(1Z)-1-Propene-1,2,3-tricarboxylic acid

Basic Information

View in Editor

CAS Number

585-84-2

Molecular Formula

C6H6O6

Molecular Weight

174.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

122 °C

Boiling Point

225.05°C (rough estimate)

Water Solubility

Soluble in water, alcohol. Slightly soluble in ether.

Flash Point

296°C

Refractive Index

1.5860 (estimate)

SMILES

View in Editor

C(/C(=C/C(=O)O)/C(=O)O)C(=O)O

InChI

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

LogP

-0.4433000000000001

pKa

1.95(at 25℃)

Topological Polar Surface Area

111.89999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

251

Safety Information

View Safety Information

GHS Hazard Pictograms

H351

Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

Sensitiveness

易吸湿

Synonyms & References

English

(Z)-Prop-1-ene-1,2,3-tricarboxylic acid
Cls-Aconitic acid
cis-Aconitic acid
1-Propene-1,2,3-tricarboxylic acid, cis-
ACONITIC ACID, cis-(RG)
(1Z)-Prop-1-ene-1,2,3-tricarboxylic acid
ACONITIC ACID,CIS
cis-Aconic acid
cis-Aconitate
cis-aconitic
cis-Aconitsaeure
cis-Citridic acid
cis-Oxaloacetic acid
cis-propene-1,2,3-tricarboxylic acid
FEMA 2010
Propen-1t,2,3-tricarbonsaeure
propene-1t,2,3-tricarboxylic acid
NSC 227901
(1Z)-1-Propene-1,2,3-tricarboxylic acid
(Z)-Aconitic acid

MDL Number

MFCD00063184

Customs Code

2917190090

FAQ

What is (1Z)-1-Propene-1,2,3-tricarboxylic acid (CAS: 585-84-2)?

It is an organic compound with the chemical formula (1Z)-1,2,3-tricarboxyprop-1-en-1-ol, commonly known as (1Z)-1-propene-1,2,3-tricarboxylic acid. It has a pungent odor and is used in various applications due to its acidic nature and reactivity.

What are the main uses of (1Z)-1-Propene-1,2,3-tricarboxylic acid (CAS: 585-84-2)?

This compound is primarily used in the synthesis of other organic compounds, as a reagent in organic chemistry, and in the formulation of certain pharmaceuticals and industrial cleaning agents. It is also used in research as a functional group for derivatization and as a model compound.

Is (1Z)-1-Propene-1,2,3-tricarboxylic acid (CAS: 585-84-2) safe?

The compound is generally considered safe when handled with proper precautions. However, it can be irritating to the eyes, skin, and respiratory system. Protective equipment such as gloves, goggles, and a lab coat should be worn. Avoid inhalation and contact with skin and eyes. If exposure occurs, rinse thoroughly with water and seek medical advice.

How should (1Z)-1-Propene-1,2,3-tricarboxylic acid (CAS: 585-84-2) be stored?

It should be stored in a cool, dry place away from direct sunlight and heat sources. Keep it in a tightly sealed container to prevent degradation. Avoid contact with incompatible materials such as bases, oxidizers, and reducing agents. Store in a well-ventilated area to minimize the risk of inhalation exposure.