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| IUPAC name : | (2,4-dimethylcyclohexyl)methyl acetate |
| InChI : | InChI=1/C11H20O2/c1-8-4-5-11(9(2)6-8)7-13-10(3)12/h8-9,11H,4-7H2,1-3H3 |
| InChIKey : | KLSKYUJILONZTN-UHFFFAOYAS |
| SMILES : | CC1CCC(C(C1)C)COC(=O)C |
| (EINECS) number : | 266-827-6 |
| cas number : | 67634-22-4 |
| molar refractivity : | 52.82 ± 0.3 cm3 |
| parachor : | 467.5 ± 4.0 cm3 |
| index of refraction : | 1.431 ± 0.02 |
| surface tension : | 27.5 ± 3.0 dyne/cm |
| density : | 0.903 ± 0.06 g/cm3 |
| polarizability : | 20.93 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
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| export tariff code : | 2915.39.9050 |
| fda reg : | unspecified |
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Suppliers :
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| International Flavors & Fragrances : | Dihydro Floralate
≥96% (sum of isomers) |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | floral woody carvone sweet cortex |
| substantivity : | 4 Hour(s) |
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 : | 0.93200 to 0.94000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.755 to 7.822
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| specific gravity : | 0.93300 to 0.94100 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.773 to 7.839
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| refractive index : | 1.44500 to 1.45000 @ 20.00 °C.
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| logp : | 3.75 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 192.00 °F. TCC ( 88.89 °C. )
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| recommendation for 2,4-dimethyl cyclohexyl methyl acetate usage levels up to : |
| | 20.0000 % in the fragrance concentrate.
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| recommendation for 2,4-dimethyl cyclohexyl methyl acetate usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
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| | (2,4-dimethylcyclohexyl)methyl acetate
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| (EINECS) number : | 266-827-6 |
| chemidplus : | 067634224 |
| EPA Substance Registry Services : | 67634-22-4 |
| NLM Chemical Carcinogenesis Research Information System : | 67634-22-4 |
| NLM Developmental and Reproductive Toxicity : | 67634-22-4 |
| NLM Env. Mutagen Info. Center : | 67634-22-4 |
| NLM GENetic TOXicology : | 67634-22-4 |
references :
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| | (2,4-dimethylcyclohexyl)methyl acetate
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| pubchem : | 683972 |
other :
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