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| IUPAC name : | 2,6-dimethyloctan-2-ol |
| InChI : | InChI=1/C10H22O/c1-5-9(2)7-6-8-10(3,4)11/h9,11H,5-8H2,1-4H3 |
| InChIKey : | WRFXXJKURVTLSY-UHFFFAOYAK |
| SMILES : | CCC(C)CCCC(C)(C)O |
| cas number : | 18479-57-7 |
| (EINECS) number : | 242-361-9 |
| molar refractivity : | 49.83 ± 0.3 cm3 |
| parachor : | 439.2 ± 4.0 cm3 |
| index of refraction : | 1.433 ± 0.02 |
| surface tension : | 27.6 ± 3.0 dyne/cm |
| density : | 0.826 ± 0.06 g/cm3 |
| polarizability : | 19.75 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| molecular weight : | 158.2810800 |
| formula : | C10 H22 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2905.19.0000 |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Tetra Hydro Myrcenol
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| IFF : | Tetrahydro Myrcenol
≥97% Odor: Soft, lime, citrus, floral |
| Moellhausen : | tetrahydromyrcenol
95% min. nature identical kosher |
| Nippon Terpene : | Tetrahydromyrcenol
99% |
| Penta : | tetrahydromyrcenol
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| Sigma-Aldrich-SAFC : | Tetrahydromyrcenol
95% |
| Takasago : | Tetrahydro Myrcenol
≥95% Odor: Floral |
organoleptics :
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| odor type : | citrus |
| odor strength : | medium |
odor description :¹ at 100.00 %. | fresh sweet citrus lime floral lily |
| odor sample from : | Millennium Chemicals |
| substantivity : | 6 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.82100 to 0.82900 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.832 to 6.898
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| specific gravity : | 0.82200 to 0.83000 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.848 to 6.914
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| refractive index : | 1.43200 to 1.43700 @ 20.00 °C.
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| boiling point : | 197.00 to 201.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.02500 mm/Hg @ 20.00 °C. |
| vapor density : | 5.5 ( Air = 1 ) |
| flash point : | 161.00 °F. TCC ( 71.67 °C. )
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| logP (o/w) : | 3.54 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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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.
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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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| recommendation for tetrahydromyrcenol usage levels up to : |
| | 30.0000 % in the fragrance concentrate.
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| recommendation for tetrahydromyrcenol usage levels up to : |
| | not for flavor use.
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safety references :
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| msds : | msds |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
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| WGK Germany : | 2 |
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| | 2,6-dimethyloctan-2-ol
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| (EINECS) number : | 242-361-9 |
| chemidplus : | 018479577 |
| EPA Substance Registry Services : | 18479-57-7 |
references :
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| | 2,6-dimethyloctan-2-ol
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| NIST Chemistry WebBook : | 585044144 |
| pubchem : | 663598 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1994)¹ |
| CosIng : | cosmetic data |
| | C of A |