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| IUPAC name : | 5-hydroxyoctan-4-one |
| InChI : | InChI=1/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3 |
| InChIKey : | BVEYJWQCMOVMAR-UHFFFAOYAK |
| SMILES : | CCCC(C(=O)CCC)O |
| (EINECS) number : | 207-830-4 |
| cas number : | 496-77-5 |
| fema number : | 2587 |
| coe number : | 2045 |
| jecfa number : | 416 |
| fl. number : | 07.065 |
| molar refractivity : | 40.63 ± 0.3 cm3 |
| parachor : | 369.6 ± 4.0 cm3 |
| index of refraction : | 1.435 ± 0.02 |
| surface tension : | 31.8 ± 3.0 dyne/cm |
| density : | 0.926 ± 0.06 g/cm3 |
| polarizability : | 16.10 ± 0.5 10-24cm3 |
| xlogp : | 1.40 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 O2 |
| BioActivity Analysis : | 68282 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | buttery |
| odor strength : | high ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | sweet pungent buttery nut |
| properties : | |
| appearence : | yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92310 @ 25.00 °C.
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| refractive index : | 1.42900 @ 20.00 °C.
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| boiling point : | 80.00 - 82.00 °C. @ 10.00 mm Hg
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| boiling point : | 182.00 °C. @ 760.00 mm Hg
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| logp : | 1.69 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 175.00 °F. TCC ( 79.44 °C. )
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| recommendation for butyroin usage levels up to : |
| | 0.2000 % in the fragrance concentrate.
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| recommendation for butyroin usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 207-830-4 |
| chemidplus : | 000496775 |
| epa-srs : | 496-77-5 |
| dtp/nci : | 1479 |
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| other : | |
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| references : | |
| pubchem : | 203632 |
| NIST Chemistry WebBook : | 755713040 |
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