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| IUPAC name : | 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl propanoate |
| InChI : | InChI=1/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3 |
| InChIKey : | CMKQOKAXUWQAHG-UHFFFAOYAX |
| SMILES : | CCC(=O)OC(C)(C)C1CCC(=CC1)C |
| (EINECS) number : | 201-266-2 |
| cas number : | 80-27-3 |
| fema number : | 3053 |
| coe number : | 423 |
| jecfa number : | 369 |
| fl. number : | 09.142 |
| molar refractivity : | 61.21 ± 0.3 cm3 |
| parachor : | 524.8 ± 6.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 32.1 ± 3.0 dyne/cm |
| density : | 0.953 ± 0.06 g/cm3 |
| polarizability : | 24.26 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 210.3125800 |
| formula : | C13 H22 O2 |
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| IUPAC name : | 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl propanoate |
| InChI : | InChI=1/C13H22O2/c1-5-12(14)15-13(3,4)11-8-6-10(2)7-9-11/h6,11H,5,7-9H2,1-4H3 |
| InChIKey : | CMKQOKAXUWQAHG-UHFFFAOYAX |
| SMILES : | CCC(=O)OC(C)(C)C1CCC(=CC1)C |
| (EINECS) number : | 263-530-3 |
| cas number : | 62395-45-3 |
| molar refractivity : | 61.21 ± 0.3 cm3 |
| parachor : | 524.8 ± 6.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 32.1 ± 3.0 dyne/cm |
| density : | 0.953 ± 0.06 g/cm3 |
| polarizability : | 24.26 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 210.3125800 |
| formula : | C13 H22 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.50.5000 |
| organoleptics : | |
| odor type : | green |
| odor strength : | medium |
odor description :
at 100.00 %. | green woody citrus sweet tropical |
| taste description³ : | at 20.00 ppm.
Sweet, green, with fruity and tropical nuances |
| substantivity : | 32 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94700 - 0.95200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.880 to 7.922
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| refractive index : | 1.46200 - 1.46800 @ 20.00 °C.
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| boiling point : | 258.00 - 259.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.20 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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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. ) : | 187.00 °F. TCC ( 86.11 °C. )
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| recommendation for terpinyl propionate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for terpinyl propionate usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 201-266-2 |
| chemidplus : | 000080273 |
| epa-srs : | 80-27-3 |
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| (EINECS) number : | 263-530-3 |
| chemidplus : | 062395453 |
| epa-srs : | 62395-45-3 |
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| other : | |
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C of A
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| references : | |
| jecfa number : | 369 |
| fl. number : | 09.142 |
| pubchem : | 203603 |
| NIST Chemistry WebBook : | 2325878184 |
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| pubchem : | 689744 |
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| reference : | Mosciano, Gerard P&F 16, No. 3, 79, (1991)³ |