2,5-Dimethyl-2,4-hexadienedioic acid

Base Information

• Chemical Name: 2,5-Dimethyl-2,4-hexadienedioic acid
• CAS No.: 20514-41-4
• Molecular Formula: C8H10 O4
• Molecular Weight: 170.16
• Hs Code.: 2917190090
• Nikkaji Number: J2.925.269F,J236.020I,J2.321.855K
• Mol file: 20514-41-4.mol

Synonyms:20514-41-4;2,5-Dimethyl-2,4-hexadienedioic acid;(2E,4E)-2,5-dimethylhexa-2,4-dienedioic acid;2,4-Hexadienedioic acid, 2,5-dimethyl-, (2E,4E)-;alpha,alpha'-Dimethylmuconic acid;.alpha.,.alpha.'-Dimethylmuconic acid;2,5-dimethylmuconic acid;AKOS024285519;AS-76326;(2E,4E)-2,5-dimethylhexa-2,4-dienedioicacid;(2E,4E)-2,5-Dimethyl-2,4-hexadienedioic acid;(2z,4z)-2,5-dimethyl-2,4-hexadienedioic acid;2,4-Hexadienedioicacid,2,5-dimethyl-,(E,E)-(8ci,9ci)

Chemical Property of 2,5-Dimethyl-2,4-hexadienedioic acid

Chemical Property:

• Vapor Pressure: 7.25E-06mmHg at 25°C
• Melting Point: 220-222°C
• Boiling Point: 351°Cat760mmHg
• PKA: 4.03±0.19(Predicted)
• Flash Point: 180.3°C
• PSA: 74.60000
• Density: 1.245g/cm³
• LogP: 1.04820
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 170.05790880
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dimethyl-2,4-hexadienedioicacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=C(C)C(=O)O)C(=O)O
• Isomeric SMILES: C/C(=C\C=C(\C(=O)O)/C)/C(=O)O

Technology Process of 2,5-Dimethyl-2,4-hexadienedioic acid

There total 8 articles about 2,5-Dimethyl-2,4-hexadienedioic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,5-dimethyl-hexa-2t,4t-dienedinitrile (56968-92-4) → (E,E)-2,5-dimethylmuconic acid (20514-41-4)

Guidance literature:

With sodium hydroxide;

Reference yield:

dimethylmuconic acid (20514-40-3) → (E,E)-2,5-dimethylmuconic acid (20514-41-4)

Guidance literature:

With sodium hydroxide;

Reference yield:

2,5-diacetoxy-2,5-dimethyl-adipic acid dimethyl ester → (E,E)-2,5-dimethylmuconic acid (20514-41-4)

Guidance literature:

at 280 ℃; beim Erwaermen des Reaktionsprodukts mit wss. Natronlauge;

upstream raw materials:

2,5-dimethyl-hexa-2t,4t-dienedinitrile

dimethylmuconic acid

2,5-dimethyl-hexa-2c,4t-dienedioic acid

2,5-dihydroxy-2,5-dimethyl-adipic acid dimethyl ester

Downstream raw materials:

(E),(E)-2,5-Di(methoxycarbonyl)-hexa-2,4-dien