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A3412

Sigma-Aldrich

cis-Aconitic acid

≥98%

Synonym(s):

cis-Propene-1,2,3-tricarboxylic acid

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About This Item

Linear Formula:
HO2CCH2C(CO2H)=CHCO2H
CAS Number:
585-84-2
Molecular Weight:
174.11
Beilstein:
1725829
MDL number:
MFCD00063184
UNSPSC Code:
12352100
PubChem Substance ID:
57653844
NACRES:
NA.22

Quality Level

200

Assay

≥98%

form

powder

mp

122 °C (lit.)

storage temp.

−20°C

SMILES string

OC(=O)C\C(=C\C(O)=O)C(O)=O

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-

InChI key

GTZCVFVGUGFEME-IWQZZHSRSA-N

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General description

cis-Aconitic acid is an organic acid mainly found in plants. It is one of the intermediates formed during citric acid cycle.

Application

cis-Aconitic acid can be used as a standard for the determination of organic acids in plant tissues.

Caution

May form trans isomer upon prolonged storage

Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Danger

Hazard Statements

H315,H319,H335,H350

Hazard Classifications

Carc. 1B - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Supplementary Hazards

EUH019

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000401828
0000401829
0000375824
0000355507
0000355508

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