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alpha-santalol acetate
Notes:
Mixts. with b-santalyl acetate are used as flavouring ingredients
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 41414-75-9 |  3D/inchi
|
| Other(deleted CASRN): | 77-87-2 | |
| FDA UNII: | X7GK783K17 | |
| XlogP3-AA: | 4.50 (est) | |
| Molecular Weight: | 262.39262000 | |
| Formula: | C17 H26 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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 |
Physical Properties:
| Appearance: | colorless to pale yellow clear viscous liquid (est) |
| Assay: | 50.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 323.00 to 325.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000233 mmHg @ 25.00 °C. (est) |
| Flash Point: | 223.00 °F. TCC ( 106.11 °C. ) |
| logP (o/w): | 5.355 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.1615 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: woody | |
| Odor Strength: | medium |
| Substantivity: | 400 hour(s) at 100.00 % |
| woody sandalwood powdery | |
| Odor Description: at 100.00 %. | woody sandalwood powdery |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| (+)-alpha-Santalyl Acetate |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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: | |
|
oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 993, 1974. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 993, 1974. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (+)-alpha-santalyl acetate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6445771 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(Z)-5-[(1R,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 | |
| Chemidplus: | 0041414759 |
References:
| [(Z)-5-[(1R,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 | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6445771 |
| Pubchem (sid): | 135135963 |
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): | HMDB37209 |
| FooDB: | FDB016216 |
| Export Tariff Code: | 2915.39.9050 |
| ChemSpider: | View |
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
| not 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 stereoisomer |
| 5-(2,3- | dimethyl tricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-2-penten-1-ol acetate stereoisomer |
| 2- | penten-1-ol, 5-(2,3-dimethyltricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-, acetate, stereoisomer |
| a- | santalol acetate |
| alpha- | santalol acetate |
| (+)-a- | santalyl acetate |