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41114-00-5

41114-00-5 Structure

41114-00-5 Structure
IdentificationMore
[Name]

N-PENTADECANOIC ACID ETHYL ESTER
[CAS]

41114-00-5
[Synonyms]

ETHYL N-PENTADECANOATE
ETHYL PENTADECANOATE
N-PENTADECANOIC ACID ETHYL ESTER
PENTADECANOIC ACID ETHYL ESTER
N-PENTADECANOIC ACID ETHYL ESTER 97+%
PENTADECANOIC ACID ETHYL ESTER 99%
[EINECS(EC#)]

255-223-8
[Molecular Formula]

C17H34O2
[MDL Number]

MFCD00042872
[Molecular Weight]

270.45
[MOL File]

41114-00-5.mol
Chemical PropertiesBack Directory
[Melting point ]

12-14 °C
[Boiling point ]

158 °C / 5mmHg
[density ]

0.859 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.439
[Fp ]

12 °C
[storage temp. ]

-20°C
[solubility ]

Almost insoluble in water, soluble in alcohol and oils
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. honey sweet
[Odor Type]

sweet
[BRN ]

1780986
[InChI]

1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h3-16H2,1-2H3
[InChIKey]

PTEYJUIKYIKULL-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCCCCC(=O)OCC
[LogP]

7.409 (est)
[CAS DataBase Reference]

41114-00-5(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29159000
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

Ethyl Pentadecanoate is a flavor and off-flavor compound that is found in cork stoppers produced by fungi.
[Definition]

ChEBI: Ethyl pentadecanoate is a fatty acid ester.
[Synthesis]

Ethyl Pentadecanoate is produced from (naturally occurring) Palmitic acid via Pentadecyl methylketone, by oxidation to Pentadecanoic acid, which is esterified to subject material.
Spectrum DetailBack Directory
[Spectrum Detail]

N-PENTADECANOIC ACID ETHYL ESTER(41114-00-5)MS
N-PENTADECANOIC ACID ETHYL ESTER(41114-00-5)1HNMR
N-PENTADECANOIC ACID ETHYL ESTER(41114-00-5)13CNMR
N-PENTADECANOIC ACID ETHYL ESTER(41114-00-5)IR1
N-PENTADECANOIC ACID ETHYL ESTER(41114-00-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

41114-00-5(sigmaaldrich)
[TCI AMERICA]

Ethyl Pentadecanoate,>97.0%(GC)(41114-00-5)
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