Cas no 106610-61-1 (1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester)

1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester structure
106610-61-1 structure
Product Name:1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester
CAS No:106610-61-1
MF:C17H24O4
MW:292.370065689087
CID:187633
PubChem ID:110394
Update Time:2025-04-19

1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester Chemical and Physical Properties

Names and Identifiers

    • 2-(7-methyloctoxycarbonyl)benzoic acid
    • 1,2-Benzenedicarboxylic acid mono(7-methyloctyl) ester
    • 7-Methyl-1-Octanol Phthalate
    • 1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester
    • 106610-61-1
    • phthalic acid monoisononyl ester
    • CHEBI:132593
    • 1-(7-Methyloctyl) 1,2-benzenedicarboxylate
    • 68515-53-7
    • SCHEMBL19837971
    • DTXSID80910057
    • 2-(((7-Methyloctyl)oxy)carbonyl)benzoic acid
    • 1,2-benzenedicarboxylic acid monoisononyl ester
    • 1,2-benzenedicarboxylic acid mono-7-methyloctyl ester
    • Q27225613
    • mono-isononyl phthalate
    • monoisononyl phthalate
    • phthalic acid mono-7-methyloctyl ester
    • mono-7-methyloctyl phthalate
    • EINECS 271-096-1
    • starbld0018826
    • 1,2-Benzenedicarboxylic acid, 1-(7-methyloctyl) ester
    • 2-{[(7-methyloctyl)oxy]carbonyl}benzoic acid
    • Inchi： 1S/C17H24O4/c1-13(2)9-5-3-4-8-12-21-17(20)15-11-7-6-10-14(15)16(18)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19)
    • InChI Key： RNCMBSSLYOAVRT-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1C(=O)O)=O)CCCCCCC(C)C

Computed Properties

  • Exact Mass: 292.16700
  • Monoisotopic Mass: 292.167459
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 10
  • Complexity: 325
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.6
  • Topological Polar Surface Area: 63.6

Experimental Properties

  • Density: 1.073±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: Not available
  • Boiling Point: 421.9±28.0 °C at 760 mmHg
  • Flash Point: 146.5±17.5 °C
  • Solubility: Almost insoluble (0.011 g/l) (25 o C),
  • PSA: 63.60000
  • LogP: 4.14810
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester Security Information

1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B185500-50mg
1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester
 106610-61-1
50mg
 $ 257.00 2023-04-19
TRC
B185500-500mg
1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester
 106610-61-1
500mg
 $ 1958.00 2023-04-19
A2B Chem LLC
AE14320-5mg
7-Methyl-1-Octanol Phthalate
 106610-61-1
5mg
 $538.00 2024-04-20

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