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Methyl heptanoate

Methyl heptanoate structure

CAS No:
106-73-0
Formula:
C8H16O2
Chemical Name:
Methyl heptanoate
Synonyms:
Heptanoic acid,methyl ester;Methyl enanthate;Methyl heptanoate;Methyl heptoate;Methyl n-heptylate;Methyl oenanthylate;Methyl n-heptanoate;Radia 30159;Enanthic methyl ester
Categories:
Cosmetic Ingredient > Perfuming

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Description

Liquid

Liquid|colourless liquid with a fruity, orris odour

Methyl heptanoate is a fatty acid ester.

Methyl heptanoate Basic Attributes

Molecular Weight：

144.21

Exact Mass：

144.21

EC Number：

203-428-8

UNII：

1J543V5703

DSSTox ID：

DTXSID3059345

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

2.83

Appearance：

Liquid

Density：

0.8788 g/cm³ @ Temp: 20 °C

Melting Point：

-56 °C

Boiling Point：

174 °C

Flash Point：

127 °F

Refractive Index：

1.413

Water Solubility：

soluble in organic solvents

Storage Conditions：

Store below +30°C.

Vapor Pressure：

1.43mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

36/37/38

safety instructions：

16-26-36

RTECS Number：

MJ2297500

Marks：

Precautionary statement(s)：

P210-P370 + P378

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (11.13%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1448 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl heptanoate Use and Manufacturing

Uses

Used in organic synthesis and fragrance synthesis

Manufacturing Info：

Heptanoic acid, methyl 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:144.21
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:89.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Hexane

1,4-Butanediol

1,5-Pentanediol

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Guide of Methyl heptanoate

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

Methyl heptanoate

SDS

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