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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl) propanoate |
| InChI : | InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3 |
| InChIKey : | DFVXNZOMAOGTBL-UHFFFAOYAS |
| SMILES : | CCC(=O)OC1CC(CC=C1C)C(=C)C |
| (EINECS) number : | 202-583-9 |
| cas number : | 97-45-0 |
| beilstein number : | 2526499 |
| fema number : | 2251 |
| coe number : | 424 |
| jecfa number : | 383 |
| fl. number : | 09.143 |
| molar refractivity : | 61.22 ± 0.4 cm3 |
| parachor : | 511.9 ± 6.0 cm3 |
| index of refraction : | 1.475 ± 0.03 |
| surface tension : | 30.7 ± 5.0 dyne/cm |
| density : | 0.95 ± 0.1 g/cm3 |
| polarizability : | 24.27 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 208.2967000 |
| formula : | C13 H20 O2 |
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| IUPAC name : | [(1R,5R)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate |
| InChI : | InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12-/m1/s1 |
| InChIKey : | DFVXNZOMAOGTBL-VXGBXAGGBT |
| SMILES : | CCC(=O)O[C@@H]1C[C@@H](CC=C1C)C(=C)C |
| cas number : | 97-45-0 |
| molar refractivity : | 61.22 ± 0.4 cm3 |
| parachor : | 511.9 ± 6.0 cm3 |
| index of refraction : | 1.475 ± 0.03 |
| surface tension : | 30.7 ± 5.0 dyne/cm |
| density : | 0.95 ± 0.1 g/cm3 |
| polarizability : | 24.27 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 208.2967000 |
| formula : | C13 H20 O2 |
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| IUPAC name : | [(1R,5S)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate |
| InChI : | InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12+/m0/s1 |
| InChIKey : | DFVXNZOMAOGTBL-NWDGAFQWBG |
| SMILES : | CCC(=O)O[C@@H]1C[C@H](CC=C1C)C(=C)C |
| cas number : | 74431-24-6 |
| molar refractivity : | 61.22 ± 0.4 cm3 |
| parachor : | 511.9 ± 6.0 cm3 |
| index of refraction : | 1.475 ± 0.03 |
| surface tension : | 30.7 ± 5.0 dyne/cm |
| density : | 0.95 ± 0.1 g/cm3 |
| polarizability : | 24.27 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 208.2967000 |
| formula : | C13 H20 O2 |
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| IUPAC name : | [(1S,5R)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate |
| InChI : | InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12+/m1/s1 |
| InChIKey : | DFVXNZOMAOGTBL-NEPJUHHUBM |
| SMILES : | CCC(=O)O[C@H]1C[C@@H](CC=C1C)C(=C)C |
| cas number : | 97-45-0 |
| molar refractivity : | 61.22 ± 0.4 cm3 |
| parachor : | 511.9 ± 6.0 cm3 |
| index of refraction : | 1.475 ± 0.03 |
| surface tension : | 30.7 ± 5.0 dyne/cm |
| density : | 0.95 ± 0.1 g/cm3 |
| polarizability : | 24.27 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 208.2967000 |
| formula : | C13 H20 O2 |
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| IUPAC name : | [(1S,5S)-2-methyl-5-prop-1-en-2-yl-1-cyclohex-2-enyl] propanoate |
| InChI : | InChI=1/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12-/m0/s1 |
| InChIKey : | DFVXNZOMAOGTBL-RYUDHWBXBE |
| SMILES : | CCC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C |
| cas number : | 97-45-0 |
| molar refractivity : | 61.22 ± 0.4 cm3 |
| parachor : | 511.9 ± 6.0 cm3 |
| index of refraction : | 1.475 ± 0.03 |
| surface tension : | 30.7 ± 5.0 dyne/cm |
| density : | 0.95 ± 0.1 g/cm3 |
| polarizability : | 24.27 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 208.2967000 |
| formula : | C13 H20 O2 |
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| export tariff code : | 2915.50.3000 |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | (-)Carvyl propionate |
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organoleptics :
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| odor type : | minty |
| odor strength : | medium |
odor description : at 100.00 %. | sweet warm minty fruity |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95200 @ 20.00 °C.
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| refractive index : | 1.47400 @ 20.00 °C.
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| boiling point : | 78.00 - 80.00 °C. @ 0.20 mm Hg
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| boiling point : | 239.00 °C. @ 760.00 mm Hg
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| logp : | 4.05 |
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. ) : | 226.00 °F. TCC ( 107.78 °C. )
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| recommendation for carvyl propionate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for carvyl propionate usage levels up to : |
| | 25.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 202-583-9 |
| rtecs : | OS8525000 for 97-45-0 |
| chemidplus : | 000097450 |
| epa-srs : | 97-45-0 |
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| chemidplus : | 97-45-0 |
| epa-srs : | 97-45-0 |
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| chemidplus : | 74431-24-6 |
| epa-srs : | 74431-24-6 |
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| chemidplus : | 97-45-0 |
| epa-srs : | 97-45-0 |
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| chemidplus : | 97-45-0 |
| epa-srs : | 97-45-0 |
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| EPI System : | Click here |
other :
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references :
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| jecfa number : | 383 |
| fl. number : | 09.143 |
| pubchem : | 150396 |
| NIST Chemistry WebBook : | 1295368390 |
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| pubchem : | 44871948 |
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| pubchem : | 44871946 |
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| pubchem : | 97-45-0 |
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| pubchem : | 97-45-0 |
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