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112-23-2

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Basic Information
CAS No.: 112-23-2
Name: HEPTYL FORMATE
Article Data: 15
Molecular Structure:
Molecular Structure of 112-23-2 (HEPTYL FORMATE)
Formula: C8H16 O2
Molecular Weight: 144.214
Synonyms: Heptylalcohol formate (6CI); 1-Heptyl formate; Heptyl formate; n-Heptyl formate
Density: 0.877g/cm3
Melting Point: -46.4°C
Boiling Point: 178.2°Cat760mmHg
Flash Point: 60°C
Hazard Symbols: Xi
Risk Codes: 36/38-41
Safety: A skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
PSA: 26.30000
LogP: 2.76570
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Chemistry

IUPAC Name: Heptyl formate
Molecular Formula: C8H16O2
Molecular Weight: 144.24g/mol
EINECS: 203-949-0
Transport information: UN 3272 3/PG 3
Density: 0.877g/cm3
Boiling Point: 178.2°C at 760mmHg
Flash Point: 60°C 
Appearance: colourless liquid with a fruity, floral, orris-rose odour
Freely Rotating Bonds: 7
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.413
Molar Refractivity: 41.04 cm3
Molar Volume: 164.2 cm3
Polarizability: 16.27× 10-24 cm3
Surface Tension: 28.3 dyne/cm
Enthalpy of Vaporization: 41.45 kJ/mol
Vapour Pressure: 1 mmHg at 25°C 
Solubility: soluble in ethanol, soluble in most organic solvents such as ethyl ether, insoluble in water.
Stability: in weak acid medium more stable
The Cas Register Number of Heptyl formate is 112-23-2.The chemical synonyms of Heptyl formate (CAS NO.112-23-2) are Heptanol, formate ; n-Heptyl formate ; n-Heptyl methanoate ; n-Heptylmethanoate ; FEMA 2552 ; Formic acid heptyl ester ; Heptyl alcohol formate .Product categories of Heptyl formate (CAS NO.112-23-2) are  Alphabetical Listings ; Flavors and Fragrances ; G-H  .The molecular structure of Heptyl formate (CAS NO.112-23-2) is .

Uses

  Heptyl formate (CAS NO.112-23-2)  is used as spice in food.

Production

It is derived by methylamine and n-heptane bromide  boiled together or by esterification of acid with heptanol.

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

     FCTXAV    Food and Cosmetics Toxicology. 16 (1978),771.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
Risk Statements: 10 
R10: Flammable.
Safety Statements: 16 
S16: Keep away from sources of ignition.