6-Heptenoic acid
- CAS NO.：1119-60-4
- Empirical Formula: C7H12O2
- Molecular Weight: 128.17
- MDL number: MFCD00014382
- EINECS: 214-283-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:20:54
What is 6-Heptenoic acid?
The Uses of 6-Heptenoic acid
6-Heptenoic acid may be used in the preparation of 6-(iodomethyl)-hexanolide, via iodo-lactonization.
What are the applications of Application
6-Heptenoic acid is 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.
Properties of 6-Heptenoic acid
| Melting point: | -6.5 °C (lit.) |
| Boiling point: | 222-224 °C (lit.) |
| Density | 0.946 g/mL at 25 °C (lit.) |
| refractive index | n |
| 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) |
Safety information for 6-Heptenoic acid
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 6-Heptenoic acid
| InChIKey | RWNJOXUVHRXHSD-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCC=C |
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