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ChemicalBook--->CAS DataBase List--->585-84-2

585-84-2

585-84-2 Structure

585-84-2 Structure
IdentificationMore
[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 PropertiesBack 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
[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 DataBack 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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sucrose-->TRANS-ACONITIC ACID-->CIS-ACONITIC ANHYDRIDE-->Water-->Ethanol-->3-Methoxypropylamine-->Oxalic acid-->Citric acid
Hazard InformationBack 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.]
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

cis-Aconitic acid, tech. 90%(585-84-2)
[Sigma Aldrich]

585-84-2(sigmaaldrich)
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