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2311-46-8

2311-46-8 Structure

2311-46-8 Structure
IdentificationMore
[Name]

N-CAPROIC ACID ISOPROPYL ESTER
[CAS]

2311-46-8
[Synonyms]

FEMA 2950
ISOPROPYL CAPROATE
ISOPROPYL HEXANOATE
ISOPROPYL N-HEXANOATE
N-CAPROIC ACID ISOPROPYL ESTER
N-HEXANOIC ACID ISOPROPYL ESTER
1-Methylethylhexanoate
Hexanoic acid, isopropyl ester
Hexanoicacid,1-methylethylester
hexanoicacid1-methylethylester
hexanoicacidisopropylester
n-C5H11C(O)OCH(CH3)2
Isoproyl hexanoate
Isopropyl haxanoate
Caproic acid isopropyl ester
[EINECS(EC#)]

219-000-9
[Molecular Formula]

C9H18O2
[MDL Number]

MFCD00059436
[Molecular Weight]

158.24
[MOL File]

2311-46-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

168 °C
[density ]

0.86
[FEMA ]

2950
[refractive index ]

1.4060-1.4080
[Fp ]

54 °C
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in dipropylene glycol. fruity pineapple loganberry berry
[Odor Type]

fruity
[JECFA Number]

308
[LogP]

3.18
[CAS DataBase Reference]

2311-46-8(CAS DataBase Reference)
Safety DataBack Directory
[RIDADR ]

3272
[HS Code ]

2915.90.5050
[HazardClass ]

3
[PackingGroup ]

III
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isopropyl alcohol-->Hexyl hexanoate-->5-HEXENOIC ACID METHYL ESTER-->Hexanoyl chloride-->carbon monoxide-->1-Hexanol-->TRANS-1,3-PENTADIENE-->HEXANOIC ANHYDRIDE-->Hexanoic acid-->Hexanal
[Preparation Products]

Ethyl Hexanoate
Hazard InformationBack Directory
[Description]

Isopropyl hexanoate has a sweet, delicate, fruity odor of pineapple and a fresh, sweet, berry-like taste.
[Chemical Properties]

Isopropyl hexanoate has a sweet, delicate, fruity odor of pineapple; fresh, sweet, berry-like taste
[Occurrence]

Reported found in strawberry, blue cheese, Parmesan and Gruyere cheese, grapes and starfruit
[Definition]

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

By esterification of hexanoic acid with isopropyl alcohol in benzene solution in the presence of trace amounts of concentrated H2SO4 and subsequent azeotropic distillation
Spectrum DetailBack Directory
[Spectrum Detail]

N-CAPROIC ACID ISOPROPYL ESTER(2311-46-8)MS
N-CAPROIC ACID ISOPROPYL ESTER(2311-46-8)1HNMR
N-CAPROIC ACID ISOPROPYL ESTER(2311-46-8)13CNMR
N-CAPROIC ACID ISOPROPYL ESTER(2311-46-8)IR1
N-CAPROIC ACID ISOPROPYL ESTER(2311-46-8)Raman
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

Isopropyl Hexanoate,>98.0%(GC)(2311-46-8)
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