Articles:
| None found yet. |
benzenepropanal, 4-(1,1-dimethylethyl)-a-methyl-, (aS)-
Notes:
None found
| CAS Number: | 75166-30-2 |  3D/inchi
|
| FDA UNII: | WP1PPC4R9G | |
| Nikkaji Web: | J3.054.748I | |
| XlogP3-AA: | 3.90 (est) | |
| Molecular Weight: | 204.31260000 | |
| Formula: | C14 H20 O | |
| 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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 277.70 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 250.00 °F. TCC ( 120.90 °C. ) (est) |
| logP (o/w): | 4.070 (est) |
| Soluble in: | |
| alcohol | |
| water, 7.859 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium |
| lily of the valley | |
| Odor Description: at 100.00 %. | lily of the valley |
| 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: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (S)-(+)-lilyall flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 1715213 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (2S)-3-(4-tert-butylphenyl)-2-methylpropanal | |
| Chemidplus: | 0075166302 |
References:
| Leffingwell: | Chirality or Article |
| (2S)-3-(4-tert-butylphenyl)-2-methylpropanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 1715213 |
| Pubchem (sid): | 163640802 |
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 |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzenepropanal, 4-(1,1-dimethylethyl)-a-methyl-, (aS)- | |
| butylphenyl methylpropional, (+)- | |
| (2S)-3-(4-tert- | butylphenyl)-2-methylpropanal |
| (S)-(+)- | lilial |
| (2S)-2- | methyl-3-[4-(2-methyl-2-propanyl)phenyl]propanal |