ChemicalBook--->CAS DataBase List--->42598-96-9

42598-96-9

42598-96-9 Structure

42598-96-9 Structure
IdentificationBack Directory
[Name]

ACETOACETIC ACID N-HEPTYL ESTER
[CAS]

42598-96-9
[Synonyms]

Ai3-06479
Einecs 255-906-0
heptyl acetoacetate
N-HEPTYL ACETOACETATE
LABOTEST-BB LTBB001309
Acetoaceticacidheptylester
3-Oxobutyric acid heptyl ester
ACETOACETIC ACID N-HEPTYL ESTER
3-Oxobutanoic acid heptyl ester
Butanoic acid, 3-oxo-, heptyl ester
[EINECS(EC#)]

255-906-0
[Molecular Formula]

C11H20O3
[MDL Number]

MFCD00027313
[MOL File]

42598-96-9.mol
[Molecular Weight]

200.27
Chemical PropertiesBack Directory
[Boiling point ]

170 °C / 30mmHg
[density ]

0,95 g/cm3
[refractive index ]

1.4370-1.4410
[LogP]

2.915 (est)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard InformationBack Directory
[Physical properties]

Colorless, oily liquid. Insoluble in water, soluble in alcohol and oils.
[Production Methods]

Acetoacetic acid N-heptyl ester can be produced from Heptanol and Diketen.
Questions And AnswerBack Directory
[Aroma]

Pleasant, oily-green, rich and sweet odor with vinous undertone and moderate tenacity.
[Uses in Perfume]

Acetoacetic acid N-heptyl ester has found use in perfume compositions, mainly in specialties and bases intended for topnote work in the Citrus and light-floral type. The ester is mrely sold under its proper chemical name, but it enters a number of very useful bases of fresh, greencilrusy character and unusual power.
It performs very well with the equally clandestine Hydroxycaproic aldehydcs and related aldehydes, acctals, etc. and it can be used with or without Citral - it gives a lemony effect if there are lemony materials present to be enhanced, while it has a similar lifting effect upon Bergamot and other Citrus oils. Light florals, such as Muguet and Freesia or the more imaginary waterlily type may also benefit from traces of the title aldehyde or compositions made thereof.
Spectrum DetailBack Directory
[Spectrum Detail]

ACETOACETIC ACID N-HEPTYL ESTER(42598-96-9)MS
ACETOACETIC ACID N-HEPTYL ESTER(42598-96-9)IR1
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