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patchouli ethanone
Patchouli ethanone, or Iso-E Super, is a synthetic aroma chemical with a smooth, woody amber fragrance widely used in perfumery and cosmetic products.
General Material Description
Patchouli ethanone, also known by its trade name Iso-E Super, is a synthetic fragrance compound characterized by its smooth, woody, ambergris-like scent. It belongs to a category of aroma chemicals commonly used in perfumery to impart rich, velvety amber and woody notes. The molecular formula of patchouli ethanone is C16H26O, and it is known by numerous synonyms, including 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone and OTNE. This compound is typically obtained through synthetic routes and is widely used as a core ingredient in fine fragrances, personal care products, and fabric care due to its distinctive olfactory qualities. More detailed chemical information can be found via the PubChem database.
Occurrence, Applicability & Potential Uses
Patchouli ethanone is a synthetic aroma chemical and does not naturally occur in biological systems. Its application primarily lies in the fragrance industry where it serves as a key ingredient in a broad range of products including fine perfumes, personal care items, and household fabric care. The compound contributes a smooth, woody amber note with excellent diffusion and tenacity. It also enhances other fragrance ingredients by providing fullness and a characteristic velvety sensation. According to IFRA (Global) standards, patchouli ethanone is regulated to ensure safe use in formulations. Its olfactory profile encompasses notes reminiscent of ambergris, cedarwood, and old wood, making it valuable in compositions spanning fresh-fruity to woody-amber accords.
Physico-Chemical Properties Summary
Patchouli ethanone is a liquid at room temperature with a molecular weight of approximately 234.38 g/mol. It exhibits a specific gravity range of 0.96 to 0.969 at 20 to 25 °C and a refractive index between 1.497 and 1.502 at 20 °C. The compound has a high logP value around 5.65, indicating significant lipophilicity. It is soluble in alcohol and slightly soluble in water with an estimated solubility of 1.077 mg/L at 25 °C. Patchouli ethanone has a flash point of approximately 111 °C (232 °F), requiring storage in a cool, dry place away from heat and light, preferably under nitrogen. Vapor pressure is very low at about 0.001 mmHg at 25 °C, contributing to its persistence in fragrance formulations. These properties facilitate its use in concentrated perfume oils where long-lasting olfactory effects are desired.
FAQ
What is patchouli ethanone and what are its key characteristics?
Patchouli ethanone, commonly known as Iso-E Super, is a synthetic fragrance ingredient notable for its smooth, woody, and ambergris-like odor. It provides a velvety amber note with excellent substantivity lasting over a week in formulations at full concentration. The compound enhances fragrance compositions by adding body and diffusion, making scents richer and more complex. Chemically, it has the formula C16H26O and appears as a clear or slightly yellow liquid.
How is patchouli ethanone used and where is it commonly applied?
Patchouli ethanone is widely used in the fragrance industry for fine perfumes, personal care products, and fabric care formulations. Its woody and ambergris odor profile fits diverse scent categories from fresh-fruity to woody amber compositions. The material serves both as a prominent fragrance note and as a fixative to improve scent longevity. It can be included in relatively high proportions, up to 20% in finished fragrances according to IFRA (Global) standards, depending on product type. It is also stable in various cosmetic product forms such as soaps, shampoos, and lotions.
What safety regulations and sourcing information apply to patchouli ethanone?
Patchouli ethanone is regulated by the IFRA (Global) Code of Practice, which sets use level limits in different product categories to mitigate dermal sensitization and systemic toxicity risks. For example, the maximum allowable concentration in fine fragrance applications is up to 20%, whereas products with significant oral exposure have much lower limits. Safety data indicates it can cause skin irritation and allergic reactions in some cases and is considered toxic to aquatic life with long-term effects. Proper storage in sealed containers protected from heat and light is recommended. The compound is synthesized industrially and supplied by fragrance ingredient manufacturers such as International Flavors & Fragrances (IFF).
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 |
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 |
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 |
|
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 |