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7779-80-8

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Basic Information
CAS No.: 7779-80-8
Name: FEMA 2200
Molecular Structure:
Molecular Structure of 7779-80-8 (FEMA 2200)
Formula: C11H22 O2
Molecular Weight: 186.294
Synonyms: Heptanoicacid, isobutyl ester (8CI); Isobutyl heptanoate; Isobutyl heptylate
EINECS: 231-940-1
Density: 0.87 g/cm3
Melting Point: -67.5°C (estimate)
Boiling Point: 208 °C at 760 mmHg
Flash Point: 82.9 °C
Solubility: soluble in most organic solvents
Appearance: colourless liquid with a green odour
Safety: A skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ESTERS.
PSA: 26.30000
LogP: 3.15600
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Chemistry

Product Name: Isobutyl heptylate (CAS NO.7779-80-8)


Molecular Formula: C11H22O2
Molecular Weight: 186.29g/mol
Mol File: 7779-80-8.mol
Einecs: 231-940-1
Appearance: Colourless liquid with a green odour
Boiling point: 208 °C at 760 mmHg
Flash Point: 82.9 °C
Density: 0.87 g/cm3
Solubility: Soluble in most organic solvents
Surface Tension: 27.9 dyne/cm
Enthalpy of Vaporization: 44.43 kJ/mol
Vapour Pressure: 0.219 mmHg at 25°C
XLogP3-AA: 3.9
H-Bond Donor: 0
H-Bond Acceptor: 2

Uses

 Isobutyl heptylate (CAS NO.7779-80-8) can be used as food spice.

Production

 Isobutyl heptylate (CAS NO.7779-80-8) can be heptanoic acid derived from direct esterification with isobutanol. It can also be heptanoic acid and iso-butanol in skim celandine (Chelidonium majus) seeds in the presence of at 20 °C to maintain 3 days derived.

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

     FCTXAV    Food and Cosmetics Toxicology. 16 (1978),799.

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.

Specification

 Isobutyl heptylate ,its CAS NO. is 7779-80-8,the synonyms is  FEMA 2200 ; Iso-butyl-heptanoate ; Heptanoic acid, 2-methylpropyl ester ; Heptanoic acid, isobutyl ester ; Heptanoicacid,2-methylpropylester ; Heptanoicacid,isobutylester ; Isobutyl heptylate ; Iso-butyl n-heptanoate .