isocitronellene
5,7-dimethyl-1,6-octadiene, (R)-
Identification
| Name | isocitronellene |
| IUPAC | (5R)-5,7-dimethylocta-1,6-diene |
| CAS Number | 85006-04-8 |
| EINECS | 285-035-1 |
| FDA UNII | Search |
| Molecular Formula | C10 H18 |
| Molecular Weight | 138.25346000 |
| Nikkaji Number | J309.579G |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Soluble in | water, 1.669 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for isocitronellene flavor usage levels up to | not for flavor use. |
Foreverest Resources Ltd.
Leading pine based chemicals supplier
Supplying turpentine based and natural/extracted flavor & fragrance ingredients.
Potential Uses
Natural Occurrence
Synonyms
(R)-5,7-
dimethyl octa-1,6-diene
5,7-
dimethyl-1,6-octadiene, (R)-
(5R)-5,7-
dimethylocta-1,6-diene
1,6-
octadiene, 5,7-dimethyl-, (R)-
PubMed:
Quantum chemical investigation of the thermal rearrangement of cis- and trans-pinane.
PubMed:
Thermal isomerization of (+)-cis- and (-)-trans-pinane leading to (-)-beta-citronellene and (+)-isocitronellene.
PubMed:
Kinetic model for the thermal rearrangement of cis- and trans-pinane.