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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3,7-dimethyloctan-3-yl acetate |
| InChI : | InChI=1/C12H24O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h10H,6-9H2,1-5H3 |
| InChIKey : | RBKRCARRXLFUGJ-UHFFFAOYAC |
| SMILES : | CCC(C)(CCCC(C)C)OC(=O)C |
| (EINECS) number : | 244-033-0 |
| cas number : | 20780-48-7 |
| molar refractivity : | 59.34 ± 0.3 cm3 |
| parachor : | 526.7 ± 4.0 cm3 |
| index of refraction : | 1.428 ± 0.02 |
| surface tension : | 27.2 ± 3.0 dyne/cm |
| density : | 0.868 ± 0.06 g/cm3 |
| polarizability : | 23.52 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 200.3177600 |
| formula : | C12 H24 O2 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | fresh woody bergamot citrus floral |
| substantivity : | 12 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85600 - 0.86600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.123 to 7.206
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| refractive index : | 1.41600 - 1.42600 @ 20.00 °C.
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| logp : | 4.41 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 167.00 °F. TCC ( 75.00 °C. )
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| recommendation for tetrahydrolinalyl acetate usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for tetrahydrolinalyl acetate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 244-033-0 |
| chemidplus : | 020780487 |
| epa-srs : | 20780-48-7 |
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| other : | |
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| references : | |
| pubchem : | 666164 |
| NIST Chemistry WebBook : | 1309433470 |
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