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santalyl acetate
Santalyl acetate is a woody-scented chemical ester used primarily as a flavor and fragrance agent with CAS number 1323-00-8.
General Material Description
Santalyl acetate is a chemical ester classified under the formula C34H52O4 with a molecular weight of approximately 524.79 g/mol. It is known for its woody odor, characterized by moderate intensity and notable floral and nutty notes. Often encountered as a mixture of alpha and beta isomers, santalyl acetate is referenced under synonyms including 5-(2,3-dimethyl tricyclo[2.2.1.0(2,6)]hept-3-yl)-2-methyl-2-penten-1-yl acetate and santalol acetate. This compound serves as a key ingredient in the fragrance and flavor industry, contributing woody, floral, and berry-like nuances. Derivation is typically through synthetic organic chemistry routes designed to replicate sandalwood scent profiles. For molecular and chemical information, santalyl acetate is linked in scientific databases such as PubChem.
Occurrence, Applicability & Potential Uses
While santalyl acetate is not native to biological systems, it is widely used in various flavor and fragrance formulations to mimic natural sandalwood aromas. Its woody scent profile supports its application in perfuming agents, flavor enhancers, and complex fragrance blends including apricot, balsam, berry, geranium, lilac, musk, oriental, peach, pineapple, root, and sandalwood notes. Regulatory frameworks such as the IFRA Code of Practice (Global) govern its use, recommending maximum inclusion levels of 10% in fragrance concentrates to ensure product safety. Santalyl acetate’s versatility enables its usage across perfumes, personal care products, and flavored consumables, where a sustained woody aroma is desired.
Physico-Chemical Properties Summary
Santalyl acetate exhibits a relatively high flash point of 100 °C (212 °F), indicating moderate volatility suitable for fragrance applications. Its lipophilicity is reflected in a logP value of 5.36, consistent with its oily nature and poor water solubility. The compound's specific gravity ranges between 0.98 and 0.99 at 20-25 °C, with a refractive index measured between 1.485 and 1.493 at 20 °C, supporting its dense ester characteristics. Santalyl acetate dissolves readily in alcohol and shows limited solubility in water, facilitating formulation in both aqueous and organic bases. Stability data indicate that it remains non-discoloring in most media and is compatible with creams, hair sprays, lipsticks, lotions, powders, and soaps, making it a robust choice for diverse perfumery and flavor matrices.
FAQ
What is santalyl acetate and how is it used in products?
Santalyl acetate is a synthetic chemical ester known for its woody and floral odor profile. It is primarily used as a flavor and fragrance agent to impart sandalwood-like aromas to perfumes, cosmetics, and food flavorings. Its balanced scent includes nuances of cashew nut and powdery orris, making it valuable in complex fragrance compositions.
Where is santalyl acetate commonly applied and how is it sourced?
This compound is chiefly applied in the flavor and fragrance industry, incorporated into products such as perfuming agents, flavored consumables, and personal care items. Santalyl acetate is generally synthesized chemically to replicate the natural bouquet of sandalwood, as it does not occur naturally in significant biological sources. Regulatory recommendations, including those from IFRA (Global), guide its appropriate usage levels in these products.
What safety standards and regulations apply to santalyl acetate?
Santalyl acetate has a safety profile classified as an irritant in the European context, with hazard statements indicating potential irritation to skin and eyes. It is regulated under frameworks such as IFRA’s Code of Practice (Global) and FEMA (US) guidelines, where it holds FEMA number 3007. Usage restrictions include a maximum of 10% in fragrance concentrates to ensure consumer safety. Additionally, it is subject to European REACH pre-registration and included in toxicological assessments by authorities like EFSA.
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 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32501 |
| FooDB: | FDB010230 |
| Export Tariff Code: | 2915.39.9050 |
| VCF-Online: | VCF Volatile Compounds in Food |
General Material Information
| Preferred name | santalyl acetate |
| Trivial Name | Santalyl acetate |
| Short Description | 5-(2,3-dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-yl acetate |
| Formula | C34 H52 O4 |
| CAS Number | 1323-00-8 |
| FEMA Number | 3007 |
| Flavis Number | 9.034 |
| ECHA Number | 215-349-6 |
| FDA UNII | NI0P5374LY |
| COE Number | 224 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 985 santalyl acetate (alpha and beta) |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1323-00-8 ; SANTALYL ACETATE |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 524.78521728516 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.155 to 8.205 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.172 to 8.239 |
| Refractive Index | 1.485 to 1.493 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 5.36 |
| Solubility | |
| alcohol | Yes |
| water, 0.1055 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| cream | Unspecified |
| hair spray | Unspecified |
| lipstick | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Woody | |
| woody, floral, cashew, nutty, powdery, orris, violet, acidic, green, berry | |
| Odor strength | medium |
| Substantivity | 400 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 100.00 %. woody floral cashew nutty powdery orris |
| Mosciano, Gerard P&F 16, No. 3, 79, (1991) | Woody, floral ionone, with acidic green berry nuances |
| Flavor Type: Woody | |
| woody, violet, berry | |
| Mosciano, Gerard P&F 16, No. 3, 79, (1991) | At 50.00 ppm. Woody, ionone and berry like |
Potential Uses
| Applications | |
| Odor purposes | Apricot , Balsam , Berry , Geranium , Heather , Lilac , Musk , Oriental , Peach , Pineapple , Root , Sandalwood |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. 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. | |
| 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: | |||
| flavor and 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 santalyl acetate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.10 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 0.53000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 2.30000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.78000 | |
| fruit ices: | - | 0.78000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.3): | 10.00000 | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | 2.00000 | 10.00000 | |
| Sweeteners, including honey (11.0): | 2.00000 | 10.00000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Scientific Opinion on Flavouring Group Evaluation 207 (FGE.207): Consideration of genotoxic potential for one branched-chain aliphatic acyclic a,ß-unsaturated 2-alkylated aldehyde with additional double-bonds, from subgroup 1.1.2 of FGE.19 and four alicyclic aldehydes with the a,ß-unsaturation in a side-chain, from subgroup 2.1 of FGE.19, which are considered to be covered by the one substance of subgroup 1.1.2, by EFSA View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 73, Revision 2 (FGE.73Rev2): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev3 (2012) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 12, Revision 4 (FGE.12Rev4): primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters from chemical groups 1 and 7 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 73, Revision 4 (FGE.73Rev4): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev5 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 73, Revision 5 (FGE.73Rev5): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th, 63rd and 86th meeting) and structurally related to substances evaluated in FGE.12Rev5 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1323-00-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :24832103 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [(Z)-5-[(3R,6S)-2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.02,6]heptan-3-yl]-2-methylpent-2-enyl]acetate;[(Z)-2-methyl-5-[(1R,3R,4S)-3-methyl-2-methylide |
| Chemidplus:0001323008 |