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(Z)-3,7-dimethyl-3,6-octadienal
Notes:
Flavouring compound [Flavornet]
| CAS Number: | 72203-97-5 |  3D/inchi
|
| XlogP3-AA: | 2.90 (est) | |
| Molecular Weight: | 152.23672000 | |
| Formula: | C10 H16 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 |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| logP (o/w): | 3.440 |
| Soluble in: | |
| alcohol | |
| water, 84.71 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: green | |
| Odor Strength: | medium |
| green | |
| Odor Description: at 100.00 %. | green |
| 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 | |||
| IFRA Critical Effect: | Dermal sensitization and systemic toxicity | ||
| IFRA: | View Standard | ||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 0.54 % | |||
| Category 2: Products applied to the axillae | |||
| 0.16 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.030 % | |||
| Category 4: Products related to fine fragrance | |||
| 3.00 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 0.76 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.12 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.030 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.010 % | |||
| Category 6: Products with oral and lip exposure | |||
| 1.30 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.12 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.12 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.010 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.79 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.79 % | |||
| Category 10B: Household aerosol/spray products | |||
| 4.20 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 0.010 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.010 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| 53.00 % | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Recommendation for (Z)-isocitral flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| National Institute of Allergy and Infectious Diseases: | Data |
| (3Z)-3,7-dimethylocta-3,6-dienal |
References:
| (3Z)-3,7-dimethylocta-3,6-dienal | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cas): | 72203-97-5 |
| Flavornet: | 72203-97-5 |
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 |
| FooDB: | FDB029693 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| backhousia citriodora f. muell. leaf oil @ 1.20% Data GC Search Trop Picture |
Synonyms:
| cis-iso | citral |
| (Z)-3,7- | dimethyl-3,6-octadienal |
| (3Z)-3,7- | dimethylocta-3,6-dienal |
| iso | neral |