925-03-1

Basic information

• Product Name: propyl hydrogen maleate
• Synonyms: propyl hydrogen maleate;(Z)-2-Butenedioic acid 1-propyl ester;(Z)-2-Butenedioic acid hydrogen 1-propyl ester;Maleic acid hydrogen 1-propyl ester;Monopropyl cis-ethylene-1,2-dicarboxylate;Monopropyl maleate
• CAS NO: 925-03-1
• Molecular Formula: C₇H₁₀O₄
• Molecular Weight: 176.16718
• EINECS: 213-111-6
• Mol File: 925-03-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 274.9°Cat760mmHg
• Flash Point: 111.4°C
• Appearance: /
• Density: 1.164g/cm³
• Vapor Pressure: 0.00144mmHg at 25°C
• Refractive Index: 1.469
• PKA: 2.58±0.25(Predicted)
• CAS DataBase Reference: propyl hydrogen maleate(CAS DataBase Reference)
• NIST Chemistry Reference: propyl hydrogen maleate(925-03-1)
• EPA Substance Registry System: propyl hydrogen maleate(925-03-1)

Safety Data

• Hazardous Substances Data: 925-03-1(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 26, p. 697, 1961 DOI: 10.1021/jo01062a012

InChI:InChI=1/C7H10O4/c1-2-5-11-7(10)4-3-6(8)9/h3-4H,2,5H2,1H3,(H,8,9)/b4-3-

Upstream product

• 108-31-6 maleic anhydride 
• 71-23-8 propan-1-ol 
• 110-17-8 (2E)-but-2-enedioic acid 

Downstream Products

• 1584188-11-3 4-(methoxycarbonyl) phenyl propyl fumarate 

Relevant articles and documents

Synthesis, DFT and antimicrobial activity assays in vitro for novel cis/trans-but-2-enedioic acid esters

Six novel cis/trans-but-2-enedioic acid esters had been synthesized to discover the new bioactive molecules that could kill food-related bacteria and fungi. Their structures were analyzed by melting point, LC-MS, 1H NMR and 13C NMR. 4-(Methoxycarbonyl) phenyl ethyl fumarate (6b) was also characterized by single-crystal X-ray diffraction. Their antimicrobial activities were evaluated in vitro by measuring the minimal inhibitory concentration (MIC). Compared with the single monomethyl fumarate and methyl 4-hydroxybenzoate, these compounds had stronger antimicrobial activity against all the eight microorganisms. Among the antibacterial and antifungal compounds, 4-(methoxycarbonyl) phenyl methyl fumarate (6a) showed the best antimicrobial activity. The electronic properties of these compounds were calculated by the density functional theory (DFT) method with 6-31G (d, p) basis set. DFT studies indicated that molecular electrostatic potential (MEP) map, ELUMO, energy gap, electronegativity and electrophilicity index could be helpful to understand the various antimicrobial activities among these compounds. The antimicrobial activity of compound 6a was evaluated in vitro against Salmonella choleraesuis subsp. choleraesuis, Lactococcus lactis subsp. lactis and Saccharomyces cerevisiae by time-kill, and it was found that compound 6a exhibited significant microbiocidal activity against the three microorganisms.

Irreversible blockage of opioid receptor types by ester homologues of β-funaltrexamine

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