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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl acetate |
| InChI : | InChI=1/C15H24O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h8-9,12H,6-7,10H2,1-5H3 |
| InChIKey : | WODKSVNXBYBTQC-UHFFFAOYAC |
| SMILES : | CC1=C(C(CCC1)(C)C)C=CC(C)OC(=O)C |
| (EINECS) number : | 244-736-2 |
| cas number : | 22030-19-9 |
| fema number : | 3844 |
| coe number : | 10702 |
| jecfa number : | 1409 |
| fl. number : | 09.305 |
| molar refractivity : | 72.67 ± 0.3 cm3 |
| parachor : | 588.8 ± 6.0 cm3 |
| index of refraction : | 1.508 ± 0.02 |
| surface tension : | 34.2 ± 3.0 dyne/cm |
| density : | 0.971 ± 0.06 g/cm3 |
| polarizability : | 28.80 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 236.3498600 |
| formula : | C15 H24 O2 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet woody raspberry violet sweet jam |
| taste description³ : | at 1.00 - 20.00 ppm.
Woody, slightly floral ionone raspberry/berry-like character with jammy floral nuances |
| substantivity : | 24 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 92.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93400 - 0.94400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.772 to 7.855
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| refractive index : | 1.47500 - 1.48200 @ 20.00 °C.
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| boiling point : | 120.00 °C. @ 2.00 mm Hg
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| logp : | 5.28 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 210.00 °F. TCC ( 98.89 °C. )
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| recommendation for beta-ionyl acetate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for beta-ionyl acetate usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 244-736-2 |
| chemidplus : | 022030199 |
| epa-srs : | 22030-19-9 |
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| other : | |
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| references : | |
| pubchem : | 667464 |
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| reference : | Mosciano, Gerard P&F 25, No. 1, 49, (2000)³ |