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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1-(4-methoxyphenyl)pent-1-en-3-one |
| InChI : | InChI=1/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3 |
| InChIKey : | SLDQOBRACOQXGE-UHFFFAOYAG |
| SMILES : | CCC(=O)C=CC1=CC=C(C=C1)OC |
| (EINECS) number : | 203-190-5 |
| cas number : | 104-27-8 |
| beilstein number : | 3197137 |
| fema number : | 2673 |
| coe number : | 164 |
| jecfa number : | 826 |
| fl. number : | 07.030 |
| molar refractivity : | 58.11 ± 0.3 cm3 |
| parachor : | 451.5 ± 4.0 cm3 |
| index of refraction : | 1.542 ± 0.02 |
| surface tension : | 35.8 ± 3.0 dyne/cm |
| density : | 1.030 ± 0.06 g/cm3 |
| polarizability : | 23.03 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 190.2383600 |
| formula : | C12 H14 O2 |
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| IUPAC name : | (E)-1-(4-methoxyphenyl)pent-1-en-3-one |
| InChI : | InChI=1/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+ |
| InChIKey : | SLDQOBRACOQXGE-QPJJXVBHBM |
| SMILES : | CCC(=O)\C=C\C1=CC=C(C=C1)OC |
| cas number : | 104-27-8 |
| molar refractivity : | 58.11 ± 0.3 cm3 |
| parachor : | 451.5 ± 4.0 cm3 |
| index of refraction : | 1.542 ± 0.02 |
| surface tension : | 35.8 ± 3.0 dyne/cm |
| density : | 1.030 ± 0.06 g/cm3 |
| polarizability : | 23.03 ± 0.5 10-24cm3 |
| xlogp : | 2.30 |
| molecular weight : | 190.2383600 |
| formula : | C12 H14 O2 |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | powdery |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | dry sweet powdery cherry almond vanillin vanitrope coumarin anisic heliotropine |
| properties : | |
| appearence : | white to pale yellow crystals |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 60.00 °C. @ 760.00 mm Hg
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| boiling point : | 278.00 °C. @ 12.00 mm Hg
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| logp : | 2.65 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 304.00 °F. TCC ( 151.11 °C. )
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| IFRA critical Effect : | Sensitization |
| recommendation for powdery ketone usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| recommendation for powdery ketone usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-190-5 |
| chemidplus : | 104-27-8 |
| epa-srs : | 104-27-8 |
| dtp/nci : | 133448 |
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| chemidplus : | 000104278 |
| epa-srs : | 104-27-8 |
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| ifra : | ifra - ( Found under : alpha-Methylanisylidene acetone ) |
| other : | |
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| references : | |
| jecfa number : | 826 |
| fl. number : | 07.030 |
| pubchem : | 422451 |
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| pubchem : | 197231 |
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