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| IUPAC name : | 1,3-benzodioxol-5-ylmethyl 2-methylpropanoate |
| InChI : | InChI=1/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3 |
| InChIKey : | RQULTIASPCVEFO-UHFFFAOYAL |
| SMILES : | CC(C)C(=O)OCC1=CC2=C(C=C1)OCO2 |
| (EINECS) number : | 226-745-3 |
| cas number : | 5461-08-5 |
| fema number : | 2913 |
| coe number : | 305 |
| jecfa number : | 895 |
| fl. number : | 09.430 |
| molar refractivity : | 57.59 ± 0.3 cm3 |
| parachor : | 480.7 ± 4.0 cm3 |
| index of refraction : | 1.528 ± 0.02 |
| surface tension : | 43.8 ± 3.0 dyne/cm |
| density : | 1.189 ± 0.06 g/cm3 |
| polarizability : | 22.83 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 222.2371600 |
| formula : | C12 H14 O4 |
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| fda reg : | 172.515 |
h. number : | 2932.29.6550 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity berry jam |
| properties : | |
| appearence : | colorless to yellow clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.15400 @ 25.00 °C.
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| refractive index : | 1.51100 @ 20.00 °C.
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| boiling point : | 91.00 - 92.00 °C. @ 0.05 mm Hg
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| logp : | 2.67 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for heliotropyl isobutyrate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for heliotropyl isobutyrate usage levels up to : |
| | 4.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 226-745-3 |
| chemidplus : | 005461085 |
| epa-srs : | 5461-08-5 |
| dtp/nci : | 23947 |
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| other : | |
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| references : | |
| pubchem : | 204064 |
| NIST Chemistry WebBook : | 2053461478 |
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