6628-06-4

Basic information

• Product Name: EINECS 229-606-5
• Synonyms: EINECS 229-606-5;4-Methyl-2-(2-propenyl)phenol;4-Methyl-2-allylphenol;Ai3-10052;Phenol, 4-methyl-2-(2-propenyl)-;4-methyl-2-(prop-2-en-1-yl)phenol
• CAS NO: 6628-06-4
• Molecular Formula: C₁₀H₁₂O
• Molecular Weight: 148.2017
• EINECS: 229-606-5
• Mol File: 6628-06-4.mol
• Article Data: 37

Chemical Properties

• Melting Point: 78.7 °C
• Boiling Point: 237°C (estimate)
• Flash Point: 101.7°C
• Appearance: /
• Density: 0.9990
• Vapor Pressure: 0.0358mmHg at 25°C
• Refractive Index: 1.5385 (estimate)
• PKA: 10.59±0.18(Predicted)
• CAS DataBase Reference: EINECS 229-606-5(CAS DataBase Reference)
• NIST Chemistry Reference: EINECS 229-606-5(6628-06-4)
• EPA Substance Registry System: EINECS 229-606-5(6628-06-4)

Safety Data

• Hazardous Substances Data: 6628-06-4(Hazardous Substances Data)

Usage

General Description

EINECS 229-606-5, also known as 1,3-Dimethyl-2-imidazolidinone, is a chemical compound used primarily as a solvent in various industrial and commercial applications. It is a colorless, high-boiling, and polar solvent that is known for its high solvency power and low vapor pressure. This chemical is commonly used in the production of resins, dyes, and pharmaceuticals, as well as in the manufacturing of plastics, adhesives, and cleaning products. EINECS 229-606-5 is also utilized in the formulation of various personal care products such as cosmetics and skincare items. While it has many industrial uses, it is important to handle and use this chemical with caution to prevent any potential health and environmental risks.

InChI:InChI=1/C10H12O/c1-3-4-9-7-8(2)5-6-10(9)11/h3,5-7,11H,1,4H2,2H3

Upstream product

• 126-33-0 sulfolane 
• 23431-48-3 allyl p-tolyl ether 
• 111-65-9 octane 
• 111-90-0 ethoxyethoxyethanol 
• 111-69-3 hexanedinitrile 
• 107-21-1 ethylene glycol 
• 101-84-8 diphenylether 
• 64-19-7 acetic acid 
• 100-47-0 benzonitrile 
• 108-95-2 phenol 
• 2059-43-0 4-allyl-4-methylcyclohexa-2,5-dien-1-one 
• 106-44-5 p-cresol 
• 504-63-2 trimethyleneglycol 
• 107-05-1 3-chloroprop-1-ene 

Downstream Products

• 114035-62-0 4-methyl-2-(morpholinomethyl)-6-allylphenol 
• 500547-70-6 acetic acid-(2-allyl-4-methyl-phenyl ester) 
• 51496-25-4 3-allyl-4-allyloxytoluene 
• 39835-02-4 2-Allyl-4-methylphenyl-diaethylphosphat 
• 53889-94-4 4-methyl-2-(prop-1-enyl)phenol 
• 865759-98-4 2-allyl-1-(2-chloroethoxy)-4-methylbenzene 
• 62155-74-2 1-(2-methoxy-5-methyl)-phenyl propan-2-one 
• 96700-44-6 1-(2-methoxy-5-methyl)-phenyl propan-2-ol 
• 96700-46-8 3-hydroxy-3-methyl-4-(2-methoxy-5-methyl)-phenyl butanoic acid 
• 96682-16-5 4-methyl-5-(2-methoxy-5-methyl)-phenyl-furan-2-one 
• 96700-45-7 3-Hydroxy-4-(2-methoxy-5-methyl-phenyl)-3-methyl-butyric acid ethyl ester 
• 3722-74-5 3,4-Dihydro-6-methyl-2H-1-benzopyran 
• 26509-49-9 4-methyl-2,6-dibutyrylphenol 
• 26509-48-8 4-Hydroxy-1-methyl-5-propyl-3-allyl-benzol 

