1,2,4-Butanetricarboxylic acid

Basic Information

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CAS Number

923-42-2

Molecular Formula

C7H10O6

Molecular Weight

190.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

117-120 °C

Boiling Point

116-117 °C(Press: 1 Torr)

Density

1.481±0.06 g/cm3(Predicted)

Flash Point

178.4 °C

Refractive Index

1.521

SMILES

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C(CC(=O)O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C7H10O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h4H,1-3H2,(H,8,9)(H,10,11)(H,12,13)

InChIKey

LOGBRYZYTBQBTB-UHFFFAOYSA-N

LogP

0.026700000000000057

pKa

4.31±0.23(Predicted)

Topological Polar Surface Area

111.89999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

221

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1,2,4-BUTANETRICARBOXYLIC ACID
3-Carboxyadipic acid
3-Carboxyhexanedioic acid
butane-1,2,4-tricarboxylic acid
1,2,4-Tricarboxybutane
NSC 60127
NSC 8447
2-[[(carboxymethylthio)-phenylmethyl]amino]benzoic acid
1,2,4-Butanetricarboxylic acid
(+-)-3-carboxy-adipic acid
(+-)-3-Carboxy-adipinsaeure
1,4-Butanetricarboxylic acid
Butan-1,2,4-tricarbonsaeure
carboxylate,42
n-butane-1,2,4,tricarboxylic acid
1,2,4-Butanetricarboxylicacid
NSC8447
carboxylate, 42
3-Carboxy-hexanedioic acid
BDBM17781
NSC60127
SBB091067
BBL002835
STK378693
Hexanedioic acid, 3-carboxy-
Pentanedioic acid, 2-(carboxymethyl)-
DB-001547
butane-1,2,4-tricarboxylicacid
923-42-2
GS-3871
NSC-8447

MDL Number

MFCD00152304

Customs Code

2917190090

FAQ

What are the physical and chemical properties of 1,2,4-Butanetricarboxylic acid (CAS: 923-42-2)?

1,2,4-Butanetricarboxylic acid is a crystalline solid with a molecular weight of approximately 154.08 g/mol. It is slightly soluble in water but highly soluble in organic solvents like ethanol. Chemically, it is a tricarboxylic acid and exhibits moderate reactivity, particularly in esterification and amide formation reactions.

How is 1,2,4-Butanetricarboxylic acid (CAS: 923-42-2) typically synthesized?

1,2,4-Butanetricarboxylic acid is typically synthesized through the hydration of 1,2,4-butatriene followed by oxidation. The process often uses chromium(VI) salts as catalysts to ensure high selectivity and yield. The reaction is carried out under controlled conditions to optimize product purity and yield.

What industries use 1,2,4-Butanetricarboxylic acid (CAS: 923-42-2)?

1,2,4-Butanetricarboxylic acid is used in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers for plastic production, and in the development of sensors and semiconductors due to its carboxylic acid functionality that is useful in various chemical modifications and reactions.

What precautions should be taken when handling 1,2,4-Butanetricarboxylic acid (CAS: 923-42-2)?

When handling 1,2,4-Butanetricarboxylic acid, protective equipment such as gloves, goggles, and lab coats should be worn to protect against skin and eye irritation. It should be stored in a dry, well-ventilated area, away from heat and sources of ignition. In case of spill, it should be cleaned up carefully according to the Material Safety Data Sheet (MSDS/SDS) guidelines to prevent environmental contamination and exposure risks.