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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | [2-(2-methylbutan-2-yl)cyclohexyl] acetate |
| InChI : | InChI=1/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3 |
| InChIKey : | YEVACTAGDANHRH-UHFFFAOYAO |
| SMILES : | CCC(C)(C)C1CCCCC1OC(=O)C |
| (EINECS) number : | 267-500-0 |
| cas number : | 67874-72-0 |
| molar refractivity : | 62.01 ± 0.4 cm3 |
| parachor : | 538.8 ± 6.0 cm3 |
| index of refraction : | 1.452 ± 0.03 |
| surface tension : | 30.4 ± 5.0 dyne/cm |
| density : | 0.92 ± 0.1 g/cm3 |
| polarizability : | 24.58 ± 0.5 10-24cm3 |
| xlogp : | 4.60 |
| molecular weight : | 212.3284600 |
| formula : | C13 H24 O2 |
| BioActivity Analysis : | 83605 |
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| IUPAC name : | (4-tert-butylcyclohexyl) acetate |
| InChI : | InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3 |
| InChIKey : | MBZRJSQZCBXRGK-UHFFFAOYAF |
| SMILES : | CC(=O)OC1CCC(CC1)C(C)(C)C |
| (EINECS) number : | 250-954-9 |
| cas number : | 32210-23-4 |
| molar refractivity : | 57.38 ± 0.4 cm3 |
| parachor : | 498.8 ± 6.0 cm3 |
| index of refraction : | 1.450 ± 0.03 |
| surface tension : | 30.0 ± 5.0 dyne/cm |
| density : | 0.93 ± 0.1 g/cm3 |
| polarizability : | 22.74 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 198.3018800 |
| formula : | C12 H22 O2 |
| BioActivity Analysis : | 438072 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | balsam woody sweet fir balsam raspberry jam |
| substantivity : | 16 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93900 - 0.94700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.813 to 7.880
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| specific gravity : | 0.94000 - 0.94800 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.831 to 7.898
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| refractive index : | 1.45500 - 1.45900 @ 20.00 °C.
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| logp : | 4.49 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 201.00 °F. TCC ( 93.89 °C. )
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| recommendation for conifer acetate usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for conifer acetate usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 267-500-0 |
| chemidplus : | 067874720 |
| epa-srs : | 67874-72-0 |
| dtp/nci : | 21163 |
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| (EINECS) number : | 250-954-9 |
| chemidplus : | 032210234 |
| epa-srs : | 32210-23-4 |
| dtp/nci : | 163103 |
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| other : | |
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| references : | |
| pubchem : | 199057 |
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| pubchem : | 177634 |
| NIST Chemistry WebBook : | 1421766050 |
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