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| CAS No.: | 112-06-1 |
|---|---|
| Name: | HEPTYL ACETATE |
| Molecular Structure: | |
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| Formula: | C9H18O2 |
| Molecular Weight: | 158.241 |
| Synonyms: | 1-Heptylacetate;Heptyl alcohol, acetate;Heptyl ethanoate;NSC 3833;n-Heptyl acetate; |
| EINECS: | 203-932-8 |
| Density: | 0.876 g/cm3 |
| Melting Point: | -50 °C |
| Boiling Point: | 191.603 °C at 760 mmHg |
| Flash Point: | 68.559 °C |
| Solubility: | soluble in alcohol, ether; insoluble in water |
| Appearance: | Colorless liquid |
| Risk Codes: | 38 |
| Safety: | 15 |
| PSA: | 26.30000 |
| LogP: | 2.51990 |
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Chemistry
Chemistry informtion about Heptyl Acetate (CAS NO.112-06-1) is:
IUPAC Name: Heptyl Acetate
Synonyms: 1-Heptyl Acetate ; 1-Heptylacetate ; Acetate C-7 ; Acetatec-7 ; Heptyl ; Heptylethanoate ; N-Heptyl Ethanoate ; N-Heptylacetat
Product Categories: Alphabetical Listings ; Certified Natural ProductsFlavors and Fragrances ; Flavors and Fragrances ; G-H
MF: C9H18O2
MW: 158.24
EINECS: 203-932-8
Density: 0.876 g/cm3
Melting Point: −50 °C
Flash Point: 68.6 °C
Boiling Point: 191.6 °C at 760 mmHg
Vapour Pressure: 0.51 mmHg at 25°C
Enthalpy of Vaporization: 42.78 kJ/mol
Refractive Index: n20/D 1.414
FEMA: 2547
Following is the molecular structure:
Uses
Heptyl Acetate (CAS NO.112-06-1) is used as a fruit essence flavoring in foods and as a scent in perfumes. It has a woody, fruity, rumlike odor and a spicy, floral taste with a soapy, fatty texture.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 813, 1974. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 813, 1974. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Low toxicity by ingestion and skin contact. Irritating to skin, eyes and mucous membranes. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
WGK Germany: 2
RTECS: AH9901000
Specification
Heptyl Acetate (CAS NO.112-06-1) is a colorless liquid.It is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.Also, it may be harmful by inhalation, ingestion or skin absorption. Irritating to eyes, skin, and mucous membrane. When heated to decomposition, it emits acrid smoke and fumes.