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2,4,6-neocyclocitral
Notes:
None found
| CAS Number: | 1423-46-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 215-833-7 | |
| FDA UNII: | 3RP77Q40LC | |
| Nikkaji Web: | J298.611F | |
| MDL: | MFCD00060875 | |
| XlogP: | 2.80 (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 |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem 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 |
| Boiling Point: | 202.00 to 203.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.291000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 152.00 °F. TCC ( 66.67 °C. ) |
| logP (o/w): | 3.160 (est) |
| Soluble in: | |
| alcohol | |
| water, 119.3 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2,4,6-Trimethyl-3-cyclohexene-1-carboxaldehyde |
Safety Information:
| Preferred SDS: View | |
| 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: | Sensitization | ||
| 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 | |||
| 3.20 % | |||
| 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 | |||
| 0.76 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.76 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.76 % | |||
| Category 6: Products with oral and lip exposure | |||
| 1.80 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 6.10 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 6.10 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.32 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 5.90 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 21.00 % | |||
| Category 10B: Household aerosol/spray products | |||
| 21.00 % | |||
| 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 | |||
| 12.00 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 12.00 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| 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 2,4,6-neocyclocitral 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): | 1423-46-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 101150 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde | |
| Chemidplus: | 0001423467 |
References:
| 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1423-46-7 |
| Pubchem (cid): | 101150 |
| Pubchem (sid): | 135058021 |
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 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2,4,6-neo | cyclocitral |
| 3- | cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl |
| 3- | cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl- |
| 3- | cyclohexene-1-carboxaldehyde,4,6-trimethyl |
| 3- | cyclohexene-1-carboxaldehyde,4,6-trimethyl- |
| 2,4,6- | trimethyl cyclohex-3-ene carboxaldehyde |
| 2,4,6- | trimethyl-3-cyclohexene carbaldehyde |
| 2,4,6- | trimethyl-3-cyclohexene-1-carboxaldehyde |
| 2,6- | trimethyl-3-cyclohexene-1-carboxaldehyde |
| 2,4,6- | trimethyl-4-cyclohexene-1-carboxaldehyde |
| 2,6- | trimethyl-4-cyclohexene-1-carboxaldehyde |
| 2,4,6- | trimethylcyclohex-3-ene-1-carbaldehyde |
| 2,4,6- | trimethylcyclohex-3-enecarbaldehyde |
| 2,4,6- | trimethylcyclohex-3-enecarboxaldehyde |