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2-decalinyl acetate
2-decalinyl acetate is a fragrance compound with a medium woody-fruity odor, used primarily as a perfuming agent in fragrances.
General Material Description
2-decalinyl acetate, also known by its IUPAC name decahydro-2-naphthyl acetate, is an ester compound with molecular formula C12H20O2. It appears as a colorless liquid notable for its medium-strength woody odor combined with fruity, floral, and herbal nuances. This compound is referenced under several synonyms including decahydro-beta-naphthyl acetate and 2-naphthalenol, decahydro-, acetate. Its chemical structure is characterized by a decalin backbone esterified with an acetate group. Commercially, it is obtained through synthetic processes and applied chiefly in the fragrance industry. For authoritative chemical data, it is indexed in PubChem under CID 25324, facilitating further research and regulatory compliance tracking.
Occurrence, Applicability & Potential Uses
Though not naturally occurring, 2-decalinyl acetate is synthesised for use primarily as a fragrance ingredient in perfumery. It provides a woody and fruity character, adding depth and complexity to various scent blends. Its odor profile makes it suitable for formulations evoking balsam, bark, herbal, and floral sensations such as jasmine, rose, lily of the valley, and violet. The compound’s stability and odor duration at 140 hours support its use in diverse fragrance products. Standards like IFRA (Global) regulate its maximum usage level in fragrance concentrates at 5.0% to ensure product safety and consumer protection.
Physico-Chemical Properties Summary
2-decalinyl acetate has a molecular weight of approximately 196.29 g/mol and displays moderate lipophilicity, with an estimated logP around 3.9, indicating preferential solubility in organic solvents such as alcohol, but limited solubility in water. It is a colorless liquid with a refractive index ranging from 1.475 to 1.482 at 20 °C. The compound boils between 251 and 252 °C at standard atmospheric pressure, and has a flash point near 100 °C (212 °F), classifying it as moderately stable under typical formulation conditions. Its vapor pressure is low, about 0.02 mmHg at 25 °C, which corresponds to slow evaporation and good substantivity in fragrance products. These properties contribute to its utility in perfumery, supporting fragrance longevity and compatibility across various product types including creams, lotions, shampoos, and soaps.
FAQ
What is 2-decalinyl acetate and what are its key attributes?
2-decalinyl acetate is a synthetic ester compound with a decalin structure esterified by acetate. It is chiefly used as a fragrance agent characterized by a medium woody and fruity odor with floral and herbal undertones. Its molecular formula is C12H20O2. The compound appears as a colorless liquid with good stability and a long-lasting scent profile, suitable for inclusion in various perfumery and cosmetic products.
Where is 2-decalinyl acetate typically applied and what are its environmental considerations?
This compound finds its main application as a perfuming ingredient in fragrances to impart woody, balsam, and floral notes. It is used in formulations such as creams, lotions, shampoos, and soaps. From an environmental standpoint, 2-decalinyl acetate is classified as dangerous for the environment and is toxic to aquatic organisms, with potential long-term adverse effects. Thus, handling and release into the environment require caution, aligning with regulatory safety measures.
What regulatory guidance exists for the use and safety of 2-decalinyl acetate?
2-decalinyl acetate is regulated under fragrance safety standards including the IFRA Code of Practice (Global), which recommends usage levels not exceeding 5% in fragrance concentrates. It is not approved for flavor use. Its safety data indicate low acute toxicity but specify environmental hazards, necessitating adherence to special instructions to prevent environmental release. Documentation from regulatory agencies such as ECHA and FDA uniquely identify the compound by CAS number 10519-11-6.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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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: | 2915.39.9050 |
| ChemSpider: | View |
General Material Information
| Preferred name | 2-decalinyl acetate |
| Trivial Name | 2-Naphthalenol, decahydro-, 2-acetate |
| Short Description | decahydro-2-naphthyl acetate |
| Formula | C12 H20 O2 |
| CAS Number | 10519-11-6 |
| ECHA Number | 234-054-3 |
| FDA UNII | 1A258Z18EC |
| Nikkaji Number | J167.258D |
| MDL | MFCD00021657 |
| xLogP3-AA | 3.50 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 196.28979492188 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.363 to 8.446 |
| Refractive Index | 1.475 to 1.482 @ 20 °C |
| Boiling Point | 251 to 252°C @ 760 mm Hg |
| Vapor Pressure | 0.02 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.9 est |
| Solubility | |
| alcohol | Yes |
| water, 33.98 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| bath foam | Unspecified |
| cream | Unspecified |
| hair spray | Unspecified |
| lipstick | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Woody | |
| woody, floral, fruity, herbal, dusty | |
| Odor strength | medium |
| Substantivity | 140 hour(s) at 100.00 % |
| Luebke, William tgsc, (1987) | At 100.00 %. woody floral fruity herbal dusty |
| General comment | Woody-fruity (similar to Oryclon), floral and herbal |
Potential Uses
| Applications | |
| Odor purposes | Balsam , Bark , Earth , Fruit , Hay new mown hay , Herbal , Incense , Jasmin , Leather , Lily of the valley , Rose , Spice , Violet , Woody |
| Other purposes | Dry |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| N - Dangerous for the environment. | |
| 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 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) | |
| 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 Cosmetics Toxicology. Vol. 17, Pg. 755, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 755, 1979. | |
| 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 | |||
| Recommendation for 2-decalinyl acetate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for 2-decalinyl acetate 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):10519-11-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :25324 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3082 |
| WGK Germany:2 |
| 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate |
| Chemidplus:0010519116 |