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| IUPAC name : | prop-2-enyl 3-cyclohexylprop-2-enoate |
| InChI : | InChI=1/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2 |
| InChIKey : | KCMITHMNVLRGJU-UHFFFAOYAI |
| SMILES : | C=CCOC(=O)C=CC1=CC=CC=C1 |
| (EINECS) number : | 217-477-8 |
| cas number : | 1866-31-5 |
| fema number : | 2022 |
| coe number : | 334 |
| jecfa number : | 19 |
| fl. number : | 09.741 |
| molar refractivity : | 57.54 ± 0.3 cm3 |
| parachor : | 443.3 ± 4.0 cm3 |
| index of refraction : | 1.557 ± 0.02 |
| surface tension : | 38.0 ± 3.0 dyne/cm |
| density : | 1.054 ± 0.06 g/cm3 |
| polarizability : | 22.81 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 188.2224800 |
| formula : | C12 H12 O2 |
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| IUPAC name : | prop-2-enyl (E)-3-cyclohexylprop-2-enoate |
| InChI : | InChI=1/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2/b9-8+ |
| InChIKey : | KCMITHMNVLRGJU-CMDGGOBGBN |
| SMILES : | C=CCOC(=O)\C=C\C1=CC=CC=C1 |
| cas number : | 1866-31-5 |
| molar refractivity : | 57.54 ± 0.3 cm3 |
| parachor : | 443.3 ± 4.0 cm3 |
| index of refraction : | 1.557 ± 0.02 |
| surface tension : | 38.0 ± 3.0 dyne/cm |
| density : | 1.054 ± 0.06 g/cm3 |
| polarizability : | 22.81 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 188.2224800 |
| formula : | C12 H12 O2 |
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| fda reg : | 172.515 |
h. number : | 2916.12.6000 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity pineapple balsam peach spicy |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04800 - 1.05700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.720 to 8.795
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| refractive index : | 1.56400 - 1.57100 @ 20.00 °C.
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| boiling point : | 113.00 °C. @ 0.50 mm Hg
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| boiling point : | 150.00 - 152.00 °C. @ 15.00 mm Hg
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| logp : | 2.93 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 1520.00 mg/kg FCTXAV 2,327,1964
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg FCTXAV 15,615,1977
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl cinnamate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for allyl cinnamate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 217-477-8 |
| rtecs : | GD8050000 for 1866-31-5 |
| chemidplus : | 1866-31-5 |
| epa-srs : | 1866-31-5 |
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| chemidplus : | 001866315 |
| epa-srs : | 1866-31-5 |
| dtp/nci : | 20972 |
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| ifra : | ifra - ( Found under : Allyl esters ) |
| other : | |
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| references : | |
| pubchem : | 29283754 |
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| pubchem : | 159131 |
| NIST Chemistry WebBook : | 838915937 |
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