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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (E)-4-[(5R)-5,6,6-trimethyl-1-cyclohexenyl]but-3-en-2-one |
| InChI : | InChI=1/C13H20O/c1-10-6-5-7-12(13(10,3)4)9-8-11(2)14/h7-10H,5-6H2,1-4H3/b9-8+/t10-/m1/s1 |
| InChIKey : | LGNGQZVFJGUASS-AAXQSMANBM |
| SMILES : | C[C@@H]1CCC=C(C1(C)C)\C=C\C(=O)C |
| (EINECS) number : | 201-224-3 |
| cas number : | 79-77-6 |
| beilstein number : | 1909544 |
| fema number : | 2595 |
| coe number : | 142 |
| jecfa number : | 389 |
| molar refractivity : | 61.70 ± 0.3 cm3 |
| parachor : | 492.0 ± 6.0 cm3 |
| index of refraction : | 1.511 ± 0.02 |
| surface tension : | 32.7 ± 3.0 dyne/cm |
| density : | 0.935 ± 0.06 g/cm3 |
| polarizability : | 24.46 ± 0.5 10-24cm3 |
| xlogp : | 4.00 |
| molecular weight : | 192.2973000 |
| formula : | C13 H20 O |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 10.00 % in dipropylene glycol. | dry powdery floral woody orris |
| taste description³ : | at 20.00 ppm. Woody, floral, berry, fruity with powdery nuances |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 266.00 - 269.00 °C. @ 760.00 mm Hg
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| logp : | 3.75 |
| safety : | |
| most important hazard(s) : |
Xi N - Irritant, Dangerous for the environment. |
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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. ) : | 233.00 °F. TCC ( 111.67 °C. )
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| IFRA other specification : | <= 2% Pseudoionone |
| recommendation for (E)-beta-ionone usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for (E)-beta-ionone usage levels up to : |
| | 100.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 201-224-3 |
| rtecs : | EN0500000 for 79-77-6 |
| chemidplus : | 000079776 |
| epa-srs : | 79-77-6 |
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| ifra : | ifra - ( Found under : Pseudoionone (2,6-Dimethylundeca-2,6,8-trien-10-one) ) |
| other : | |
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| references : | |
| pubchem : | 149585 |
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| reference : | Mosciano, Gerard P&F 16, No. 4, 45, (1991)³ |