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watermelon ketone
General Material Information
| Preferred name | watermelon ketone |
| Trivial Name | 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one |
| Short Description | 8-methyl-1,5-benzodioxepin-3-one |
| Formula | C10 H10 O3 |
| CAS Number | 28940-11-6 |
| Deleted CAS Number | 35783-05-2 |
| ECHA Number | 249-320-4 |
| FDA UNII | 0NQ136C313 |
| Nikkaji Number | J286.485A |
| MDL | MFCD07371373 |
| xLogP3-AA | 1.90 (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
| 8-methyl-1,5-benzodioxepin-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 28940-11-6 |
| Pubchem (cid): | 120101 |
| Pubchem (sid): | 135077863 |
| Publications by PubMed | |
| Marine fragrance chemistry. | |
| Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction. | |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2934.90.0000 |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 178.18730163574 |
| Melting Point | 38 to 41°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 166.67 °C TCC |
| logP (o/w) | 2.43 |
| Shelf life | 36 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, slightly soluble in hot water | Yes |
| water, 471.5 mg/L @ 25 °C (est) | Yes |
| paraffin oil | No |
| Stability | |
| APC: traces - 0.5% | Unspecified |
| candle: traces - 0.5% | Unspecified |
| detergent: traces - 0.5% | Unspecified |
| fine fragrances: traces - 0.5% | Unspecified |
| shampoo: traces - 0.5% | Unspecified |
| shower gel: traces - 0.5% | Unspecified |
| soap: traces - 0.5% | Unspecified |
| softener: traces - 0.5% | Unspecified |
Organoleptic Properties
| Odor Type: Melon | |
| fresh, watery, clean, melon, green, marine, ozone, phenolic | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | > 600 hour(s) at 10.00 % in dipropylene glycol |
| Luebke, William tgsc, (1986) | At 10.00 % in dipropylene glycol. fresh watery clean melon green marine ozone phenolic |
| The ingredient is very trendy and has been widely used since the 1990’s. The ingredient is the basis of several perfumes. | This unusual odorant has intense ozone and marine notes with floral overtones |
| General comment | Marine moss ozone floral heliotrope melon green fresh |
| The classic fresh, watery, marine note used in many modern compositions, here in an easier to use liquid form originally made available by Firmenich it’s at 50% in DME (carbitol) but the material for sale here is a generic equivalent. | Fresh, watery, clean, melon-green, marine, ozone |
Potential Uses
| Applications | |
| Odor purposes | Agrumen aldehyde , Aldehydic , Algae , Apple red apple , Boxwood , Bramble arctic bramble blackberry , Cilantro , Citrus , Cologne , Cucumber , Dogwood , Fern , Floral , Florida breeze , Forest , Fresh outdoors , Galbanum , Gooseberry , Grapefruit , Green , Herbal , Hibiscus , Honeydew , Kiwi , Kiwi blossom , Lemon , Lily of the valley , Mango , Mango flower , Melon , New car , Ocean sea , Ocean sea shell , Sea breeze , Peach , Sea breeze , Spring rain , Woody |
| Flavoring purposes | Cilantro , Fish , Fruit tropical fruit , Pear prickly pear , Tropical , Vegetable |
| Other purposes | Blossom tropical blossom , Clean , Exotic , Fantasy blends , Montana , Ozone , Rose wild rose , Watery |
| Cosmetic purposes | Fragrance , Perfuming agents |
Safety Information
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 37/39 - Wear suitable gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 1556 mg/kg Dispose of contents/ container to an approved waste disposal plant. | |
| 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 watermelon ketone usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Recommendation for watermelon ketone 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):28940-11-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :120101 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 8-methyl-1,5-benzodioxepin-3-one |
| Chemidplus:0028940116 |