| Identification | More | [Name]
CIS-ACONITIC ACID | [CAS]
585-84-2 | [Synonyms]
1,2,3-PROPENETRICARBOXYLIC ACID
ACONITIC ACID, CIS-
CIS-1,2,3-PROPENE TRICARBOXYLIC ACID
CIS-ACONITIC ACID
CIS-PROPENE-1,2,3-TRICARBOXYLIC ACID
FEMA 2010
PROPENE-1,2,3-TRICARBOXYLIC ACID
PROPENE-CIS-1,2,3-TRICARBOXYLIC ACID
1,cis-2,3-Propenetricarboxylic acid
1-Propene-1,2,3-tricarboxylic acid, (Z)-
1-Propene-1,2,3-tricarboxylic acid, cis-
3-tricarboxylicacid,(z)-1-propene-2
cis-Aconic acid
cis-Aconitate
cis-aconitic
cis-Oxaloacetic acid
(Z)-1-propene-1,2,3-tricarboxylic acid
cis-Aconitic acid
cis-Citridic acid
cis-Propene-1,2,3-tricarboxylic acid
cis-Citridic acid
#ncis-Aconitic acid | [EINECS(EC#)]
209-564-4 | [Molecular Formula]
C6H6O6 | [MDL Number]
MFCD00063184 | [Molecular Weight]
174.11 | [MOL File]
585-84-2.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO ALMOST WHITE POWDER | [Melting point ]
122 °C (lit.) | [Boiling point ]
225.05°C (rough estimate) | [density ]
1.660 | [FEMA ]
2010 | [refractive index ]
1.5860 (estimate) | [storage temp. ]
2-8°C
| [solubility ]
Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
1.95(at 25℃) | [color ]
White to Off-White | [Odor]
bland | [PH]
3.05(1 mM solution);2.21(10 mM solution);1.55(100 mM solution) | [Water Solubility ]
Soluble in water, alcohol. Slightly soluble in ether. | [BRN ]
1725829 | [Stability:]
Hygroscopic, Light Sensitive | [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-IWQZZHSRSA-N | [SMILES]
OC(=O)C\C(=C\C(O)=O)C(O)=O | [LogP]
-0.14 | [CAS DataBase Reference]
585-84-2(CAS DataBase Reference) | [EPA Substance Registry System]
1-Propene-1,2,3-tricarboxylic acid, (1Z)- (585-84-2) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/38:Irritating to eyes and skin .
R40:Limited evidence of a carcinogenic effect.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing . | [WGK Germany ]
1
| [F ]
3 | [Hazard Note ]
Irritant | [TSCA ]
Yes | [HS Code ]
2917198090 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Carc. 1B
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE TO ALMOST WHITE POWDER | [Uses]
cis-Aconitic acid can be used as a standard for the determination of organic acids in plant tissues. | [Uses]
cis-Aconitic Acid is the cis-isomer of Aconitic Acid. The conjugate base of cis-Aconitic Acid is an intermediate in the isomerization of citrate and isocitrate in the citric acid cycle. | [Uses]
cis-Aconitic acid is used as an intermediate in the production of substances pharmaceuticals. It is widely used in chemical research and as reagent. It acts as a cis-isomer of aconitic acid. | [Definition]
ChEBI: The cis-isomer of aconitic acid. | [General Description]
This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG | [Purification Methods]
Crystallise the cis-acid from water by cooling (solubility is 1g in 2mL of water at 25o). Dry it in a vacuum desiccator. [Beilstein 2 IV 2405.] |
|
| Company Name: |
Alfa Aesar
|
| Tel: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Tel: |
021-021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
|