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| IUPAC name : | 4-(4-hydroxyphenyl)butan-2-one |
| InChI : | InChI=1/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3 |
| InChIKey : | NJGBTKGETPDVIK-UHFFFAOYAT |
| SMILES : | CC(=O)CCC1=CC=C(C=C1)O |
| (EINECS) number : | 226-806-4 |
| cas number : | 5471-51-2 |
| beilstein number : | 0776080 |
| fema number : | 2588 |
| coe number : | 755 |
| jecfa number : | 728 |
| fl. number : | 07.055 |
| molar refractivity : | 46.97 ± 0.3 cm3 |
| parachor : | 383.5 ± 4.0 cm3 |
| index of refraction : | 1.535 ± 0.02 |
| surface tension : | 41.8 ± 3.0 dyne/cm |
| density : | 1.088 ± 0.06 g/cm3 |
| polarizability : | 18.62 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 164.2010800 |
| formula : | C10 H12 O2 |
| BioActivity Analysis : | 87376 |
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| fda reg : | 172.515 |
h. number : | 2914.50.3000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet berry jam raspberry ripe floral |
| taste description³ : | at 40.00 ppm. Fruity, jammy, berry, raspberry and blueberry with seedy, cotton candy nuances |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | white crystalline powder |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| melting point : | 82.00 - 84.00 °C. @ 760.00 mm Hg
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| boiling point : | 200.00 °C. @ 760.00 mm Hg
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| logp : | 0.94 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 1320.00 mg/kg FCTXAV 8,349,1970
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for raspberry ketone usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for raspberry ketone usage levels up to : |
| | 320.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 226-806-4 |
| rtecs : | EL8925000 for 5471-51-2 |
| chemidplus : | 005471512 |
| epa-srs : | 5471-51-2 |
| dtp/nci : | 26515 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 164378 |
| NIST Chemistry WebBook : | 3072955786 |
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| reference : | Mosciano, Gerard P&F 22, No. 1, 57, (1997)³ |