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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-(phenylmethylidene)heptyl 3-methylbutanoate |
| InChI : | InChI=1/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3 |
| InChIKey : | RNKTVAMGERKTEZ-UHFFFAOYAS |
| SMILES : | CC(C)CC(=O)OCC(=Cc1ccccc1)CCCCC |
| cas number : | 7493-80-3 |
| fema number : | 2067 |
| coe number : | 463 |
| jecfa number : | 678 |
| fl. number : | 09.468 |
| molar refractivity : | 90.04 ± 0.3 cm3 |
| parachor : | 726.3 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 34.7 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 35.69 ± 0.5 10-24cm3 |
| xlogp : | 5.90 |
| molecular weight : | 288.4244200 |
| formula : | C19 H28 O2 |
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| IUPAC name : | [(2E)-2-(phenylmethylidene)heptyl] 3-methylbutanoate |
| InChI : | InChI=1/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14+ |
| InChIKey : | RNKTVAMGERKTEZ-NBVRZTHBBN |
| SMILES : | CC(C)CC(=O)OC/C(=C/c1ccccc1)CCCCC |
| cas number : | 7493-80-3 |
| molar refractivity : | 90.04 ± 0.3 cm3 |
| parachor : | 726.3 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 34.7 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 35.69 ± 0.5 10-24cm3 |
| xlogp : | 5.90 |
| molecular weight : | 288.4244200 |
| formula : | C19 H28 O2 |
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| IUPAC name : | [(2Z)-2-(phenylmethylidene)heptyl] 3-methylbutanoate |
| InChI : | InChI=1/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3/b18-14- |
| InChIKey : | RNKTVAMGERKTEZ-JXAWBTAJBA |
| SMILES : | CCCCC/C(=C/C1=CC=CC=C1)/COC(=O)CC(C)C |
| cas number : | 7493-80-3 |
| molar refractivity : | 90.04 ± 0.3 cm3 |
| parachor : | 726.3 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 34.7 ± 3.0 dyne/cm |
| density : | 0.964 ± 0.06 g/cm3 |
| polarizability : | 35.69 ± 0.5 10-24cm3 |
| xlogp : | 5.90 |
| molecular weight : | 288.4244200 |
| formula : | C19 H28 O2 |
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| export tariff code : | 2915.60.0000 |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | fruity tobacco oily |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| boiling point : | 392.00 - 393.00 °C. @ 760.00 mm Hg
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| logp : | 6.71 |
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. ) : | 253.00 °F. TCC ( 122.78 °C. )
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| recommendation for alpha-amyl cinnamyl isovalerate usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for alpha-amyl cinnamyl isovalerate usage levels up to : |
| | 3.0000 ppm in the flavor.
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safety links :
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| chemidplus : | 7493-80-3 |
| epa-srs : | 7493-80-3 |
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| chemidplus : | 7493-80-3 |
| epa-srs : | 7493-80-3 |
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| chemidplus : | 007493803 |
| epa-srs : | 7493-80-3 |
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| EPI System : | Click here |
other :
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references :
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| jecfa number : | 678 |
| fl. number : | 09.468 |
| pubchem : | 7493-80-3 |
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| pubchem : | 7493-80-3 |
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| pubchem : | 197671 |
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