Monooctyl Maleate - ≥95% , CAS No.2370-71-0

CAS: 2370-71-0 Cat. No.: M158588 Molecular Weight: 228.29 EC Number: 678-603-9

GRADE & PURITY ≥95%

Synonyms

EINECS 231-048-2 | (Z)-4-((2-Ethylhexyl)oxy)-4-oxobut-2-enoic acid | M0615 | MALEICACIDMONO(2-ETHYLHEXYL)ESTER | (Z)-4-(2-ethylhexoxy)-4-oxobut-2-enoic acid | Monooctyl Maleate | UNII-E7TL2X86W8 | Q27276982 | IQBLWPLYPNOTJC-FPLPWBNLSA-N | SCHEMBL242750 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EINECS 231-048-2 | (Z)-4-((2-Ethylhexyl)oxy)-4-oxobut-2-enoic acid | M0615 | MALEICACIDMONO(2-ETHYLHEXYL)ESTER | (Z)-4-(2-ethylhexoxy)-4-oxobut-2-enoic acid | Monooctyl Maleate | UNII-E7TL2X86W8 | Q27276982 | IQBLWPLYPNOTJC-FPLPWBNLSA-N | SCHEMBL242750 |

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504763745
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763745
• Canonical Smiles: CCCCC(CC)COC(=O)C=CC(=O)O
• IUPAC Name: (Z)-4-(2-ethylhexoxy)-4-oxobut-2-enoic acid
• InChIKey: IQBLWPLYPNOTJC-FPLPWBNLSA-N
• INCHI: 1S/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7-
• Isomeric SMILES: CCCCC(CC)COC(=O)/C=C\C(=O)O
• Molecular Weight: 228.29
• Reaxy-Rn: 35631566
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35631566&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Branched fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Enoate esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Branched fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air sensitive;Heat sensitive
• Refractive Index: 1.46
• Flash Point(°C): 137 °C
• Molecular Weight: 228.280 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 228.136 Da
• Monoisotopic Mass: 228.136 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 245.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1