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3-(3-propen-2-yl phenyl) butanal
General Material Information
| Preferred name | 3-(3-propen-2-yl phenyl) butanal |
| Trivial Name | β-Methyl-3-(1-methylethenyl)benzenepropanal |
| Short Description | butanal, 3-(3-(1-methylethenyl)phenyl)- |
| Formula | C13 H16 O |
| CAS Number | 125109-84-4 |
| FDA UNII | Search |
| Nikkaji Number | J1.563.104J |
| xLogP3-AA | 3.30 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 3-[3-(prop-1-en-2-yl)phenyl]butanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 86208 |
| Pubchem (sid): | 135043919 |
| Publications by US Patents | |
| 4,910,346 - 3-(3-propan-2-ylphenyl)butanal and 3-(3-propen-2-ylphenyl)butanal | |
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 |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 188.26971435547 |
| Vapor Pressure | 0.005 mmHg @ 25 °C |
| Flash Point TCC Value | 125.9 °C TCC |
| logP (o/w) | 3.197 est |
| Solubility | |
| water, 23.42 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Fresh | |
| ozone, cortex, green, floral, melon | |
| General comment | At 10.00 % in dipropylene glycol. ozone, stemmy-green floral, melon |
Safety Information
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 | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 3-(3-propen-2-yl phenyl) butanal 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):125109-84-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :86208 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-[3-(prop-1-en-2-yl)phenyl]butanal |
| Chemidplus:0125109844 |