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Heptyl octanoate

Heptyl octanoate structure

CAS No:
4265-97-8
Formula:
C15H30O2
Chemical Name:
Heptyl octanoate
Synonyms:
Octanoic acid,heptyl ester;Caprylic acid,heptyl ester;Heptyl octanoate;Heptyl caprylate;NSC 23958
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

n-Heptyl octanoate has an oily, green odor and favor.

Liquid|colourless, oily liquid with a green odour

Heptyl octanoate is a fatty acid ester.

Heptyl octanoate Basic Attributes

Molecular Weight：

242.4

Exact Mass：

242.40

EC Number：

224-252-8

UNII：

RV47OTT39J

NSC Number：

23958

DSSTox ID：

DTXSID80195382

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

4.86050

Appearance：

Liquid

Density：

0.866g/cm3

Melting Point：

-10.6 °C

Boiling Point：

290.5 °C

Flash Point：

130℃

Refractive Index：

1.437

Water Solubility：

insoluble in water

Safety Information

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 114 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

heptyl octanoate

Heptyl octanoate Use and Manufacturing

Methods of Manufacturing

It is obtained by direct esterification of n-heptanol and n-octanoic acid.

Uses

Spices for food.

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:242.40
XLogP3:5.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:13
Exact Mass:242.224580195
Monoisotopic Mass:242.224580195
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Heptyl octanoate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Heptyl octanoate

SDS

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