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| | trans,trans-Muconic acid Basic information |
| Product Name: | trans,trans-Muconic acid | | Synonyms: | (2E,4E)-2,4-Hexadienedioic acid;(e,e)-4-hexadienedioicacid;(2E,4E)-Hexadienedioic acid;trans,trans-Muconic Acid;2,4-Hexadienedioic acid, (2E,4E)-;trans, trans-2,4-Hexadienedioic acid for synthesis;MUCONIC ACID, TRANS, TRANS-;rans,trans-1,3-Butadiene-1,4-dicarboxylic acid | | CAS: | 3588-17-8 | | MF: | C6H6O4 | | MW: | 142.11 | | EINECS: | 222-724-8 | | Product Categories: | Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Aliphatics;Metabolites & Impurities;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;C6 | | Mol File: | 3588-17-8.mol |  |
| | trans,trans-Muconic acid Chemical Properties |
| Melting point | 290 °C (dec.)(lit.) | | Boiling point | 320 °C(lit.) | | density | 1.1712 (rough estimate) | | refractive index | 1.4434 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Soluble in dimethyl sulfoxide and methanol. | | pka | 3.77±0.10(Predicted) | | form | Crystalline Powder | | color | Beige | | Water Solubility | insoluble | | Merck | 14,6299 | | BRN | 1722248 | | InChI | InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+ | | InChIKey | TXXHDPDFNKHHGW-ZPUQHVIOSA-N | | SMILES | C(O)(=O)/C=C/C=C/C(O)=O | | CAS DataBase Reference | 3588-17-8(CAS DataBase Reference) | | NIST Chemistry Reference | trans,trans-Muconic acid(3588-17-8) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | RTECS | MM2235070 | | HS Code | 29171900 | | Storage Class | 11 - Combustible Solids |
| | trans,trans-Muconic acid Usage And Synthesis |
| Chemical Properties | beige crystalline powder | | Uses | A metabolite found in urine, which determines biological exposure index for workers exposed to Benzene. | | Uses | trans,trans-1,3-Butadiene-1,4-dicarboxylic acid is a metabolite found in urine that determines biological exposure index for workers exposed to benzene. | | Definition | ChEBI: The trans,trans-isomer of muconic acid. It is metabolite of benzene in humans and serves as a biomarker of occupational exposure to benzene. | | IC 50 | Human Endogenous Metabolite | | Purification Methods | Crystallise the diacid from H2O. [Beilstein 2 IV 2298.] |
| | trans,trans-Muconic acid Preparation Products And Raw materials |
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