3-Carboxyhexanedioic acid

3-Carboxyhexanedioic acid - Names and Identifiers

Name	butane-1,2,4-tricarboxylic acid
Synonyms	NSC 8447 NSC 60127 3-Carboxyadipic acid 1,2,4-Tricarboxybutane 3-Carboxyhexanedioic acid 1,2,4-Butanetricarboxylic acid 1,2,4-BUTANETRICARBOXYLIC ACID Butane-1,2,4-tricarboxylic acid butane-1,2,4-tricarboxylic acid 2-[[(carboxymethylthio)-phenylmethyl]amino]benzoic acid
CAS	923-42-2
InChI	InChI=1/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

3-Carboxyhexanedioic acid - Physico-chemical Properties

Molecular Formula	C7H10O6
Molar Mass	190.15
Density	1.481±0.06 g/cm3(Predicted)
Melting Point	117-120 °C (lit.)
Boling Point	116-117 °C(Press: 1 Torr)
Flash Point	178.4°C
Vapor Presure	9.12E-06mmHg at 25°C
pKa	4.31±0.23(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.521

3-Carboxyhexanedioic acid - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing.
WGK Germany	3

3-Carboxyhexanedioic acid - Introduction

Butane -1,2,4-tricarboxylic acid is an organic compound with the chemical formula C7H10O6. It is a solid, colorless crystalline or crystalline powder.

The properties of the compound are as follows:
1. melting point: about 185-189 degrees Celsius;
2. boiling point: no significant decomposition under standard atmospheric pressure;
3. Solubility: Low solubility in water, but quite soluble in organic solvents (such as alcohols and ethers).

Butane -1,2,4-tricarboxylic acid has many applications in the chemical industry:
1. It can be used as an intermediate in organic synthesis for the preparation of other organic compounds;
2. It is an antioxidant and can be used in the rubber and plastic industries;
3. It can also be used in the production of dyes and cosmetics.

The method of preparing butane-1,2,4-tricarboxylic acid is as follows:
1. First, 1,2, 4-butene triacid is obtained by oxidizing carbon compounds (such as benzene, propylene and isobutylene);
2. Then, 1,2, 4-butene triacid is converted into its tricarboxylic acid through partial hydroformylation.

Regarding safety information, the impact of butane-1,2,4-tricarboxylic acid on human health and the environment is not fully understood. There are no established results on its acute toxicity, teratogenicity and carcinogenicity. However, as a chemical substance, appropriate protective measures should be taken, such as wearing protective gloves and respirators, to avoid contact and inhalation. In addition, it shall comply with relevant safety regulations during storage and transportation. In the event of an accidental leak, it should be dealt with in accordance with the relevant emergency response procedures. When using this compound, all applicable safety practices should be followed.

Last Update：2024-04-09 21:01:54