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638-25-5

638-25-5 Structure

638-25-5 Structure
IdentificationMore
[Name]

FEMA 2079
[CAS]

638-25-5
[Synonyms]

AMYL CAPRYLATE
AMYL OCTANOATE
FEMA 2079
N-AMYL CAPRYLATE
N-AMYL N-OCTANOATE
N-AMYL OCTANOATE
N-CAPRYLIC ACID N-AMYL ESTER
N-OCTANOIC ACID N-AMYL ESTER
PENTYL N-OCTANOATE
Amyl octoate
Octanoic acid, pentyl ester
Octanoicacid,pentylester
octanoicacidpentylester
Pentyloctanoate
AMYL OCTANOATE 98+% FCC MIXTURE OF &
N-AMYL OCTANOATE 98+% FCC
n-Pentyl caprylate
n-Pentyl octanoate
Amyl n-Octanoate
n-Octanoic Acid Amyl Ester
[EINECS(EC#)]

211-328-0
[Molecular Formula]

C13H26O2
[MDL Number]

MFCD00048919
[Molecular Weight]

214.34
[MOL File]

638-25-5.mol
Chemical PropertiesBack Directory
[Melting point ]

-34.8°C
[Boiling point ]

260 °C (lit.)
[density ]

0.86 g/mL at 25 °C(lit.)
[FEMA ]

2079
[refractive index ]

n20/D 1.4270(lit.)
[Fp ]

>230 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. orris sweet winey cognac elderflower fatty
[biological source]

synthetic
[Odor Type]

earthy
[JECFA Number]

174
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3
[InChIKey]

GJWGZSBNFSBUPX-UHFFFAOYSA-N
[SMILES]

CCCCCCCC(=O)OCCCCC
[LogP]

5.28
[CAS DataBase Reference]

638-25-5(CAS DataBase Reference)
[EPA Substance Registry System]

Octanoic acid, pentyl ester (638-25-5)
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

2915.90.5050
[Storage Class]

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

p-Toluenesulfonic acid-->1-Pentanol-->Octanoic acid-->Octanoyl bromide-->AMYL FORMATE-->1-Octanol-->Octanal
Hazard InformationBack Directory
[Chemical Properties]

Amyl octanoate has an odor suggestive of orris.
[Occurrence]

Reported found in strawberry, fresh apple, melon, malt whiskey, cider, white wine, sparkling wine and Chinese quince peel.
[Uses]

flavors and fragrances
[Definition]

ChEBI: Pentyl octanoate is an octanoate ester obtained by the formal condensation of carboxy group of octanoic acid with pentan-1-ol. It has a role as a flavouring agent and a plant metabolite. It is functionally related to a pentan-1-ol.
[Preparation]

By esterification of octanoic acid with n-amyl alcohol in benzene solution in the presence of p-toluenesulfonic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 2079(638-25-5)MS
FEMA 2079(638-25-5)1HNMR
FEMA 2079(638-25-5)13CNMR
FEMA 2079(638-25-5)IR1
FEMA 2079(638-25-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

638-25-5(sigmaaldrich)
[TCI AMERICA]

Amyl n-Octanoate,>98.0%(GC)(638-25-5)
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