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patchouli ethanone
General Material Information
| Preferred name | patchouli ethanone |
| Trivial Name | Iso-E Super |
| Short Description | iso e super (IFF) |
| Formula | C16 H26 O |
| CAS Number | 54464-57-2 |
| Deleted CAS Number | 166090-45-5 |
| ECHA Number | 259-174-3 |
| FDA UNII | 1GD7ODM28Y |
| Nikkaji Number | J266.894G |
| xLogP3-AA | 3.60 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 54464-57-2 |
| Pubchem (cid): | 108242 |
| Pubchem (sid): | 135066727 |
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 |
| Export Tariff Code: | 2914.29.5000 |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 234.38241577148 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.988 to 8.055 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.006 to 8.072 |
| Refractive Index | 1.497 to 1.502 @ 20 °C |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 111.11 °C TCC |
| logP (o/w) | 5.65 |
| 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. store under nitrogen. |
| Solubility | |
| alcohol | Yes |
| water, 1.077 mg/L @ 25 °C (est) | Yes |
| Stability | |
| acid cleaner | Unspecified |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| bleach | Unspecified |
| deo stick | Unspecified |
| detergent | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Woody | |
| woody, dry, ambergris, cedar, woody old wood, ketonic, phenolic | |
| Odor strength | medium |
| Substantivity | 172 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 100.00 %. woody dry ambergris cedar old wood ketonic phenolic |
| Smooth, woody, amber with unique aspects giving a ''velvet'' like sensation. Used to impart fullness and subtle strength to fragrances. Superb floralizer found in the majority of newer fine fragrances and also useful in soaps. Richer in the desirable gamma isomer than isocyclemone. RECOMMENDED USES: Fine fragrance, personal care, fabric care, home care. | Woody, Floral, Ambergris |
| Widely used in all types of fragrances like fresh-fruity, floral to woody amber. Gives body and velvety richness. | Woody, Ambergris, Floral, Violet |
| Recommended Uses: Fine fragrance, personal care, fabric care, home care. | Smooth, warm, woody, amber note. Powerful yet silky soft. Used to impart fullness and subtle strength to fragrances |
| Blends-well-with - +Methyl-ionone Musks Kephalis | Woody amber note velvety slightly-vetiver earthy |
| General comment | Amber/ Ambery, Ambergris, Floral, Woody |
| Besides supplying its own odour, it aids diffusion and gives body and a thickening, velvety quality to a fragrance. Used in simple blends it can help almost any material to smell more like itself’ enhancing the odour quality. This has led to a widespread belief that it has pheromone effects, though this is not supported by research evidence. Can be used in relatively high proportions and may constitute as much as 20% of the finished product in some cases. Iso E Super is one of a range of materials with similar properties, the weakest being Isocyclemone E (which we don’t sell) with higher impact forms available as Timbersilk (from IFF) and Sylvamber (from DRT), both of which are available from Pell Wall. | Velvety, woody, dry, ambergris, old-wood, lemony |
| Sylvamber is another material in the Isocyclemone E, Iso E Super, Timbersilk family of products although produced by a different manufacturer. Sylvamber has the highest proportion of the gamma isomer of this type of product on the market, typically 22% (compared to around 8% in Iso E Super, just under 15% in Timbersilk, and around 18% in the IFF captive called Iso Gamma Super). This results in a superbly diffusive, high-impact product with more of the amber and less of the woody character associated with Iso E Super and a cleaner odour profile than Timbersilk. It is an almost water-white liquid, noticeably less yellow than Iso E Super and slightly less than Timbersilk. Usually used alongside a lower imact product from the same family as a booster but can also be used alone to lend an exceptionally diffusive and full character to almost any kind of fragrance. Very rarely offered in amounts under 20Kg. | Velvety, ambergris, woody, dry, old-wood, lemony |
| Description from IFF: “Smooth and spacious natural woody note with refined cedar and amber facets. Timbersilk™ is an excellent foundation for producing strength, volume and tenacity for the majority of end use applications.” The current batch has just under 15% of the gamma isomer (compared with a typical 8% in generic Iso E Super). One of a range of materials with similar properties, the weakest being Isocyclemone E (which we don’t sell) with a lower impact form available as Iso E Super (from IFF) and a higher impact form as Sylvamber (from DRT), both of which are available from Pell Wall. | Amber, velvety, woody, dry |
Potential Uses
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
| R 36/38 - Irritating to skin and eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 Acute aquatic toxicity (Category 2), H401 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |   |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H317 - May cause an allergic skin reaction H401 - Toxic to aquatic life H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P272 - Contaminated work clothing should not be allowed out of the workplace. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P391 - Collect spillage. Hazardous to the aquatic environment P501 - Dispose of contents/container in accordance with local/regional/national/international regulations. | |
| Human Experience: | |
| 23% solution: no skin irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Dispose of contents/container in accordance with local/regional/national/international regulations. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Dispose of contents/container in accordance with local/regional/national/international regulations. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| cosmetic 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: | |||
| 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 | |||
| 0.41 % | |||
| Category 2: Products applied to the axillae | |||
| 1.10 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 0.41 % | |||
| Category 4: Products related to fine fragrance | |||
| 20.00 % | |||
| 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 | |||
| 5.10 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 0.56 % | |||
| 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 | |||
| 0.19 % | |||
| Category 6: Products with oral and lip exposure | |||
| 0.0093 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 0.67 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 0.67 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 0.19 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 2.40 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 2.40 % | |||
| Category 10B: Household aerosol/spray products | |||
| 6.60 % | |||
| 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 | |||
| 0.19 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 0.19 % | |||
| 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 patchouli ethanone 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):54464-57-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :108242 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3082 |
| WGK Germany:2 |
| 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone |
| Chemidplus:0054464572 |