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ChemicalBook--->CAS DataBase List--->7786-58-5

7786-58-5

7786-58-5 Structure

7786-58-5 Structure
IdentificationBack Directory
[Name]

FEMA 2814
[CAS]

7786-58-5
[Synonyms]

FEMA 2814
ENT 30598
NSC 21891
OCTYL ISOVALERATE
n-Octyl-Isovalerate
Octyl 3-methyl butyrate
OCTYL ISOVALERATE 98+%
Octyl-3-methylbutanoate
n-Octyl-3-methyl butyrate
Isovaleric acid, octyl ester
Butanoic acid, 3-methyl-, octyl ester
[EINECS(EC#)]

232-100-7
[Molecular Formula]

C13H26O2
[MDL Number]

MFCD00072183
[MOL File]

7786-58-5.mol
[Molecular Weight]

214.34
Chemical PropertiesBack Directory
[Melting point ]

-42.3°C (estimate)
[Boiling point ]

249-251 °C(lit.)
[density ]

0.862 g/mL at 25 °C(lit.)
[FEMA ]

2814 | OCTYL ISOVALERATE
[refractive index ]

n20/D 1.425(lit.)
[Fp ]

>230 °F
[Odor]

at 100.00 %. mild warm floral rose honey apple pineapple
[Odor Type]

floral
[JECFA Number]

200
[LogP]

5.31
[EPA Substance Registry System]

Octyl isovalerate (7786-58-5)
Safety DataBack Directory
[WGK Germany ]

3
Hazard InformationBack Directory
[Description]

Octyl isovalerate has a strong odor reminiscent of fatty aldehyde with an apple-pineapple undertone. May be prepared by esterification of n-octanol with isovaleric acid.
[Chemical Properties]

n-Octyl isovalerate has a strong odor reminiscent of fatty aldehyde with an apple–pineapple undertone.
[Occurrence]

Reported found among the volatile constituents of the aroma of fresh Florida orange juice and babaco fruit (Carica pentagona Heilborn).
[Definition]

ChEBI: Octyl 3-methyl-butanoate is a carboxylic ester.
[Preparation]

By esterification of n-octanol with isovaleric acid.
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 2814(7786-58-5)MS
FEMA 2814(7786-58-5)1HNMR
FEMA 2814(7786-58-5)IR1
FEMA 2814(7786-58-5)IR2
FEMA 2814(7786-58-5)Raman
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