| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 5392-40-5 |
| ECHA EC Number: | 226-394-6 |
| FDA UNII: | Search |
| CoE Number: | 109 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | litsea cubeba oil terpeneless |
| InChI : | InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3 |
| Std.InChI: | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3 |
| InChIKey : | WTEVQBCEXWBHNA-UHFFFAOYAM |
| Std.InChIKey: | WTEVQBCEXWBHNA-UHFFFAOYSA-N |
| SMILES : | CC(=CCCC(=CC=O)C)C |
| MDL: | MFCD00006997 |
| Molar Refractivity : | 48.36 ± 0.3 cm3 (est) |
| Parachor : | 405.6 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.456 ± 0.02 (est) |
| Surface Tension : | 27.1 ± 3.0 dyne/cm (est) |
| Density : | 0.856 ± 0.06 g/cm3 (est) |
| Polarizability : | 19.17 ± 0.5 10-24cm3 (est) |
| 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 |
| JECFA Food Flavoring: | 1225 natural citral |
| DG SANTE Food Flavourings: | 05.020 natural citral |
| FEMA Number: | 2303 natural citral |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 5392-40-5 ; CITRAL |
| FDA Regulation: | |
| FDA PART 182 -- SUBSTANCES GENERALLY RECOGNIZED AS SAFE Subpart A--General Provisions Sec. 182.60 Synthetic flavoring substances and adjuvants. | |
| Appearance: | pale yellow clear liquid (est) |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88500 to 0.89100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.364 to 7.414 |
| Refractive Index: | 1.48600 to 1.49000 @ 20.00 °C. |
| Boiling Point: | 227.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.091000 mmHg @ 25.00 °C. |
| Flash Point: | 195.00 °F. TCC ( 90.56 °C. ) |
| logP (o/w): | 3.127 (est) |
| Soluble in: | |
| alcohol | |
| water, 1340 mg/L @ 37 °C (exp) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | flavoring agents perfuming agents |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. S 24 - Avoid contact with skin. S 25 - Avoid contact with eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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: | |
| intraperitoneal-rat LD50 460 mg/kg Journal of Reproduction and Fertility. Vol. 55, Pg. 347, 1979. oral-mouse LD50 6000 mg/kg Biochemical Journal. Vol. 34, Pg. 1196, 1940. oral-rat LD50 4960 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 2250 mg/kg Food and Chemical Toxicology. Vol. 25, Pg. 505, 1987. | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and 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: | |||
| Sensitization | |||
| contains the following IFRA (Annex) restricted components: (non-analysis max. level reference only) | |||
| citral | Max. Found: <96.00 % and Reason: Sensitization | ||
| 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 | |||
| 0.04 % | |||
| Category 2: Products applied to the axillae | |||
| 0.05 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.20 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.60 % | |||
| 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 | |||
| 0.30 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| Category 6: Products with oral and lip exposure | |||
| 1.00 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.10 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| Category 8: Products with significant anogenital exposure | |||
| 1.40 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 5.00 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 2.50 % | |||
| Category 10B: Household aerosol/spray products | |||
| 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 | |||
| See Note % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| 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. | |||
(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). | |||
(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product. | |||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 133.00000 | 178.00000 | |
| beverages(nonalcoholic): | 17.00000 | 28.00000 | |
| beverages(alcoholic): | 3.00000 | 6.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | 0.20000 | |
| chewing gum: | 7000.00000 | 10000.00000 | |
| condiments / relishes: | 10.00000 | 10.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 22.00000 | 34.00000 | |
| fruit ices: | - | 23.00000 | |
| gelatins / puddings: | 174.00000 | 210.00000 | |
| granulated sugar: | - | - | |
| gravies: | 0.50000 | 0.80000 | |
| hard candy: | 950.00000 | 1000.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 1.00000 | 2.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 142.00000 | 181.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Carcinogenic Potency Database:Search |
| EPA Substance Registry Services (TSCA):5392-40-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| National Institute of Allergy and Infectious Diseases:Data |
| SCCNFP:opinion |
| WGK Germany:1 |
| 3,7-dimethylocta-2,6-dienal |
| Chemidplus:0005392405 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:RG5075000 for cas# 5392-40-5 |
| 3,7-dimethylocta-2,6-dienal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5392-40-5 |
| Pubchem (cid): | 8843 |
| Pubchem (sid): | 134984224 |
| Flavornet: | 5392-40-5 |
| Pherobase: | View |
| (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 |
| CHEBI: | View |
| CHEMBL: | View |
| UM BBD: | Search |
| HMDB (The Human Metabolome Database): | HMDB35092 |
| Export Tariff Code: | 3301.29.6000 |
| ChemSpider: | View |
| Wikipedia: | View |
| natural product |
| natural | citral |
| citral from litsea cubeba | |
| litsea cubeba fruit oil terpeneless | |
| litsea cubeba oil terpeneless | |
| oil litsea cubeba terpeneless 95% | |
| oil litsea cubeba terpeneless extra |
