ChemicalBook--->CAS DataBase List--->7779-70-6

7779-70-6

7779-70-6 Structure

7779-70-6 Structure
IdentificationBack Directory
[Name]

FEMA 2078
[CAS]

7779-70-6
[Synonyms]

FEMA 2078
Isoamyl nonoate
ISOAMYL NONANOATE
FEMA 2078 USP/EP/BP
Isopentyl nonanoate
ISOAMYL PELARGONATE
3-Methylbutyl nonanoate
ISOAMYL NONANOATE 96+%
Azelaic acid isoaMyl ester
Nonanoic acid isoamyl ester
Isoamyl nonanoate ISO >=98.0%
Nonanoic acid, isopentyl ester
nonanoicacid,3-methylbutylester
[EINECS(EC#)]

231-933-3
[Molecular Formula]

C14H28O2
[MDL Number]

MFCD00048959
[MOL File]

7779-70-6.mol
[Molecular Weight]

228.37
Chemical PropertiesBack Directory
[Appearance]

Liquid; fruity odor.Combustible.
[Boiling point ]

260 °C(lit.)
[density ]

0.86 g/mL at 25 °C(lit.)
[FEMA ]

2078 | ISOAMYL NONANOATE
[refractive index ]

n20/D 1.429(lit.)
[Fp ]

>230 °F
[Odor]

at 100.00 %. fruity oily apricot floral
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

48
[Major Application]

flavors and fragrances
[InChI]

1S/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3
[InChIKey]

SHGMLOSSRPFLKG-UHFFFAOYSA-N
[SMILES]

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

5.84
[Uses]

Flavors and perfumes, chemical intermediate.
[CAS DataBase Reference]

7779-70-6
[EPA Substance Registry System]

Isoamyl nonanoate (7779-70-6)
Hazard InformationBack Directory
[Chemical Properties]

Liquid; fruity odor.Combustible.
[Description]

Isoamyl nonanoate has a nutty, oily, apricot-like odor and a fruity, winey, cognac-rum flavor. May be prepared from isoamyl alcohol and pelargonic acid.
[Occurrence]

Reported found in banana, strawberry, beer and sparkling wine.
[Definition]

ChEBI: 3-Methylbutyl nonanoate is a fatty acid ester.
[Preparation]

From isoamyl alcohol and pelargonic acid.
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

12 - Non Combustible Liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nonanoic acid
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 2078(7779-70-6)1HNMR
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