Articles:
| US Patents: | Trans,trans-.DELTA.-damascone, mixtures containing major proportions of same, processes for preparing same and organoleptic uses thereof |
(E)-delta-damascone
Notes:
Food flavouring and perfumery ingredient
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| Fragrance Demo Formulas | ||
| CAS Number: | 71048-82-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 275-156-8 | |
| Nikkaji Web: | J65.767K | |
| Beilstein Number: | 1939321 | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 192.30160000 | |
| Formula: | C13 H20 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic and 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 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.92600 to 0.93400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.705 to 7.772 |
| Specific Gravity: | 0.92700 to 0.93500 @ 20.00 °C. |
| Pounds per Gallon - est.: | 7.723 to 7.789 |
| Refractive Index: | 1.48900 to 1.49400 @ 20.00 °C. |
| Boiling Point: | 263.00 to 264.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.010000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 218.00 °F. TCC ( 103.33 °C. ) |
| logP (o/w): | 3.832 (est) |
| Soluble in: | |
| alcohol | |
| water, 13.3 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
| Substantivity: | 220 hour(s) at 100.00 % |
| fruity sweet rose natural petal currant bud black currant bud | |
| Odor Description: at 1.00 % in dipropylene glycol. | fruity sweet rose natural petal cassis black currant Luebke, William tgsc, (1995) |
| Flavor Type: woody | |
| woody astringent berry spicy | |
| Taste Description: | woody astringent berry spice |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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: | cosmetic and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Critical Effect: | Dermal 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 | |||
| 0.0077 % | |||
| Category 2: Products applied to the axillae | |||
| 0.0023 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.046 % | |||
| Category 4: Products related to fine fragrance | |||
| 0.043 % | |||
| 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 | |||
| 0.011 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.011 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 0.011 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 0.011 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.025 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.088 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.088 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.0045 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 0.084 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 0.30 % | |||
| Category 10B: Household aerosol/spray products | |||
| 0.30 % | |||
| 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 | |||
| 0.17 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.17 % | |||
| 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. | |||
| use level in formulae for use in cosmetics: | |||
| 0.0940 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0024 mg/kg/day (IFRA, 2002) | |||
| Recommendation for cassis buteneone 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): | 71048-82-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5365916 |
| National Institute of Allergy and Infectious Diseases: | Data |
| SCCNFP: | opinion |
| WGK Germany: | 2 |
| (E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)but-2-en-1-one | |
| Chemidplus: | 0071048823 |
References:
| (E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)but-2-en-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 71048-82-3 |
| Pubchem (cid): | 5365916 |
| Pubchem (sid): | 135002562 |
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): | HMDB35682 |
| FooDB: | FDB014463 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| acacia | FR | |
| animal | FR | |
| currant bud absolute replacer | FL/FR | |
| floral | FR | |
| oriental | FR | |
| rose | FR | |
| tobacco | FR | |
| tuberose | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2- | buten-1-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, (2E)- |
| cassis buteneone | |
| (E)-8- | damascone |
| (E)-delta- | damascone |
| dihydrofloriffone TD | |
| (E,E)-delta- | rose ketone-3 |
| trans,trans-delta- | rose ketone-3 |
| (1alpha(E),2beta)-1-(2,6,6- | trimethyl cyclohex-3-en-1-yl) but-2-en-1-one |
| (E)-1-(2,6,6- | trimethyl-1-cyclohex-3-enyl)but-2-en-1-one |
| trans-1-(2,6,6- | trimethyl-1-cyclohex-3-enyl)but-2-en-1-one |
| (2E)-1-(2,6,6- | trimethyl-3-cyclohexen-1-yl)-2-buten-1-one |
| (E)-1-(2,6,6- | trimethyl-3-cyclohexen-1-yl)-2-buten-1-one |
| (E)-1-(2b,6,6- | trimethyl-3-cyclohexen-1a-yl)-2-butene-1-one |
| (E)-1-(2beta,6,6- | trimethyl-3-cyclohexen-1alpha-yl)-2-butene-1-one |
| (2E)-1-(2,6,6- | trimethylcyclohex-3-en-1-yl)but-2-en-1-one |