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ChemicalBook--->CAS DataBase List--->6309-51-9

6309-51-9

6309-51-9 Structure

6309-51-9 Structure
IdentificationMore
[Name]

ISOAMYL LAURATE
[CAS]

6309-51-9
[Synonyms]

FEMA 2077
ISOAMYL LAURATE
ISOPENTYL DODECANOATE
ISOPENTYL LAURATE
LAURIC ACID ISOAMYL ESTER
3-Methylbutyl dodecanoate
Dodecanoic acid, 3-methylbutyl ester
Dodecanoicacid,3-methylbutylester
Isoamyl dodecanoate
iso-Amyl n-dodecanoate
Lauric acid, isopentyl ester
ISOAMYL LAURATE 97+%
Isopentyldodecanoate,97%
dodecanoic acid, isobutyl ester
dodecanoic acid, isopentyl ester
ISOAMYL LAURATE, NATURAL
Dodecanoic acid isoamyl ester
[EINECS(EC#)]

228-626-1
[Molecular Formula]

C17H34O2
[MDL Number]

MFCD00048429
[Molecular Weight]

270.45
[MOL File]

6309-51-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

170 °C / 2mmHg
[density ]

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

0.005Pa@20°C
[FEMA ]

2077
[refractive index ]

n20/D 1.436(lit.)
[Fp ]

>230 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. wine waxy oily fatty peach
[Odor Type]

waxy
[JECFA Number]

182
[InChI]

InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
[InChIKey]

FVKRIDSRWFEQME-UHFFFAOYSA-N
[SMILES]

C(OCCC(C)C)(=O)CCCCCCCCCCC
[LogP]

7.43
[CAS DataBase Reference]

6309-51-9(CAS DataBase Reference)
[EPA Substance Registry System]

Dodecanoic acid, 3-methylbutyl ester (6309-51-9)
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

2915.90.5050
Hazard InformationBack Directory
[Description]

Isoamyl laurate has a very faint, oily, fatty odor and a fatty flavor.
[Chemical Properties]

Isoamyl laurate has a very faint, oily, fatty odor; fatty flavor.
[Occurrence]

Reported found at the 3% level in fusel oil from raisins, in grapes, beer, cognac, brandy, rum, malt whiskey, port and sparkling wine, plum wine, babaco fruit (Carica pentagona Heilborn) and sea buckthorn (Hippophae rhamnoides L.)
[Uses]

Occasionally used as a fixative, more often as a solvent in perfume compositions. It has excellent properties as a solvent for Resins, Resinoids, Gums, Oleoresins, etc., and for poorly soluble crystalline perfume materials (Nitromusks, etc.). Its odor is extremely faint, oily-fatty, dependent upon the quality of the parent Laurie acid. The ester is occasionally used in flavour compositions, mainly for special effects (fatty-fruity notes) in Peach and similar flavours. It is also used generally in fruit flavor compositions and for liqueur flavorings.
[Definition]

ChEBI: 3-methylbutyl dodecanoate is a fatty acid ester obtained by the formal condensation of dodecanoic acid with 3-methylbutan-1-ol. It has a role as a metabolite. It is functionally related to an isoamylol.
[Aroma threshold values]

Aroma characteristics at 5.0%: winey, woody, alcoholic, fatty, creamy, whiskey with a fresh yeasty nuance.
[Taste threshold values]

Taste characteristics at 10 ppm: fatty mouthfeel, whiskey and fermented.
[Flammability and Explosibility]

Nonflammable(100%)
Spectrum DetailBack Directory
[Spectrum Detail]

ISOAMYL LAURATE(6309-51-9)MS
ISOAMYL LAURATE(6309-51-9)1HNMR
ISOAMYL LAURATE(6309-51-9)13CNMR
ISOAMYL LAURATE(6309-51-9)IR1
ISOAMYL LAURATE(6309-51-9)IR2
ISOAMYL LAURATE(6309-51-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Isopentyl dodecanoate, 97%(6309-51-9)
[Sigma Aldrich]

6309-51-9(sigmaaldrich)
[TCI AMERICA]

Isoamyl Laurate,>97.0%(GC)(6309-51-9)
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