ChemicalBook--->CAS DataBase List--->10276-85-4

10276-85-4

10276-85-4 Structure

10276-85-4 Structure
IdentificationBack Directory
[Name]

BENZYL CAPRYLATE
[CAS]

10276-85-4
[Synonyms]

Nsc23754
BENZYL OCTANOATE
BENZYL CAPRYLATE
Caprylic acid benzyl ester
Octanoic acid benzyl ester
Octanoicacid,phenylmethylester
[EINECS(EC#)]

233-620-7
[Molecular Formula]

C15H22O2
[MDL Number]

MFCD00048914
[MOL File]

10276-85-4.mol
[Molecular Weight]

234.33
Chemical PropertiesBack Directory
[Boiling point ]

125-130 °C(Press: 1.5 Torr)
[density ]

0.971±0.06 g/cm3(Predicted)
[refractive index ]

1.49
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Odor]

at 100.00 %. herbal fatty fruity peach pineapple
[Odor Type]

herbal
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

InChI=1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
[InChIKey]

MWQWCHLIPMDVLS-UHFFFAOYSA-N
[SMILES]

C(OCC1=CC=CC=C1)(=O)CCCCCCC
[LogP]

5.055 (est)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

43
[Safety Statements ]

36/37
[HS Code ]

2915.90.1050
Hazard InformationBack Directory
[Chemical Properties]

Benzyl caprylate is useful in fruity flavor compositions, where the higher boiling ester may act as a fixative for more volatile components. This is important for hard candy, baked goods, etc. where the functional product will be exposed to heat in processing. Apricot, Peach, Pineapple, etc. Concentrations may not be more than traces. This material is NOTlisted in the American G. R.A.S. list.
[Chemical Properties]

Colorless liquid, Insoluble in water, soluble in alcohol and oils. Flat, but fruity odor, more peachy than Apricot-like, and with a herbaceous-fatty undertone. Occasionally used in perfumes as a modifier for lower alifatic esters of Benzyl alcohol. In certain floral fragrances, it may be desirable to introduce a fatty-floral note for “petal” effects, and there are cases where Benzyl caprylate can fill such a demand.
[Synthesis Reference(s)]

Synthesis, p. 1017, 1986 DOI: 10.1055/s-1986-31855
[Synthesis]

Benzyl caprylate can be prepared by direct esterification of Benzyl alcohol with Octanoic acid under azeotropic conditions.
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