| Identification | Back 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 Properties | Back 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 | [Major Application]
flavors and fragrances | [InChI]
1S/C9H18O2/c1-4-6-7-9(5-2)11-8(3)10/h9H,4-7H2,1-3H3 | [InChIKey]
QICIMADZMWGDTQ-UHFFFAOYSA-N | [SMILES]
CCC(OC(C)=O)CCCC | [LogP]
3.18 |
| Hazard Information | Back 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. |
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jiliang chemicals
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Sigma-Aldrich
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Merck KGaA
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AstaTech, Inc
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