Articles:
[4S-(4a,4aa,8ab)]-octahydro-4,8a-dimethyl-4a(2H)-naphthalenol
Notes:
earthy smelling cpd from sediment in lake biwa. Implicated in off-flavour of shellfish, freshwater fish, drinking water and some vegetables
Geosmin, which literally translates to "earth smell", is an organic compound with a distinct earthy flavour and aroma, and is responsible for the earthy taste of beets and a contributor to the strong scent that occurs in the air when rain falls after a dry spell of weather (petrichor) or when soil is disturbed. The human nose is extremely sensitive to geosmin and is able to detect it at concentrations as low as 5 parts per trillion.
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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: | 19700-21-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 243-239-8 | |
| FDA UNII: | MYW912WXJ4 | |
| Nikkaji Web: | J3.785K | |
| Beilstein Number: | 2410491 | |
| CoE Number: | 10216 | |
| XlogP3-AA: | 3.30 (est) | |
| Molecular Weight: | 182.30654000 | |
| Formula: | C12 H22 O | |
| 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: | yellow clear liquid (est) |
| Assay: | 92.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 270.00 to 271.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 219.00 °F. TCC ( 103.89 °C. ) |
| logP (o/w): | 3.497 (est) |
| Soluble in: | |
| alcohol | |
| water, 156.7 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: earthy | |
| Odor Strength: | high , recommend smelling in a 0.10 % solution or less |
| fresh musty earthy humus | |
| Odor Description: at 1.00 % in dipropylene glycol. | fresh musty earthy soil |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 4a(2H)-Naphthalenol,octahydro-4,8a-dimethyl-, (4S,4aS,8aR)- |
| 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 36/37/38 - 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 | ||
| 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 |
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 |
Potential Blenders and core components note
Potential Uses:
| earth | FR | |
| fern | FR | |
| herbal | FR | |
| moss | FR | |
| ocean sea | FR | |
| sea breeze | FR | |
| patchouli | FR | |
| seaweed absolute replacer | FR | |
| thyme oil white replacer | FR |
Occurrence (nature, food, other): note
| algae blue-green algae Search PMC Picture | |
| beet red beet Search PMC Picture | |
| corn husk oil Search Trop Picture | |
| corn seed oil Search Trop Picture | |
| corn silk Search Trop Picture | |
| fungi Search PMC Picture | |
| streptomyces spp. Search PMC Picture |
Synonyms:
| (4S,4aS,8aR)-4,8a- | dimethyl decalin-4a-ol |
| (4S,4aS,8aR)-4,8a- | dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol |
| 1,10-trans- | dimethyl-trans-(9)-decalol |
| (4S,4aS,8aR)-4,8a- | dimethyloctahydro-4a(2H)-naphthalenol |
| (4S,4aS,8aR)-4,8a- | dimethyloctahydronaphthalen-4a(2H)-ol |
| 4a(2H)- | naphthalenol, octahydro-4,8a-dimethyl-, (4S,4aS,8aR)- |
| [4S-(4a,4aa,8ab)]- | octahydro-4,8a-dimethyl-4a(2H)-naphthalenol |
| (4S-(4alpha,4aalpha,8abeta))- | octahydro-4,8a-dimethyl-4a(2H)-naphthol |
| octahydro-4,8alpha-dimethyl-4alpha(2H)-naphthalenol | |
| octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol |