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| IUPAC name : | 4-(4-hydroxy-3-methoxyphenyl)butan-2-one |
| InChI : | InChI=1/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3 |
| InChIKey : | OJYLAHXKWMRDGS-UHFFFAOYAN |
| SMILES : | CC(=O)CCC1=CC(=C(C=C1)O)OC |
| (EINECS) number : | 204-548-3 |
| cas number : | 122-48-5 |
| beilstein number : | 2051099 |
| fema number : | 3124 |
| coe number : | 139 |
| jecfa number : | 730 |
| fl. number : | 07.005 |
| molar refractivity : | 53.65 ± 0.3 cm3 |
| parachor : | 440.1 ± 4.0 cm3 |
| index of refraction : | 1.525 ± 0.02 |
| surface tension : | 40.1 ± 3.0 dyne/cm |
| density : | 1.111 ± 0.06 g/cm3 |
| polarizability : | 21.27 ± 0.5 10-24cm3 |
| xlogp : | 1.40 |
| molecular weight : | 194.2270600 |
| formula : | C11 H14 O3 |
| BioActivity Analysis : | 79243 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Fontarome Chemical : | ZINGERONE (VANILYL ACETONE) |
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| Sigma-Aldrich-SAFC : | Vanillylacetone |
| | ≥96% |
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organoleptics :
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| odor type : | spicy |
| odor strength : | medium |
odor description : at 100.00 %. | sweet spicy phenolic ginger vanilla woody |
| substantivity : | 337 hour(s) at 10.00 % in dipropylene glycol |
properties :
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| appearence : | yellow to yellow brown crystals |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.13800 - 1.13900 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.469 to 9.478
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| refractive index : | 1.54400 - 1.54500 @ 20.00 °C.
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| melting point : | 40.00 - 41.00 °C. @ 760.00 mm Hg
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| boiling point : | 141.00 - 0.50 °C. @ 0.00 mm Hg
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| boiling point : | 290.00 °C. @ 760.00 mm Hg
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| logp : | 1.31 |
safety :
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| Oral Toxicity(LD50) : |
Oral-Rat 2580.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | not determined
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| recommendation for zingerone usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for zingerone usage levels up to : |
| | 80.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 204-548-3 |
| rtecs : | EL8900000 for 122-48-5 |
| chemidplus : | 000122485 |
| epa-srs : | 122-48-5 |
| dtp/nci : | 15335 |
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other :
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references :
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| jecfa number : | 730 |
| fl. number : | 07.005 |
| pubchem : | 173243 |
| NIST Chemistry WebBook : | 2271507821 |
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