Articles:
2,4,6-octatriene, 2,6-dimethyl-, (4E,6E)-
Notes:
None found
| CAS Number: | 3016-19-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 221-153-1 | |
| FDA UNII: | 6TF53L340E | |
| Nikkaji Web: | J205.317I | |
| Beilstein Number: | 1719993 | |
| MDL: | MFCD00009278 | |
| XlogP3-AA: | 4.20 (est) | |
| Molecular Weight: | 136.23752000 | |
| Formula: | C10 H16 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to greenish yellow clear liquid (est) |
| Assay: | 80.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.79100 to 0.81000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.582 to 6.740 |
| Refractive Index: | 1.53500 to 1.54500 @ 20.00 °C. |
| Melting Point: | -35.40 °C. @ 760.00 mm Hg |
| Boiling Point: | 188.00 to 198.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.816000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 125.00 °F. TCC ( 51.67 °C. ) |
| logP (o/w): | 4.392 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.348 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: terpenic | |
| Odor Strength: | medium |
| Substantivity: | 120 hour(s) at 100.00 % |
| terpenic sweet fresh floral | |
| Odor Description: at 100.00 %. | terpene sweet fresh floral Luebke, William tgsc, (1989) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Reincke & Fichtner |
| alloOcimene |
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 | ||
| 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 |
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 |
Potential Blenders and core components note
Potential Uses:
| christmas | FR | |
| herbal | FR |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| allocimene A | |
| (4E,6E)- | alloocimene |
| (E,E)- | alloocimene |
| 4-trans-6-trans- | alloocimene |
| trans,trans- | alloocimene |
| (4E,6E)-2,6- | dimethyl octa-2,4,6-triene |
| (E,E)-2,6- | dimethyl octa-2,4,6-triene |
| (E)-2,(E)-6- | dimethyl octa-2,4,6-triene |
| (4E,6E)-2,6- | dimethyl-2,4,6-octatriene |
| (E,E)-2,6- | dimethyl-2,4,6-octatriene |
| trans,trans-2,6- | dimethyl-2,4,6-octatriene |
| (4E,6E)-2,6- | dimethyl-octa-2,4,6-triene |
| 2,6- | dimethyl-octa-2,4,6-triene, trans |
| (4E,6E)-2,6- | dimethylocta-2,4,6-triene |
| (E,E)-2,6- | dimethylocta-2,4,6-triene |
| (4E,6E)-allo- | ocimene |
| (E,E)-2,6-allo | ocimene |
| (E,E)-2,6-allo- | ocimene |
| (E)-2,(E)-6-allo- | ocimene |
| trans-2,trans-6-allo- | ocimene |
| trans,trans-2,6-allo- | ocimene |
| ocimene, allo | |
| 2,4,6- | octatriene, 2,6-dimethyl-, (4E,6E)- |
| 2,4,6- | octatriene, 2,6-dimethyl-, (E,E)- |