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5-(2,3-dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-yl acetate
Notes:
Ideal liaison for woody and rooty notes. Used as a food additive [EAFUS]
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 1323-00-8 Santalyl Acetate
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CJ Latta & Associates, LLC Extensive Line Aromatic Chemicals and Organic Acids. CJ Latta & Associates is a distributor of specialty aromatics and organic acids used in the formulation of flavors and fragrance manufactured worldwide. We pride ourselves on our reputation for, fair pricing, quality and reliability. We’ve built our business on successfully sourcing and developing many challenging specialty chemicals and fine ingredients for our clients. Email: Info US Email: Chip Latta Email: Sales US Email: Chip Latta Voice: (630) 240-8079 Product(s): SANTALYL ACETATE
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 19-09000 SANTALYL ACETATE
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| CAS Number: | 1323-00-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 215-349-6 | |
| FDA UNII: | NI0P5374LY | |
| CoE Number: | 224 | |
| XlogP: | 4.30 (est) | |
| Molecular Weight: | 524.78524000 | |
| Formula: | C34 H52 O4 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | CASrn in Register refers to incompletely defined substance. 60-65 % a-, 30-35 % b- form. 80-85 % Z versus 15-20 % E (for the alpha) and 75-80 % Z versus 20-25 % E (for the beta) (EFFA, 2013). | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 985 santalyl acetate (alpha and beta) |
| DG SANTE Food Flavourings: | 09.034 santalyl acetate (alpha and beta) |
| FEMA Number: | 3007 santalyl acetate (alpha and beta) |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1323-00-8 ; SANTALYL ACETATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless to pale yellow clear viscous liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98000 to 0.98600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.155 to 8.205 |
| Specific Gravity: | 0.98100 to 0.98900 @ 20.00 °C. |
| Pounds per Gallon - est.: | 8.172 to 8.239 |
| Refractive Index: | 1.48500 to 1.49300 @ 20.00 °C. |
| Acid Value: | 1.00 max. KOH/g |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 5.360 |
| Soluble in: | |
| alcohol | |
| water, 0.1055 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| cream | |
| hair spray | |
| lipstick | |
| lotion | |
| non-discoloring in most media | |
| powder | |
| soap | |
Organoleptic Properties:
| Odor Type: woody | |
| Odor Strength: | medium |
| Substantivity: | 400 hour(s) at 100.00 % |
| woody floral cashew nutty powdery orris | |
| Odor Description: at 100.00 %. | woody floral cashew nutty powdery orris Luebke, William tgsc, (1989) |
| woody floral violet acidic green berry | |
| Odor Description: | Woody, floral ionone, with acidic green berry nuances Mosciano, Gerard P&F 16, No. 3, 79, (1991) |
| Flavor Type: woody | |
| woody violet berry | |
| Taste Description: at 50.00 ppm. | Woody, ionone and berry like Mosciano, Gerard P&F 16, No. 3, 79, (1991) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Santalyl Acetate |
| CJ Latta & Associates |
| SANTALYL ACETATE |
| Penta International |
| SANTALYL ACETATE |
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 (05.0): | 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf | |
| 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 |
References:
| [(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 | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1323-00-8 |
| Pubchem (cid): | 24832103 |
| Pubchem (sid): | 135020725 |
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 |
Potential Blenders and core components note
Potential Uses:
| apricot | FR | |
| balsam | FR | |
| berry | FR | |
| geranium | FR | |
| heather | FR | |
| lilac | FR | |
| musk | FR | |
| oriental | FR | |
| peach | FR | |
| pineapple | FR | |
| root | FR | |
| sandalwood | FR |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 5-(2,3- | dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-yl acetate |
| santalol acetate | |
| santalol, acetate | |
| santalyl acetate (alpha and beta) |