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| IUPAC name : | 4-oxopentanoic acid |
| InChI : | InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)/f/h7H |
| InChIKey : | JOOXCMJARBKPKM-QDQILVOLCJ |
| SMILES : | CC(=O)CCC(=O)O |
| (EINECS) number : | 204-649-2 |
| cas number : | 123-76-2 |
| beilstein number : | 0506796 |
| fema number : | 2627 |
| coe number : | 23 |
| jecfa number : | 606 |
| fl. number : | 08.023 |
| molar refractivity : | 26.80 ± 0.3 cm3 |
| parachor : | 257.9 ± 4.0 cm3 |
| index of refraction : | 1.434 ± 0.02 |
| surface tension : | 39.6 ± 3.0 dyne/cm |
| density : | 1.129 ± 0.06 g/cm3 |
| polarizability : | 10.62 ± 0.5 10-24cm3 |
| xlogp : | -0.40 |
| molecular weight : | 116.1152200 |
| formula : | C5 H8 O3 |
| BioActivity Analysis : | 70155 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | caramellic |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet guaiacol creamy acidic vanillin caramel |
| taste description³ : | at 70.00 ppm.
Acidic, sweet, creamy and slight dairy |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | yellow to brown clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.13600 - 1.14200 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.453 to 9.503
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| refractive index : | 1.44000 - 1.44500 @ 20.00 °C.
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| melting point : | 30.00 - 33.00 °C. @ 760.00 mm Hg
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| boiling point : | 245.00 - 246.00 °C. @ 760.00 mm Hg
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| logp : | -0.49 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 1850.00 mg/kg (Moreno, 1977j)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 190.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 280.00 °F. TCC ( 137.78 °C. )
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| recommendation for levulinic acid usage levels up to : |
| | not for fragrance use.
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| recommendation for levulinic acid usage levels up to : |
| | 70.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-649-2 |
| rtecs : | OI1575000 for 123-76-2 |
| chemidplus : | 000123762 |
| epa-srs : | 123-76-2 |
| dtp/nci : | 3716 |
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| other : | |
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| references : | |
| pubchem : | 173312 |
| NIST Chemistry WebBook : | 570494075 |
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| reference : | Mosciano, Gerard P&F 14, No. 6, 47, (1989)³ |