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Heptyl butyrate

Heptyl butyrate structure

CAS No:
5870-93-9
Formula:
C11H22O2
Chemical Name:
Heptyl butyrate
Synonyms:
Butanoic acid,heptyl ester;Butyric acid,heptyl ester;Heptyl butyrate;Heptyl butanoate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Heptyl butyrate has a fruity, chamomile-like odor and a sweet, green, tea-like taste suggestive of plum.

Liquid|colourless liquid with a camomile odour

Heptyl butyrate is a fatty acid ester.

Heptyl butyrate Basic Attributes

Molecular Weight：

186.29

Exact Mass：

186.29

EC Number：

227-526-5

UNII：

6YF38H29F1

DSSTox ID：

DTXSID0042038

Characteristics

PSA：

26.3

XLogP3：

3.30010

Appearance：

Colourless with characteristic green-tea odour Liquid.

Density：

0.8827 g/cm³

Melting Point：

-57.5 °C

Boiling Point：

225.8 °C

Flash Point：

195 °F

Refractive Index：

n20/D 1.4215(lit.)

Water Solubility：

slightly|soluble in alcohol, propylene glycol; insoluble in water

Safety Information

wgk germany：

RTECS Number：

EK7876000

GHS Classification：

Not Classified

Heptyl butyrate Use and Manufacturing

Methods of Manufacturing

It is synthesized from n-heptanol and butyric acid in the presence of HCl.

Uses

GB 2760-1997 stipulates the permitted food spices.

Manufacturing Info：

Butanoic acid, heptyl ester: ACTIVE

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:186.29
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 5870-93-9

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Guide of Heptyl butyrate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Heptyl butyrate

SDS

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