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lily pentanal
General Material Information
| Preferred name | lily pentanal |
| Trivial Name | 3-Methyl-5-phenyl-1-pentanal |
| Short Description | mefranal (Givaudan) |
| Formula | C12 H16 O |
| CAS Number | 55066-49-4 |
| FDA UNII | 00RZ3F0O1X |
| Nikkaji Number | J1.574.283F |
| xLogP3-AA | 3.00 (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
| Leffingwell: | Chirality or Article |
| 3-methyl-5-phenylpentanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 55066-49-4 |
| Pubchem (cid): | 108313 |
| Pubchem (sid): | 135065527 |
| Publications by US Patents | |
| 8,168,163 - [(4E, 4Z)-5-methoxy-3-methyl-4-pentenyl]-benzene and its use in perfume compositions | |
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 |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 176.25871276855 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.988 to 8.03 |
| Refractive Index | 1.505 to 1.507 @ 20 °C |
| Boiling Point | 121 to 123°C @ 14 mm Hg |
| Vapor Pressure | 0.005 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.238 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 67.2 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Aldehydic | |
| aldehydic, lily, green, fresh, waxy, woody | |
| Odor strength | medium |
| Substantivity | 184 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 100.00 %. aldehydic lily green fresh waxy woody |
| Mefranal has a refreshing lemon geranium note with an aldehydic floral heart. | Citrus, Aldehydic, Geranium |
| General comment | CITRUS, ALDEHYDIC, FLORAL, GREEN |
Potential Uses
| Applications | |
| Odor purposes | Animal , Apple blossom , Floral , Green , Lily , Lily of the valley , Musk , Rose , Woody |
| Other purposes | Clean , Waxy |
| Cosmetic purposes | Fragrance , Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xn N - Harmful, Dangerous for the environment. | |
| R 22 - Harmful if swallowed. R 38 - Irritating to skin. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |   |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed H315 - Causes skin irritation H317 - May cause an allergic skin reaction H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P272 - Contaminated work clothing should not be allowed out of the workplace. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P330 - Rinse mouth. P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P391 - Collect spillage. Hazardous to the aquatic environment P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| 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 lily pentanal usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Recommendation for lily pentanal 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):55066-49-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :108313 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3082 |
| WGK Germany:3 |
| 3-methyl-5-phenylpentanal |
| Chemidplus:0055066494 |