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(Z)-isopropyl methyl hexenyl acetate
Notes:
None found
| CAS Number: | 40853-56-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 255-114-5 | |
| Nikkaji Web: | J33.463D | |
| Beilstein Number: | 1770843 | |
| XlogP3-AA: | 3.60 (est) | |
| Molecular Weight: | 198.30574000 | |
| Formula: | C12 H22 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: 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 pale yellow clear liquid (est) |
| Assay: | 90.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.84600 @ 25.00 °C. |
| Boiling Point: | 244.00 to 245.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.029000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 185.00 °F. TCC ( 85.00 °C. ) |
| logP (o/w): | 4.253 (est) |
| Soluble in: | |
| alcohol | |
| water, 6.57 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: herbal | |
| Odor Strength: | medium |
| Substantivity: | 16 hour(s) at 100.00 % |
| fresh herbal minty woody | |
| Odor Description: at 100.00 %. | fresh herbal mint woody Luebke, William tgsc, (1988) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| None found |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing. | |
| 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: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (Z)-isodihydrolavandulyl acetate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Recommendation for (Z)-isodihydrolavandulyl acetate 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 : | 6434276 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate | |
| Chemidplus: | 0040853563 |
References:
| [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 40853-56-3 |
| Pubchem (cid): | 6434276 |
| Pubchem (sid): | 135000975 |
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: | 2915.39.9050 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| balsam | FR | |
| herbal | FR | |
| lavandin | FR | |
| lavender | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| acetic acid (Z)-2-isopropyl-5-methyl-2-hexen-1-yl ester | |
| acetic acid, 2-isopropyl-5-methyl-2-hexen-1-yl ester | |
| iso | dihydro lavandulyl acetate |
| (Z)-iso | dihydrolavandulyl acetate |
| 2- | hexen-1-ol, 2-isopropyl-5-methyl-, acetate |
| 2- | hexen-1-ol, 5-methyl-2-(1-methylethyl)-, acetate |
| (Z)-5- | methyl-2-(1-methyl ethyl)-2-hexen-1-yl acetate |
| 5- | methyl-2-(1-methylethyl)-2-hexen-1-yl acetate |
| ((Z)-5- | methyl-2-propan-2-yl hex-2-enyl) acetate |
| [(Z)-5- | methyl-2-propan-2-ylhex-2-enyl] acetate |
| (Z)-iso | propyl methyl hexenyl acetate |
| (Z)-2-iso | propyl-5-methyl hex-2-enyl acetate |
| 2-iso | propyl-5-methyl-2-hexen-1-yl acetate |
| (Z)-2-iso | propyl-5-methyl-2-hexene-1-yl acetate |
| 2-iso | propyl-5-methyl-2-hexene-1-yl acetate |
| 2-iso | propyl-5-methylhex-2-enyl acetate |