Methyl heptanoate Chemical Properties

Melting point:

-56°C

Boiling point:

172-173 °C(lit.)

Density 

0.87 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.411(lit.)

FEMA 

2705 | METHYL HEPTANOATE

Flash point:

127 °F

storage temp. 

room temp

solubility 

Chloroform: soluble; Ethanol: soluble; Ethyl ether: soluble

form 

Liquid

color 

Colorless to Light yellow

Odor

at 100.00 %. sweet fruit green orris waxy floral berry

Odor Type

fruity

JECFA Number

167

BRN 

1747147

Dielectric constant

4.3600000000000003

LogP

2.83

CAS DataBase Reference

106-73-0(CAS DataBase Reference)

NIST Chemistry Reference

Heptanoic acid, methyl ester(106-73-0)

EPA Substance Registry System

Methyl heptanoate (106-73-0)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

16-26-36

RIDADR 

UN 3272 3/PG 3

WGK Germany 

2

RTECS 

MJ2297500

HS Code 

2915 90 70

HazardClass 

3.2

PackingGroup 

III

Toxicity

LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

Methyl heptanoate Usage And Synthesis

Description

Methyl heptanoate has a strong, almost fruity, orris-like odor with a currant-like flavor. Methyl heptanoate may be prepared by treating heptanoic acid with methyl alcohol in the presence of HCL or H2SO4.

Chemical Properties

Methyl heptanoate has a strong, almost fruity, orris-like odor and currant-like flavor.

Chemical Properties

clear colorless liquid

Occurrence

Reported found in cranberry, papaya, pineapple, blackberry, strawberry, peas, pepper, Parmesan cheese, hop oil, white wine, olive, starfruit, malt, Bourbon vanilla, mountain papaya, endive, nectarine, lanb’s lettuce, mussel, spineless monkey orange and rooibus tea (Aspalathus linearis)

Uses

Heptanoic Acid Methyl Ester is an aroma and flavor constituent in MD2 pineapple variety (Ananas comosus [L.] Merr.)

Uses

Methyl heptanoate may be used as an external standard for the extraction and quantification of aroma compounds in stratch matrices using gas chromatography technique.

Definition

ChEBI: Methyl heptanoate is a fatty acid ester.

Preparation

By treating heptanoic acid with methyl alcohol in the presence of HCl or H2SO4

Aroma threshold values

Detection: 4 ppb

Taste threshold values

Taste characteristics at 35 ppm: sweet fruity and green

Synthesis Reference(s)

Canadian Journal of Chemistry, 52, p. 3651, 1974 DOI: 10.1139/v74-546
Journal of the American Chemical Society, 95, p. 1296, 1973 DOI: 10.1021/ja00785a047
Tetrahedron Letters, 29, p. 3833, 1988 DOI: 10.1016/S0040-4039(00)82127-9

General Description

Methyl heptanoate has been identified in pineapple, Hardy kiwifruit and salak fruit.

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