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| IUPAC name : | 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol |
| InChI : | InChI=1/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3 |
| InChIKey : | MDVYIGJINBYKOM-UHFFFAOYAS |
| SMILES : | CC1CCC(C(C1)OCC(CO)O)C(C)C |
| cas number : | 87061-04-9 |
| (EINECS) number : | 289-296-2 |
| fema number : | 3784 |
| jecfa number : | 1408 |
| fl. number : | 02.224 |
| molar refractivity : | 64.89 ± 0.4 cm3 |
| parachor : | 565.3 ± 6.0 cm3 |
| index of refraction : | 1.478 ± 0.03 |
| surface tension : | 37.2 ± 5.0 dyne/cm |
| density : | 1.00 ± 0.1 g/cm3 |
| polarizability : | 25.72 ± 0.5 10-24cm3 |
| XlogP : | 2.30 |
| molecular weight : | 230.3437400 |
| formula : | C13 H26 O3 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Apple : | Cooling agent MOPD
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| Penta : | menthoxypropane diol
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organoleptics :
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| odor strength : | medium |
odor description : at 100.00 %. | minty vanilla |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98900 to 0.99900 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.229 to 8.313
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| refractive index : | 1.47200 to 1.47600 @ 20.00 °C.
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| boiling point : | 121.00 to 125.00 °C. @ 0.25 mm Hg
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| boiling point : | 361.00 to 362.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | 343.00 °F. TCC ( 172.78 °C. )
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| logP (o/w) : | 2.63 |
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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 789.00 (μg/capita/day) |
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| recommendation for menthoxypropane diol 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 |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
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| (EINECS) number : | 289-296-2 |
| chemidplus : | 087061049 |
| EPA Substance Registry Services : | 87061-04-9 |
references :
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| | 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
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| fl. number : | 02.224 |
| jecfa number : | 1408 |
| pubchem : | 199645 |
Cosmetics :
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| Cosmetic uses : |
masking agents
refreshing agents
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other :
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| CosIng : | cosmetic data |