6-Heptenoic acid Chemical Properties

Melting point:

-6.5 °C (lit.)

Boiling point:

222-224 °C (lit.)

Density 

0.946 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.439(lit.)

Flash point:

>230 °F

storage temp. 

2-8°C

pka

4.75±0.10(Predicted)

form 

liquid

color 

Colourless to light yellow

Water Solubility 

Miscible with water.

BRN 

1747265

InChI

InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)

InChIKey

RWNJOXUVHRXHSD-UHFFFAOYSA-N

SMILES

C(O)(=O)CCCCC=C

LogP

1.930 (est)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

26-36/37/39-45

RIDADR 

UN 3265 8/PG 3

WGK Germany 

3

HazardClass 

8

PackingGroup 

II

HS Code 

2916199590

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

6-Heptenoic acid Usage And Synthesis

Uses

6-Heptenoic acid may be used in the preparation of 6-(iodomethyl)-hexanolide, via iodo-lactonization.

Definition

ChEBI: 6-Heptenoic acid is a heptenoic acid with the double bond at position 6.

Synthesis Reference(s)

Journal of the American Chemical Society, 107, p. 4230, 1985 DOI: 10.1021/ja00300a025
Tetrahedron, 51, p. 4991, 1995 DOI: 10.1016/0040-4020(95)98696-F
Tetrahedron Letters, 24, p. 4439, 1983

General Description

6-Heptenoic acid is a straight-chain terminal alkenoic acid. Electrochemical oxidation of 6-heptenoic acid adsorbed on Pt(111) electrode surface has been reported. Preparation of 6-heptenoic acid has been reported.

Synthesis

synthesis of 6-Heptenoic acid and higher homologs of this ω-unsaturated acid, a study of the pyrolysis of wheptano lactone was undertaken. The lactone was prepared by the oxidation of cycloheptanone under Baeyer-Villiger conditions. The pyrolysis of ω-unsaturated acid was effected by dropping the substance under a nitrogen atmosphere into a heated column packed with glass beads.
Synthesis of 6-Heptenoic Acid

Precautions

Incompatible with strong oxidizing agents, strong acids and bases.

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