| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 4-methylpentan-2-yl (E)-but-2-enoate |
| InChI : | InChI=1/C10H18O2/c1-5-6-10(11)12-9(4)7-8(2)3/h5-6,8-9H,7H2,1-4H3/b6-5+ |
| InChIKey : | VCLJLOIXTASTGU-AATRIKPKBY |
| SMILES : | C\C=C\C(=O)OC(C)CC(C)C |
| (EINECS) number : | 252-438-9 |
| cas number : | 35206-51-0 |
| molar refractivity : | 50.12 ± 0.3 cm3 |
| parachor : | 436.7 ± 4.0 cm3 |
| index of refraction : | 1.436 ± 0.02 |
| surface tension : | 27.0 ± 3.0 dyne/cm |
| density : | 0.889 ± 0.06 g/cm3 |
| polarizability : | 19.87 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | unspecified |
| |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity juicy apple pear plum grape |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87400 - 0.87700 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.273 to 7.298
|
| refractive index : | 1.43100 - 1.43400 @ 20.00 °C.
|
| boiling point : | 80.00 °C. @ 15.00 mm Hg
|
| boiling point : | 204.00 - 205.00 °C. @ 760.00 mm Hg
|
| acid value : | 2.00 max. KOH/g
|
| logp : | 3.40 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 161.00 °F. TCC ( 71.67 °C. )
|
| | |
| recommendation for apple crotonate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
|
| | |
| recommendation for apple crotonate usage levels up to : |
| | not for flavor use.
|
| | |
| safety links : | |
| (EINECS) number : | 252-438-9 |
| chemidplus : | 035206510 |
| epa-srs : | 35206-51-0 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 739386 |
| | |