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alpha-methylene citronellal
General Material Information
| Preferred name | alpha-methylene citronellal |
| Trivial Name | 3,7-Dimethyl-2-methylene-6-octenal |
| Short Description | bergamal (IFF) |
| Formula | C11 H18 O |
| CAS Number | 22418-66-2 |
| Deleted CAS Number | 157256-27-4 |
| ECHA Number | 244-981-5 |
| FDA UNII | K0DB1O9KVL |
| Nikkaji Number | J285.506B |
| xLogP3-AA | 3.40 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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: | 2912.19.0000 |
| ChemSpider: | View |
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PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 166.26365661621 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.231 to 7.298 |
| Vapor Pressure | 0.031 mmHg @ 25 °C |
| Flash Point TCC Value | 82.78 °C TCC |
| logP (o/w) | 3.345 |
| Shelf life | 24 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 |
| water, 27.56 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Citrus | |
| petitgrain, bergamot, citrus, fresh, green, woody | |
| Odor strength | medium |
| Substantivity | 6 hour(s) at 100.00 % |
| Luebke, William tgsc, (1988) | At 100.00 %. petitgrain bergamot citrus fresh green woody |
| General comment | Refreshing, aldehydic, lemon, citronella, verbena note with definite bergamot and dry orange moieties |
| Also known as alpha-methylene citronellal, this IFF product is described by them as: “Refreshing, aldehydic, lemon, citronella, verbena note with definite bergamot and dry orange moieties.” Very useful to enhance bergamot and other citrus notes. | Aldehydic, verbena, bergamot |
Potential Uses
| Applications | |
| Odor purposes | Aldehydic , Bergamot , Citrus , Clary sage oil replacer , Green , Lemon , Magnolia , Mandarin , Orange , Orange bitter orange peel , Petitgrain , Verbena , Woody |
| Flavoring purposes | Orange bitter orange peel |
| Other purposes | Dry |
| Cosmetic purposes | Perfuming agents |
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 alpha-methylene citronellal usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for alpha-methylene citronellal 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):22418-66-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :90776 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3,7-dimethyl-2-methylideneoct-6-enal |
| Chemidplus:0022418662 |