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(E,E)-2,6-alloocimene
General Material Information
| Preferred name | (E,E)-2,6-alloocimene |
| Trivial Name | trans-Alloocimene |
| Short Description | 2,4,6-octatriene, 2,6-dimethyl-, (4E,6E)- |
| Formula | C10 H16 |
| CAS Number | 3016-19-1 |
| ECHA Number | 221-153-1 |
| FDA UNII | 6TF53L340E |
| Nikkaji Number | J205.317I |
| Beilstein Number | 1719993 |
| MDL | MFCD00009278 |
| xLogP3-AA | 4.20 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| (4E,6E)-2,6-dimethylocta-2,4,6-triene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3016-19-1 |
| Pubchem (cid): | 5368821 |
| Pubchem (sid): | 134978110 |
| Pherobase: | View |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2901.29.0011 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
| Reincke & Fichtner |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 136.23751831055 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.582 to 6.74 |
| Refractive Index | 1.535 to 1.545 @ 20 °C |
| Boiling Point | 188 to 198°C @ 760 mm Hg |
| Vapor Pressure | 0.816 mmHg @ 25 °C |
| Flash Point TCC Value | 51.67 °C TCC |
| logP (o/w) | 4.392 est |
| Solubility | |
| alcohol | Yes |
| water, 2.348 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Terpenic | |
| terpenic, sweet, fresh, floral | |
| Odor strength | medium |
| Substantivity | 120 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 100.00 %. terpene sweet fresh floral |
Potential Uses
| Applications | |
| Odor purposes | Christmas, Herbal |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 1900 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 309, 1988. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3400 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 309, 1988. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (E,E)-2,6-alloocimene usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3016-19-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5368821 |
| National Institute of Allergy and Infectious Diseases:Data |
| (4E,6E)-2,6-dimethylocta-2,4,6-triene |
| Chemidplus:0003016191 |
| RTECS:RH2010000 for cas# 3016-19-1 |