Heptyl formate
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Heptyl formate
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CAS No:
112-23-2
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Formula:
C8H16O2
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Chemical Name:
Heptyl formate
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Synonyms:
Formic acid,heptyl ester;Heptyl alcohol formate;Heptyl formate;n-Heptyl formate;1-Heptyl formate
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CAS No:
Description
colourless liquid with a fruity, floral, orris-rose odour
Heptyl formate is a carboxylic ester.
Characteristics
26.30000
2.76570
colourless liquid with a fruity, floral, orris-rose odour
0.877g/cm3
-46.4°C
178.1 °C
140 °F
n20/D 1.413(lit.)
soluble in ether, most organic solvents; insoluble in water
1mmHg at 25°C
Safety Information
UN 3272 3/PG 3
2
36/38-41
26-36/37/39
LQ8582000
Xi
P280-P305 + P351 + P338
H226-H315-H318
|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 151 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Heptyl formate Use and Manufacturing
It is obtained by boiling methylamine and bromo-n-heptane together. Or directly esterified by formic acid and heptanol.
Spices for food.
Formic acid, heptyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:144.21
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:71.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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