ChemicalBook--->CAS DataBase List--->1117-55-1

1117-55-1

1117-55-1 Structure

1117-55-1 Structure
IdentificationBack Directory
[Name]

FEMA 2575
[CAS]

1117-55-1
[Synonyms]

FEMA 2575
HEXYL OCTANOATE
HEXYL CAPRYLATE
Hexyl OCLanoate
N-HEXYL CAPRYLATE
FEMA 2575 USP/EP/BP
HEXYL OCTANOATE 97+%
octanoicacidhexylester
Octanoicacid,hexylester
Hexyl octanoate(kosher)
HEXYL CAPRYLATE, NATURAL
Caprylic acid hexyl ester
[EINECS(EC#)]

214-247-9
[Molecular Formula]

C14H28O2
[MDL Number]

MFCD00048920
[MOL File]

1117-55-1.mol
[Molecular Weight]

228.37
Chemical PropertiesBack Directory
[Melting point ]

-30.6°C
[Boiling point ]

307 °C(lit.)
[density ]

0.86 g/mL at 25 °C(lit.)
[FEMA ]

2575 | HEXYL OCTANOATE
[refractive index ]

n20/D 1.431(lit.)
[Fp ]

>230 °F
[solubility ]

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

at 100.00 %. fruity green waxy berry apple ester
[biological source]

synthetic
[Odor Type]

green
[JECFA Number]

175
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3
[InChIKey]

PBGWNXWNCSSXCO-UHFFFAOYSA-N
[SMILES]

CCCCCCCC(=O)OCCCCCC
[LogP]

6.02
[EPA Substance Registry System]

Octanoic acid, hexyl ester (1117-55-1)
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

RH0763500
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Octanoic acid-->1-Hexanol
Hazard InformationBack Directory
[Chemical Properties]

Hexyl octanoate has a fresh vegetable, slightly fruity odor and a sweet, green, fruity taste
[Occurrence]

Reported found in apple, banana, apricot, grape, melon, strawberry, beer, whisky, cider, grape wines, passion fruit, plum, apple brandy, mountain papaya, Cape gooseberry, Chinese quince peel and pawpaw
[Uses]

flavors and fragrances
[Definition]

ChEBI: An octanoate ester obtained by the formal condensation of octanoic acid with hexan-1-ol.
[Preparation]

By esterification of n-hexanol with caprioc acid
[Taste threshold values]

Taste characteristics at 30 ppm: green, apple, fruity, berry, with fresh, waxy nuances
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 2575(1117-55-1)FT-IR
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