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3-methylbutyl (E)-3,7-dimethyl-2,6-octadienoate
Notes:
None found
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 09-24500 ISOAMYL GERANATE
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| CAS Number: | 68133-73-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 268-700-0 | |
| Nikkaji Web: | J65.640B | |
| XlogP3-AA: | 5.10 (est) | |
| Molecular Weight: | 238.37062000 | |
| Formula: | C15 H26 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic 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 clear oily liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 110.00 °C. @ 1.00 mm Hg |
| Vapor Pressure: | 0.000500 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 5.508 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.2633 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| ethyl geranate | |
| methyl cyclogeranate | |
| (E)-methyl geranate | |
Organoleptic Properties:
| Odor Type: floral | |
| rose lemon honey hay | |
| Odor Description: at 100.00 %. | rose lemon honey hay |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| ISOAMYL GERANATE ≥95.0%, Kosher | |
| Odor Description: | A rose. Lemon. honey character A long lasting interesting addition to rose, honey, herbal or lemon fragrances. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Penta International |
| ISOAMYL GERANATE |
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: | |
|
oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 831, 1979. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 831, 1979. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | cosmetic 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 isoamyl geranate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Recommendation for isoamyl geranate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 68133-73-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6435040 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate | |
| Chemidplus: | 0068133733 |
References:
| 3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68133-73-3 |
| Pubchem (cid): | 6435040 |
| Pubchem (sid): | 135010579 |
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 |
| Export Tariff Code: | 2916.19.6000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| citrus | FR | |
| herbal | FR | |
| honey | FR | |
| lemon | FR | |
| rose | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (E)-iso | amyl geranate |
| (E)-3,7- | dimethyl-2,6-octadienoic acid 3-methyl butyl ester |
| (E)-3,7- | dimethyl-2,6-octadienoic acid isopentyl ester |
| 3- | methyl butyl (E)-3,7-dimethyl octa-2,6-dienoate |
| 3- | methyl butyl (E)-3,7-dimethyl-2,6-octadienoate |
| 3- | methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate |
| 3- | methylbutyl (E)-3,7-dimethyl-2,6-octadienoate |
| 3- | methylbutyl (E)-3,7-dimethylocta-2,6-dienoate |
| 2,6- | octadienoic acid 3,7-dimethyl-,3-methylbutyl ester,(2E)- |
| 2,6- | octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)- |
| 2,6- | octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (E)- |
| 2,6- | octadienoic acid, 3,7-dimethyl-, isopentyl ester, (E)- |
| iso | pentyl geranate |