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| IUPAC Name - | 3-methyl-6-propan-2-ylcyclohex-2-en-1-ol |
| InChI - | InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3 |
| InChIKey - | HPOHAUWWDDPHRS-UHFFFAOYAB |
| SMILES - | CC1=CC(C(CC1)C(C)C)O |
| CAS Number : | 491-04-3 |
| (EINECS) Number : | 207-725-3 |
| FEMA Number : | 3179 |
| COE Number : | 10248 |
| Molar Refractivity : | 47.43 ± 0.3 cm3 (est) |
| Parachor : | 395.7 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.480 ± 0.02 (est) |
| Surface Tension : | 31.6 ± 3.0 dyne/cm (est) |
| Density : | 0.924 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.80 ± 0.5 10-24cm3 (est) |
| XlogP : | 2.50 (est) |
| XlogP3-AA : | 2.10 (est) |
| Molecular Weight : | 154.2493200 (IUPAC) (PT) (112) |
| Formula : | C10 H18 O |
| NMR Predictor : | Predict |
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| Category : | flavoring agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | 434
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| Fl@vouring Number : | 02.083
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| FDA Mainterm : | P-MENTH-1-EN-3-OL. |
Suppliers :
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| Nanjing : | piperitol
orders in chinese. |
Organoleptics :
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| Odor Type : | herbal |
| Odor Strength : | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | herbal |
Properties :
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| Appearence : | white to pale amber crystals |
| Assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| Specific Gravity : | 0.93000 to 0.93600 @ 25.00 °C.
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| Pounds per Gallon - est. : | 7.739 to 7.788
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| Refractive Index : | 1.47620 @ 25.00 °C.
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| Melting Point : | 96.00 to 97.00 °C. @ 760.00 mm Hg
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| Boiling Point : | 230.00 to 232.00 °C. @ 760.00 mm Hg
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| Flash Ppoint : | 193.00 °F. TCC ( 89.44 °C. )
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| logP (o/w) : | 2.94 |
Safety :
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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Safety in Use :
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| Category : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.02 (μg/capita/day) |
| Structure Class : | I |
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| Recommendation for piperitol fragrance usage levels up to : |
| | not for fragrance use.
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Safety References :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Toxicology Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 3-methyl-6-propan-2-ylcyclohex-2-en-1-ol |
| (EINECS) Number : | 207-725-3 |
| Chemidplus : | 000491043 |
| EPA Substance Registry Services : | 491-04-3 |
References :
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| | 3-methyl-6-propan-2-ylcyclohex-2-en-1-ol |
| NIST Chemistry WebBook : | 2732024493 |
| Pubchem : | 153546 |
| Flavornet : | 491-04-3 |
Other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |