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2,3-(E)-2,3-dimethyl-2-butenoic acid 3,7-dimethyl-2,6-octadienyl ester
Notes:
None found
| CAS Number: | 10402-48-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 233-870-7 | |
| Nikkaji Web: | J236.810B | |
| XlogP3-AA: | 5.30 (est) | |
| Molecular Weight: | 250.38162000 | |
| Formula: | C16 H26 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: information only not used for fragrances or flavors
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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 335.00 to 336.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000103 mmHg @ 25.00 °C. (est) |
| Flash Point: | 326.00 °F. TCC ( 163.33 °C. ) |
| logP (o/w): | 5.308 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.09117 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl tiglate | |
| amyl tiglate | |
| isoamyl tiglate | |
| benzyl methyl tiglate | |
| benzyl tiglate | |
| butyl tiglate | |
| isobutyl tiglate | |
| cinnamyl tiglate | |
| (E)-citronellyl tiglate | |
| (E)-ethyl tiglate | |
| geranyl tiglate | |
| (Z)-3-hexen-1-yl tiglate | |
| hexyl tiglate | |
| methyl tiglate | |
| 3-octyl tiglate | |
| phenethyl tiglate | |
| propyl tiglate | |
| isopropyl tiglate | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity: | 48 hour(s) at 100.00 % |
| sweet fruity tropical rose herbal rummy | |
| Odor Description: at 10.00 % in dipropylene glycol. | sweet fruity tropical rose herbal rum Luebke, William tgsc, (1988) |
| Flavor Type: fruity | |
| fruity | |
| Taste Description: | fruity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | information only not used for fragrances or flavors | ||
| Recommendation for geranyl methyl tiglate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for geranyl methyl tiglate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6436369 |
| National Institute of Allergy and Infectious Diseases: | Data |
| [(2E)-3,7-dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate | |
| Chemidplus: | 0010402489 |
References:
| [(2E)-3,7-dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 10402-48-9 |
| Pubchem (cid): | 6436369 |
| Pubchem (sid): | 135041832 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| herbal | FR | |
| rose | FR | |
| rum | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2- | butenoic acid, 2,3-dimethyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)- |
| 3,7-((2E)-3,7- | dimethyl octa-2,6-dienyl) 2,3-dimethyl but-2-enoate |
| 2,3-(E)-2,3- | dimethyl-2-butenoic acid 3,7-dimethyl-2,6-octadienyl ester |
| 3,7- | dimethyl-2,6-octadienyl 2,3-dimethyl crotonate |
| [(2E)-3,7- | dimethylocta-2,6-dienyl] 2,3-dimethylbut-2-enoate |
| (E)- | geranyl methyl tiglate |
| (E)- | neryl methyl tiglate |