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1119-60-4

1119-60-4 Structure

1119-60-4 Structure
IdentificationBack Directory
[Name]

6-HEPTENOIC ACID
[CAS]

1119-60-4
[Synonyms]

6-HEPTENOIC ACID
hept-6-enoic acid
RARECHEM AL BO 1361
6-Heptenoic acid 99%
[EINECS(EC#)]

214-283-5
[Molecular Formula]

C7H12O2
[MDL Number]

MFCD00014382
[MOL File]

1119-60-4.mol
[Molecular Weight]

128.17
Chemical PropertiesBack Directory
[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.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[form ]

liquid
[pka]

4.75±0.10(Predicted)
[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 DataBack Directory
[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
Hazard InformationBack Directory
[Uses]

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

6-Heptenoic acid is used in the preparation of 6-(iodomethyl)-hexanolide through iodo-lactonization.
[Definition]

ChEBI: 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.
Spectrum DetailBack Directory
[Spectrum Detail]

6-Heptenoic acid(1119-60-4)1HNMR
6-Heptenoic acid(1119-60-4)Raman
6-Heptenoic acid(1119-60-4)FT-IR
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