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Butyl heptanoate

Butyl heptanoate structure

CAS No:
5454-28-4
Formula:
C11H22O2
Chemical Name:
Butyl heptanoate
Synonyms:
Heptanoic acid,butyl ester;Butyl heptanoate;Butyl enanthate;NSC 23048
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Colorless transparent liquid Butyl heptanoate has a characteristic herbaceous, slightly fruity odor and corresponding taste.

Liquid|colourless liquid with a herbaceous, slightly fruity odour

Butyl heptanoate is a fatty acid ester.

Butyl heptanoate Basic Attributes

Molecular Weight：

186.29

Exact Mass：

186.29

EC Number：

226-707-6

UNII：

0Y61V5656M

NSC Number：

23048

DSSTox ID：

DTXSID9063906

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

3.30010

Appearance：

Liquid

Density：

0.8799 g/cm³ @ Temp: 0 °C

Melting Point：

-67.5 °C

Boiling Point：

226.2 °C

Flash Point：

188 °F

Refractive Index：

n20/D 1.421(lit.)

Water Solubility：

soluble in most organic solvents

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Butyl heptanoate Use and Manufacturing

Methods of Manufacturing

It is formed by direct esterification of heptanoic acid and n-butanol in the presence of inorganic acid.

Uses

my country~"s GB 2760-96 stipulates that it is allowed to use edible spices. Mainly used to prepare fruit flavors such as apples.

Manufacturing Info：

Heptanoic acid, butyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

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

Material

1-Hexene

1-Butanol

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Guide of Butyl heptanoate

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

Butyl heptanoate

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