

Aroma characteristics at around 1.0%: sweet, chemical fruity and slightly lactonic, pineapple and slightly tropical.
[Taste threshold values]

Taste characteristics at around 5.0 ppm: sweet, tropical, ripe fruity pineapple with a candy nuance.
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