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40853-55-2

40853-55-2 Structure

40853-55-2 Structure
IdentificationBack Directory
[Name]

ACETIC ACID 2-ISOPROPYL-5-METHYLHEXYL ESTER
[CAS]

40853-55-2
[Synonyms]

TETRAHYDROLAVANDULYL ACETATE
2-ISOPROPYL-5-METHYLHEXYL ACETATE
Aceticacidisopropylmethylhexylester
ACETIC ACID 2-ISOPROPYL-5-METHYLHEXYL ESTER
5-Methyl-2-(1-methylethyl)-1-hexanol acetate
1-Hexanol, 5-methyl-2-(1-methylethyl)-, acetate
Acetic acid 2-(1-methylethyl)-5-methylhexyl ester
Acetic Acid 2-Isopropyl-5-methylhexyl Ester Tetrahydrolavandulyl Acetate
[EINECS(EC#)]

255-112-4
[Molecular Formula]

C12H24O2
[MDL Number]

MFCD00129077
[MOL File]

40853-55-2.mol
[Molecular Weight]

200.32
Chemical PropertiesBack Directory
[Boiling point ]

220 °C
[density ]

0.87
[refractive index ]

1.4260-1.4280
[solubility ]

Practically insoluble in water, soluble in alcohol and oils
[form ]

liquid
[color ]

Colorless
[Specific Gravity]

0.87
[Odor]

Sweet, fruity -herbaceous odor
[LogP]

4.393 (est)
Safety DataBack Directory
[Signal word ]

Warning
[Hazard statements ]

H227
[Precautionary statements ]

P210-P280-P370+P378-P403+P235-P501
Hazard InformationBack Directory
[Uses]

This ester has had use in perfumery as a modifier for Linalyl acetate in Lavender, Lavandin, Bergamot and other compositions. It became available at a time of very high cost of Linalyl acetate and almost non-existence of other Lavender esters.
[Preparation]

by Acetylation of Tetrahydrolavandulol. This alcohol is a primary alcohol and therefore esterified much safer than Linalool.
Spectrum DetailBack Directory
[Spectrum Detail]

ACETIC ACID 2-ISOPROPYL-5-METHYLHEXYL ESTER(40853-55-2)MS
ACETIC ACID 2-ISOPROPYL-5-METHYLHEXYL ESTER(40853-55-2)1HNMR
ACETIC ACID 2-ISOPROPYL-5-METHYLHEXYL ESTER(40853-55-2)13CNMR
ACETIC ACID 2-ISOPROPYL-5-METHYLHEXYL ESTER(40853-55-2)IR1
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