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para-anisyl propanal
General Material Information
| Preferred name | para-anisyl propanal |
| Trivial Name | Canthoxal |
| Short Description | canthoxal (IFF) |
| Formula | C11 H14 O2 |
| CAS Number | 5462-06-6 |
| ECHA Number | 226-749-5 |
| FDA UNII | L7QWJ4USPC |
| Nikkaji Number | J58.401K |
| Beilstein Number | 2443561 |
| xLogP3-AA | 2.20 (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: | 2912.49.0000 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 178.23098754883 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.637 to 8.704 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.656 to 8.722 |
| Refractive Index | 1.517 to 1.522 @ 20 °C |
| Boiling Point | 261 to 262°C @ 760 mm Hg |
| Acid Value | 5 max KOH/g |
| Vapor Pressure | 0.01 mmHg @ 25 °C |
| Flash Point TCC Value | 93.89 °C TCC |
| logP (o/w) | 2.5 |
| 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, 386.9 mg/L @ 25 °C (est) | Yes |
| Stability | |
| acid cleaner | Unspecified |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Anisic | |
| sweet, anise, basil, fennel, raspberry, green | |
| Odor strength | medium |
| Substantivity | 48 hour(s) at 100.00 % |
| Luebke, William tgsc, (1986) | At 100.00 %. sweet aniseed basil fennel raspberry green |
| General comment | Licorice, basil, fennel, anise notes with a slight fruity, watery modification |
Potential Uses
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 37 - Wear suitable gloves. | |
| 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: | |
| oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 377, 1988. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 377, 1988. | |
| 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 and systemic toxicity | |||
| 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 | |||
| 0.034 % | |||
| Category 2: Products applied to the axillae | |||
| 0.11 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.011 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.82 % | |||
| 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 | |||
| 0.12 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.017 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.020 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.0056 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.0028 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.023 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.023 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.0056 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.054 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.054 % | |||
| Category 10B: Household aerosol/spray products | |||
| 0.12 % | |||
| 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 | |||
| 0.0056 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.0056 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| 4.50 % | |||
| 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 para-anisyl propanal 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):5462-06-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :64813 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-(4-methoxyphenyl)-2-methylpropanal |
| Chemidplus:0005462066 |