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| IUPAC name : | 2-cyclohexylethyl (E)-2-methylbut-2-enoate |
| InChI : | InChI=1/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+ |
| InChIKey : | KVMWYGAYARXPOL-QDEBKDIKBQ |
| (EINECS) number : | 259-774-5 |
| cas number : | 55719-85-2 |
| beilstein number : | 2523411 |
| fema number : | 2870 |
| coe number : | 2186 |
| jecfa number : | 997 |
| fl. number : | 09.496 |
| molar refractivity : | 60.64 ± 0.3 cm3 |
| parachor : | 490.9 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 35.1 ± 3.0 dyne/cm |
| density : | 1.012 ± 0.06 g/cm3 |
| polarizability : | 24.04 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 204.2649400 |
| formula : | C13 H16 O2 |
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| export tariff code : | 2916.19.6000 |
| fda reg : | unspecified |
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Suppliers :
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| Bedoukian Research : | PHENYL ETHYL TIGLATE
≥98.0%, Kosher |
| Cargill - Alfrebro : | PHENETHYL TIGLATE
natural, Kosher |
| Sigma-Aldrich-SAFC : | Phenethyl tiglate
≥94%, Kosher |
organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description : at 100.00 %. | green sweet rose natural oily leaf herbal |
| substantivity : | 240 Hour(s) |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.01000 to 1.01700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.404 to 8.462
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| refractive index : | 1.51000 to 1.51600 @ 20.00 °C.
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| boiling point : | 139.00 to 140.00 °C. @ 7.00 mm Hg
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| boiling point : | 259.00 °C. @ 760.00 mm Hg
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| logp : | 4.06 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Levenstein, 1974e)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.24 (μg/capita/day) |
| flash point ( Deg. F. ) : | 215.00 °F. TCC ( 101.67 °C. )
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| recommendation for phenethyl tiglate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for phenethyl tiglate usage levels up to : |
| | 25.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
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| | 2-cyclohexylethyl (E)-2-methylbut-2-enoate
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| (EINECS) number : | 259-774-5 |
| RTECS : | EM9255000 for 55719-85-2 |
| chemidplus : | 055719852 |
| EPA Substance Registry Services : | 55719-85-2 |
| NLM Chemical Carcinogenesis Research Information System : | 55719-85-2 |
| NLM Developmental and Reproductive Toxicity : | 55719-85-2 |
| NLM Env. Mutagen Info. Center : | 55719-85-2 |
| NLM GENetic TOXicology : | 55719-85-2 |
| dtp/nci : | 69122 |
references :
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| | 2-cyclohexylethyl (E)-2-methylbut-2-enoate
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| jecfa number : | 997 |
| fl. number : | 09.496 |
| pubchem : | 182273 |
| NIST Chemistry WebBook : | 4276945164 |
other :
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