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geosmin
General Material Information
| Preferred name | geosmin |
| Trivial Name | Geosmin |
| Short Description | [4S-(4a,4aa,8ab)]-octahydro-4,8a-dimethyl-4a(2H)-naphthalenol |
| Formula | C12 H22 O |
| CAS Number | 19700-21-1 |
| ECHA Number | 243-239-8 |
| FDA UNII | MYW912WXJ4 |
| Nikkaji Number | J3.785K |
| Beilstein Number | 2410491 |
| COE Number | 10216 |
| xLogP3-AA | 3.30 (est) |
| NMR Predictor | External link |
| Synonyms |
|
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 |
Literature & References
| Leffingwell: | Chirality or Article |
| (4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 29746 |
| Pubchem (sid): | 135339892 |
| Flavornet: | 19700-21-1 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C16286 |
| HMDB (The Human Metabolome Database): | HMDB36461 |
| FooDB: | FDB015352 |
| YMDB (Yeast Metabolome Database): | YMDB01699 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
| BOC Sciences |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 182.30653381348 |
| Boiling Point | 270 to 271°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 103.89 °C TCC |
| logP (o/w) | 3.497 est |
| Solubility | |
| alcohol | Yes |
| water, 156.7 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Earthy | |
| fresh, musty, earthy, humus | |
| General comment | At 1.00 % in dipropylene glycol. fresh musty earthy soil |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Earth , Fern , Herbal , Moss , Ocean sea , Sea breeze , Patchouli , Seaweed absolute replacer , Thyme oil white replacer |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 geosmin usage levels up to: | |||
| 0.0500 % in the fragrance concentrate. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA GENetic TOXicology:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :29746 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| (4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol |
| Chemidplus:0019700211 |