| Identification | More | [Name]
TRANS-ACONITIC ACID | [CAS]
4023-65-8 | [Synonyms]
1,2,3-PROPENETRICARBOXYLIC ACID
3-CARBOXY-PENT-2-ENEDIOIC ACID
ACHILLEIC ACID
ACONITIC ACID
ACONITIC ACID, TRANS-
AKOS NCG1-0088
(E)-1-PROPENE-1,2,3-TRICARBOXYLIC ACID
(E)-3-CARBOXY-PENT-2-ENEDIOIC ACID
PROPENE-TRANS-1,2,3-TRICARBOXYLIC ACID
TRANS-1,2,3-PROPENETRICARBOXYLIC ACID
TRANS-1-PROPENE-1,2,3-TRICARBOXYLIC ACID
TRANS-ACONITIC ACID
TRANS-PROPENE-1,2,3-TRICARBOXYLIC ACID
(1Z)-1-Propene-1,2,3-tricarboxylic acid
1-Propene-1,2,3-tricarboxylic acid, (E)-
1-Propene-1,trans-2,3-tricarboxylic acid
2-Carboxyglutaconicacid
3-tricarboxylicacid,(e)-1-propene-2
trans-Aconitate
TRANS-ACONITIC ACID 98+% FCC | [EINECS(EC#)]
223-688-6 | [Molecular Formula]
C6H6O6 | [MDL Number]
MFCD00002721 | [Molecular Weight]
174.11 | [MOL File]
4023-65-8.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO OFF-WHITE CRYSTALLINE POWDER | [Melting point ]
190 °C (dec.)(lit.)
| [Boiling point ]
225.05°C (rough estimate) | [density ]
0.56 g/cm3 (20℃) | [FEMA ]
2010 | ACONITIC ACID | [refractive index ]
1.5860 (estimate) | [storage temp. ]
Store below +30°C. | [solubility ]
400g/l | [form ]
Solid | [pka]
2.8(at 25℃) | [color ]
White to Off-White | [Odor]
at 100.00 %. vegetable musty nut dry toasted | [PH]
3.14(1 mM solution);2.48(10 mM solution);1.92(100 mM solution) | [Odor Type]
vegetable | [Water Solubility ]
Soluble in water at 20°C 400g/L. Slightly soluble in ether. | [BRN ]
1725830 | [InChI]
1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+ | [InChIKey]
GTZCVFVGUGFEME-HNQUOIGGSA-N | [SMILES]
OC(=O)C\C(=C/C(O)=O)C(O)=O | [LogP]
-0.14 | [CAS DataBase Reference]
4023-65-8(CAS DataBase Reference) | [EPA Substance Registry System]
1-Propene-1,2,3-tricarboxylic acid, (1E)- (4023-65-8) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H335-H315-H319 | [Precautionary statements ]
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [RTECS ]
UD2380000 | [TSCA ]
Yes | [HS Code ]
2917.19.7050 | [REACH Registrations]
Inactive | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE TO OFF-WHITE CRYSTALLINE POWDER | [Uses]
It plays an important role as an antimicrobial agent that blocks the transformation of Leishmania donovani amastigotes to prostigotes. trans-Aconitic acid is also used in synthesis of aconitate esters. It may be used for cross-linking polyvinyl alcohol film for preparing composite nanofiltration membranes. | [Definition]
ChEBI: The trans-isomer of aconitic acid. | [General Description]
trans-Aconitic acid is inhibitor of the tricarboxylic acid cycle and was identified in range grasses. | [Biochem/physiol Actions]
Antimicrobial agent that blocks the transformation of Leishmania donovani amastigotes to prostigotes. | [storage]
Store at -20°C | [Purification Methods]
Purify trans-acid by dissolving it in AcOH (77g/150mL), filtering and cooling. The acid separates (55g) as colourless needles. A further quantity (10g) can be obtained by reducing the volume of the filtrate. The acid is dried in air then in a vacuum desiccator over NaOH. The acid can be recrystallised from Me2CO/CHCl3. The highest melting point is obtained with the very dry acid. A melting point of 209o was obtained on a Dennis bar [Dennis & Shalton J Am Chem Soc 52 3128 1930, Bruce Org Synth Coll Vol II 12 1943]. [Beilstein 2 IV 2405.] |
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