Relevant articles and documents

Allylphenols as a new class of human 15-lipoxygenase-1 inhibitors

In this study, a series of mono- and diallylphenol derivative were designed, synthesized, and evaluated as potential human 15-lipoxygenase-1 (15-hLOX-1) inhibitors. Radical scavenging potency of the synthetic allylphenol derivatives was assessed and the results were in accordance with lipoxygenase (LOX) inhibition potency. It was found that the electronic natures of allyl moiety and para substituents play the main role in radical scavenging activity and subsequently LOX inhibition potency of the synthetic inhibitors. Among the synthetic compounds, 2,6-diallyl-4-(hexyloxy)phenol (42) and 2,6-diallyl-4-aminophenol (47) showed the best results for LOX inhibition (IC50 = 0.88 and 0.80 μM, respectively).

Profiling of LINS01 compounds at human dopamine D2 and D3 receptors

Abstract: Histamine and dopamine neuronal pathways display interesting overlapping in the CNS, especially in the limbic areas, making them very attractive to designing drugs with synergistic and/or additive effects. The roles of these systems to treat schizophrenia, drug addiction, Parkinson’s and Alzheimer’s diseases, among others are widely known. The LINS01 compounds were previously reported as histamine H3 receptor (H3R) antagonists and some of them are under evaluation in rodent memory models. Considering their pharmacological potential and similarities to literature dopamine D2 receptor (D2R) and dopamine D3 receptor (D3R) ligands, this work aimed to evaluate these compounds as ligands these receptors by using [3H]spiperone displacement assays. A set of 11 compounds containing the dihydrobenzofuranyl-piperazine core with substituents at 5-position of dihydrobenzofuran ring and at the piperazine nitrogen was examined. The compounds showed low to moderate affinities at both, D2R and D3R. N-Phenyl compounds LINS01005 (1d), LINS01011 (1h), LINS01012 (1i) and LINS01016 (1k) showed the highest affinities in the set to D3R (Ki 0.3–1.5 μM), indicating that N-phenylpiperazine moiety increases the affinity to this receptor subtype with some selectivity, since they showed lower affinities to D2R (Ki 1.3–5.5 μM). With the LINS01 compounds showing moderate binding affinity, new lead structures for optimization with regards to combined H3R and D2R/D3R-ligands are provided. Graphic abstract: Histamine and dopamine neuronal pathways display interesting overlapping in the CNS, and thus LINS01 compounds previously reported as histamine H3 receptor antagonists were evaluated as dopamine D2R and D3R ligands. The compounds showed micromolar affinities to both receptors[Figure not available: see fulltext.].

Pharmacological and SAR analysis of the LINS01 compounds at the human histamine H1, H2, and H3 receptors

Histamine is a transmitter that activates the four receptors H1R to H4R. The H3R is found in the nervous system as an autoreceptor and heteroreceptor, and controls the release of neurotransmitters, making it a potential drug target for neuropsychiatric conditions. We have previously reported that the 1-(2,3-dihydro-1-benzofuran-2-yl)methylpiperazines (LINS01 compounds) have the selectivity for the H3R over the H4R. Here, we describe their pharmacological properties at the human H1R and H2R in parallel with the H3R, thus providing a full analysis of these compounds as histamine receptor ligands through reporter gene assays. Eight of the nine LINS01 compounds inhibited H3R-induced histamine responses, but no inhibition of H2R-induced responses was seen. Three compounds were weakly able to inhibit H1R-induced responses. No agonist responses were seen to any of the compounds at any receptor. SAR analysis shows that the N-methyl group improves H3R affinity while the N-phenyl group is detrimental. The methoxy derivative, LINS01009, had the highest affinity.