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cedrenyl acetate
Cedrenyl acetate is a medium-strength woody fragrance ester with a high boiling point and good substantivity used mainly in perfuming formulations.
General Material Description
Cedrenyl acetate is a sesquiterpenoid acetate ester characterized by the molecular formula C17H26O2. It presents as a colorless to pale yellow liquid with a distinct medium-strength woody aroma reminiscent of cedar, dry wood, and vetiver notes. Its IUPAC name is (3R-(3alpha,3Abeta,7beta,8aalpha))-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate. Cedrenyl acetate is linked in PubChem under CID 102120 and is generally obtained via extraction or synthesis related to natural cedarwood oils. These characteristics make it valuable in fragrance chemistry, where its dry woody nuances contribute to complex scent profiles.
Occurrence, Applicability & Potential Uses
Cedrenyl acetate naturally occurs in cedarwood essential oils and similar botanical sources, contributing woody and balsamic scent nuances. Its primary applicability lies in fragrance development within the perfumery and cosmetic sectors. It serves as a versatile perfuming agent enhancing olfactory profiles with amber, cedar, herbal, moss, oriental, and woody notes. Standards such as IFRA (Global) govern its recommended usage levels, which are up to 20% in fragrance concentrates. Cedrenyl acetate is not approved for flavor use. This compound's high substantivity also supports extended fragrance longevity in diverse personal and household care products.
Physico-Chemical Properties Summary
Cedrenyl acetate exhibits a moderate molecular weight of approximately 262.39 g/mol, with a molecular formula of C17H26O2. It has a boiling point range around 332 to 333°C at atmospheric pressure, indicating thermal stability suitable for various applications. Its specific gravity ranges from 0.986 to 0.997 at 20 to 25°C, correlating with its liquid state under ambient conditions. The refractive index lies between 1.491 and 1.501 at 20°C, reflecting optical clarity typical of esters. Cedrenyl acetate has low vapor pressure (~0.00013 mmHg at 25°C), which underscores its low volatility and prolonged scent retention. It is soluble in alcohol but exhibits limited water solubility (approximately 0.6203 mg/L at 25°C). It has an estimated logP of 3.90 to 5.365, indicating moderate lipophilicity that aids in formulation compatibility with oil-based matrices. The flash point is approximately 199°F (93°C), requiring conventional handling precautions.
FAQ
What is cedrenyl acetate and what are its primary characteristics?
Cedrenyl acetate is a chemical compound classified as a sesquiterpenoid acetate ester with the formula C17H26O2. It is known for its medium-strength woody odor with nuances of cedar, dry wood, and vetiver. The compound typically occurs as a liquid under ambient conditions and is widely utilized in the fragrance industry. Its structure includes multiple stereocenters contributing to its olfactory profile. It is also referred to by several synonyms and has a CAS number of 1405-92-1.
Where is cedrenyl acetate found and how is it used in products?
Cedrenyl acetate naturally occurs in cedarwood oils and related botanical extracts where it contributes woody aromatic properties. It is used primarily as a fragrance agent to impart amber, cedar, herbal, moss, oriental, and woody notes in perfumes and cosmetic formulations. The compound's low volatility and high substantivity make it desirable for creating long-lasting scents. Usage levels follow regulatory guidelines such as those from IFRA (Global) to ensure safe incorporation.
What safety assessments and regulations apply to cedrenyl acetate?
Cedrenyl acetate is generally regarded as having low toxicity with oral and dermal LD50 values exceeding 5000 mg/kg in animal studies. The substance has no GHS classifications under OSHA regulations (29 CFR 1910). The International Fragrance Association (IFRA) recommends usage limits up to 20% in fragrance concentrates. It is not approved for flavor applications. Manufacturers follow these safety standards and conduct assessments such as those from RIFM to monitor potential hazards and safe use. Regulatory data are accessible through databases like ECHA REACH and EPA Substance Registry.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| NCBI | Start search |
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 | cedrenyl acetate |
| Trivial Name | Cedrenyl acetate |
| Short Description | (3R-(3alpha,3Abeta,7beta,8aalpha))-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate |
| Formula | C17 H26 O2 |
| CAS Number | 1405-92-1 |
| Deleted CAS Number | 65082-67-9 |
| ECHA Number | 215-789-9 |
| FDA UNII | Search |
| Nikkaji Number | J298.600K |
| xLogP3-AA | 3.90 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 262.39260864258 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.205 to 8.288 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.222 to 8.306 |
| Refractive Index | 1.491 to 1.501 @ 20 °C |
| Boiling Point | 332 to 333°C @ 760 mm Hg |
| Vapor Pressure | 0.00013 mmHg @ 25 °C |
| Flash Point TCC Value | 92.78 °C TCC |
| logP (o/w) | 5.365 est |
| Solubility | |
| alcohol | Yes |
| water, 0.6203 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Woody | |
| sharp, dry, woody, cedar, peanut, waxy, vetiver | |
| Odor strength | medium |
| Substantivity | 400 hour(s) at 100.00 % |
| Luebke, William tgsc, (1986) | At 100.00 %. sharp dry woody cedar peanut waxy vetiver |
Potential Uses
| Applications | |
| Odor purposes | Amber , Cedar , Herbal , Moss , Oriental , Woody |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| 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. 13, Pg. 743, 1975. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 743, 1975. | |
| 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 cedrenyl acetate usage levels up to: | |||
| 20.0000 % in the fragrance concentrate. | |||
| Recommendation for cedrenyl 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):1405-92-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :102120 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| Chemidplus:0001405921 |