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5921-83-5

5921-83-5 Structure

5921-83-5 Structure
IdentificationBack Directory
[Name]

HEPTAN-3-YLACETATE
[CAS]

5921-83-5
[Synonyms]

3-heptyl acetate
HEPTAN-3-YLACETATE
3-Heptanol, 3-acetate
Acetic acid 1-ethylpentyl ester
[Molecular Formula]

C9H18O2
[MDL Number]

MFCD28404775
[MOL File]

5921-83-5.mol
[Molecular Weight]

158.24
Chemical PropertiesBack Directory
[Melting point ]

-50.2°C (estimate)
[Boiling point ]

183.34°C (estimate)
[density ]

0.8625
[vapor pressure ]

0.8625
[FEMA ]

3980 | (+/-)-HEPTAN-3-YL ACETATE
[refractive index ]

1.4100
[Odor]

at 100.00 %. sweet floral rose pear
[Odor Type]

floral
[JECFA Number]

1143
[LogP]

3.18
Hazard InformationBack Directory
[Uses]

flavors and fragrances
[Definition]

ChEBI: 3-Heptyl acetate is a carboxylic ester.
[Preparation]

As cited in a U S patent, heptan-3-yl acetate is prepared from the reaction of diphenylmethyl 3-hydroxy-4-(4-toluenesul- fonyl)oxy-butyrate, 4-acetoxyazetidin-2-one, palladium acetate, triethyl amine and benzene.
[Aroma threshold values]

Aroma characteristics at 1.0%: powdery, foral geranium-like, fruity with a fresh plum nuance.
[Taste threshold values]

Taste characteristics at 10 ppm: strong powdery, foral rosy with a dry herbaceous fruity fnish.
Spectrum DetailBack Directory
[Spectrum Detail]

HEPTAN-3-YLACETATE(5921-83-5)MS
HEPTAN-3-YLACETATE(5921-83-5)IR1
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