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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (4-methylphenyl) 3-methylbutanoate |
| InChI : | InChI=1/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 |
| InChIKey : | MVDPTWHTUYDLTL-UHFFFAOYAR |
| SMILES : | CC1=CC=C(C=C1)OC(=O)CC(C)C |
| (EINECS) number : | 259-465-5 |
| cas number : | 55066-56-3 |
| fema number : | 3387 |
| coe number : | 10545 |
| jecfa number : | 702 |
| fl. number : | 09.518 |
| molar refractivity : | 56.27 ± 0.3 cm3 |
| parachor : | 463.1 ± 4.0 cm3 |
| index of refraction : | 1.494 ± 0.02 |
| surface tension : | 33.0 ± 3.0 dyne/cm |
| density : | 0.994 ± 0.06 g/cm3 |
| polarizability : | 22.30 ± 0.5 10-24cm3 |
| molecular weight : | 192.2542400 |
| formula : | C12 H16 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | tobacco |
| odor strength : | medium ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | tobacco animal sweet herbal |
| substantivity : | 40 Hour(s) |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97700 - 0.98700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.130 to 8.213
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| refractive index : | 1.48500 - 1.48900 @ 20.00 °C.
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| boiling point : | 103.00 °C. @ 2.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.43 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 209.00 °F. TCC ( 98.33 °C. )
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| recommendation for para-cresyl isovalerate usage levels up to : |
| | 0.2000 % in the fragrance concentrate.
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| recommendation for para-cresyl isovalerate usage levels up to : |
| | 2.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 259-465-5 |
| chemidplus : | 055066563 |
| epa-srs : | 55066-56-3 |
| dtp/nci : | 32511 |
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| other : | |
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| references : | |
| pubchem : | 198591 |
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