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112-06-1

Basic Information
CAS No.: 112-06-1
Name: HEPTYL ACETATE
Article Data: 64
Molecular Structure:
Molecular Structure of 112-06-1 (HEPTYL ACETATE)
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.