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3,5,6-neocyclocitral
General Material Information
| Preferred name | 3,5,6-neocyclocitral |
| Trivial Name | 3,5,6-Trimethyl-3-cyclohexene-1-carboxaldehyde |
| Short Description | 3-cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl- |
| Formula | C10 H16 O |
| CAS Number | 67634-07-5 |
| ECHA Number | 266-810-3 |
| FDA UNII | 38HRF2I56T |
| Nikkaji Number | J68.879G |
| 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 |
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: | 2912.29.60 |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 152.23672485352 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.139 to 7.181 |
| Refractive Index | 1.431 to 1.436 @ 20 °C |
| Boiling Point | 201 to 202°C @ 760 mm Hg |
| Vapor Pressure | 0.291 mmHg @ 25 °C |
| Flash Point TCC Value | 66.67 °C TCC |
| logP (o/w) | 3.034 est |
| Solubility | |
| alcohol | Yes |
| water, 119.3 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| fresh, green, leafy, clean, herbal, chrysanthemum | |
| Odor strength | medium |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1986) | At 100.00 %. fresh green leafy clean herbal chrysanthemum |
Potential Uses
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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 | |||
| IFRA Critical Effect: | |||
| Dermal sensitization | |||
| View the IFRA 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 3,5,6-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):67634-07-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :106735 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde |
| Chemidplus:0067634075 |