ChemicalBook--->CAS DataBase List--->2306-88-9

2306-88-9

2306-88-9 Structure

2306-88-9 Structure
IdentificationBack Directory
[Name]

FEMA 2811
[CAS]

2306-88-9
[Synonyms]

FEMA 2811
Octyloctanoat
OCTYL OCTANOATE
OCTYL CAPRYLATE
n-Octyloctanoate
n-Octyl caprylate
1-Octanol octanoate
OCTYL OCTANOATE 98+%
octanoicacidoctylester
Octanoicacid,octylester
Caprylic acid octyl ester
Octyl octanoate >=98%, FG
[EINECS(EC#)]

218-980-5
[Molecular Formula]

C16H32O2
[MDL Number]

MFCD00129710
[MOL File]

2306-88-9.mol
[Molecular Weight]

256.42
Chemical PropertiesBack Directory
[Melting point ]

−18 °C(lit.)
[Boiling point ]

307 °C(lit.)
[density ]

0.859 g/mL at 25 °C(lit.)
[vapor pressure ]

0.015Pa at 20℃
[FEMA ]

2811 | OCTYL OCTANOATE
[refractive index ]

n20/D 1.435(lit.)
[Fp ]

>230 °F
[solubility ]

Practically insoluble in water, soluble in alcohol and oils
[Odor]

at 100.00 %. coconut oily fruity
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

177
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

SKIN CONDITIONING - EMOLLIENT
[InChI]

1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
[InChIKey]

DJNTZVRUYMHBTD-UHFFFAOYSA-N
[SMILES]

CCCCCCCCOC(=O)CCCCCCC
[LogP]

7.09
[EPA Substance Registry System]

Octanoic acid, octyl ester (2306-88-9)
Safety DataBack Directory
[WGK Germany ]

-
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Description]

Octyl octanoate has a faint, fatty odor reminiscent of green tea with an oily, fruity, sweet, mildly green taste. May be prepared by esterification of octanoic acid with octyl alcohol in the presence of HCl catalyst; or by passing vapors of octanoic acid and hydrogen over a copper chromium oxide catalyst at high temperature (320°C).
[Chemical Properties]

Octyl octanate has a faint, fatty odor reminiscent of green tea and an oily, fruity, sweet, mildly green taste.
[Uses]

FEMA 2811 finds limited use in flavor compositions, mainly in Citrus complexes, Cherry, Grape, Pineapple, Plum and other fruit imitation flavors. The concentration is normally about 0.5 to 2 ppm in the finished product.
[Definition]

ChEBI: Octyl octanoate is a carboxylic ester.
[Preparation]

By esterification of octanoic acid with octyl alcohol in the presence of HCl catalyst; or by passing vapors of octanoic acid and hydrogen over a copper chromium oxide catalyst at high temperature (320°C).
[Synthesis Reference(s)]

Tetrahedron Letters, 25, p. 4417, 1984 DOI: 10.1016/S0040-4039(01)81454-4
[Flammability and Explosibility]

Nonflammable
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