Cas no 40809-41-4 (rac Mono(5-carboxy-2-ethylpentyl) Phthalate)

rac Mono(5-carboxy-2-ethylpentyl) Phthalate structure
40809-41-4 structure
Product Name:rac Mono(5-carboxy-2-ethylpentyl) Phthalate
CAS No:40809-41-4
MF:C16H20O6
MW:308.326405525208
CID:331942
PubChem ID:148386
Update Time:2025-04-19

rac Mono(5-carboxy-2-ethylpentyl) Phthalate Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylicacid, 1-(5-carboxy-2-ethylpentyl) ester
    • rac Mono(5-carboxy-2-ethylpentyl) Phthalate
    • 2-(5-carboxy-2-ethylpentoxy)carbonylbenzoic acid
    • phthalic acid mono(5-carboxy-2-ethylpentyl)ester
    • 2-Ethyl-5-carboxypentyl phthalate
    • CHEBI:132611
    • mono-(2-ethyl-5-carboxypentyl) phthalate
    • MeCpp
    • 5-cx-MEPP
    • Mono(5-carboxy-2-ethylpentyl) phthalate
    • Q27225619
    • DTXSID20873152
    • SCHEMBL15647174
    • 1,2-Benzenedicarboxylic acid, mono(5-carboxy-2-ethylpentyl) ester
    • 40809-41-4
    • 2-(5-carboxy-2-ethyl-pentoxy)carbonylbenzoic acid
    • CCRIS 4305
    • CS-0128983
    • 2-{[(5-carboxy-2-ethylpentyl)oxy]carbonyl}benzoic acid
    • NS00077005
    • phthalic acid, mono(5-carboxy-2-ethylpentyl) ester
    • FT-0672459
    • HY-133675
    • 1,2-Benzenedicarboxylic Acid Mono(5-carboxy-2-ethylpentyl) Ester
    • mono(2-ethyl-5-carboxypentyl) phthalate
    • G13162
    • Inchi: 1S/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)
    • InChI Key: XFGRNAPKLGXDGF-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1C(=O)O)=O)CC(CC)CCCC(=O)O

Computed Properties

  • Exact Mass: 308.12600
  • Monoisotopic Mass: 308.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 10
  • Complexity: 392
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 101A^2
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 516.1±35.0 °C at 760 mmHg
  • Flash Point: 188.2±19.4 °C
  • Refractive Index: 1.542
  • Stability/Shelf Life: Very Hygroscopic
  • PSA: 100.90000
  • LogP: 2.82270
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

rac Mono(5-carboxy-2-ethylpentyl) Phthalate Pricemore >>

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