ChemicalBook--->CAS DataBase List--->5458-59-3

5458-59-3

5458-59-3 Structure

5458-59-3 Structure
IdentificationBack Directory
[Name]

N-CAPRYLIC ACID ISOPROPYL ESTER
[CAS]

5458-59-3
[Synonyms]

Isopropyloctanoat
ISOPROPYL OCTANOATE
ISOPROPYL CAPRYLATE
propan-2-yl octanoate
ISOPROPYL N-OCTANOATE
1-Methylethyloctanoate
Isopropyln-Octanoate>
caprylicacidisopropylester
octanoicacidisopropylester
Isopropyl n-Octanoate
octanoicacid1-methylethylester
Octanoic acid, isopropyl ester
Octanoicacid,1-methylethylester
N-OCTANOIC ACID ISOPROPYL ESTER
N-CAPRYLIC ACID ISOPROPYL ESTER
Octanoic acid, 1-methylethyl ester
[EINECS(EC#)]

226-721-2
[Molecular Formula]

C11H22O2
[MDL Number]

MFCD00059256
[MOL File]

5458-59-3.mol
[Molecular Weight]

186.29
Chemical PropertiesBack Directory
[Melting point ]

-46.2°C (estimate)
[Boiling point ]

125°C 40mm
[density ]

0,86 g/cm3
[refractive index ]

1.4140 to 1.4190
[Fp ]

94°C
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. carao banana coconut cognac
[Odor Type]

fruity
[Cosmetics Ingredients Functions]

PERFUMING
[LogP]

4.196 (est)
Safety DataBack Directory
[HS Code ]

2915.90.5050
Hazard InformationBack Directory
[Chemical Properties]

Colorless oily liquid. Sp.Gr. 0.87. B.P. 217℃. Practically insoluble in water, soluble in alcohol and oils.
[Uses]

Isopropyl caprylate is mentioned in flavor literature, and occasionally offered commercially as a flavor ester, but it is less natural than the n-propylester, and does not have any advantages over that ester.
[Definition]

ChEBI: Isopropyl octanoate is a fatty acid ester.
[Preparation]

Isopropyl caprylate is produced by azeotropic esterification of iso-Propanol with n-Octanoic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

N-CAPRYLIC ACID ISOPROPYL ESTER(5458-59-3)1HNMR
N-CAPRYLIC ACID ISOPROPYL ESTER(5458-59-3)13CNMR
N-CAPRYLIC ACID ISOPROPYL ESTER(5458-59-3)IR1
N-CAPRYLIC ACID ISOPROPYL ESTER(5458-59-3)Raman
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