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| IUPAC name : | prop-1-ene-1,2,3-tricarboxylic acid |
| InChI : | InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey : | GTZCVFVGUGFEME-HNQUOIGGBQ |
| SMILES : | C(C(=CC(=O)O)C(=O)O)C(=O)O |
| (EINECS) number : | 207-877-0 |
| cas number : | 499-12-7 |
| fema number : | 2010 |
| coe number : | 33 |
| jecfa number : | 627 |
| fl. number : | 08.033 |
| molar refractivity : | 34.44 ± 0.3 cm3 |
| parachor : | 319.6 ± 4.0 cm3 |
| index of refraction : | 1.570 ± 0.02 |
| surface tension : | 86.3 ± 3.0 dyne/cm |
| density : | 1.660 ± 0.06 g/cm3 |
| polarizability : | 13.65 ± 0.5 10-24cm3 |
| xlogp : | -1.10 |
| molecular weight : | 174.1082400 |
| formula : | C6 H6 O6 |
| BioActivity Analysis : | 73450 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | none |
odor description :
at 100.00 %. | very mild nutty musty |
| taste description³ : | at 25.00 ppm.
Nutty, vegetative, musty and slightly caramellic |
| properties : | |
| appearence : | colorless to yellow crystals |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 194.00 - 195.00 °C. @ 760.00 mm Hg
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| boiling point : | 542.00 - 543.00 °C. @ 760.00 mm Hg
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| logp : | 0.63 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI) : | 0.012 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 564.00 °F. TCC ( 295.56 °C. )
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| recommendation for aconitic acid usage levels up to : |
| | not for fragrance use.
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| recommendation for aconitic acid usage levels up to : |
| | 25.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 207-877-0 |
| chemidplus : | 000499127 |
| epa-srs : | 499-12-7 |
| dtp/nci : | 7616 |
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| other : | |
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| references : | |
| jecfa number : | 627 |
| fl. number : | 08.033 |
| pubchem : | 153633 |
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| reference : | Mosciano, Gerard P&F 21, No. 3, 51, (1996)³ |