Cas no 21395-09-5 (1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester)

1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester structure
21395-09-5 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester
CAS No:21395-09-5
MF:C16H22O4
MW:278.343485355377
CID:285679
PubChem ID:109265
Update Time:2025-04-19

1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester
    • (+/-)-MONO-2-OCTYL PHTHALATE
    • 2-OCTAN-2-YLOXYCARBONYLBENZOIC ACID
    • (+)-MONO(2-OCTYL) PHTHALATE
    • BRD-A51016824-001-07-0
    • SCHEMBL3782139
    • MLS000757214
    • 1-METHYLHEPTYL 2-CARBOXYBENZOATE
    • phthalic acid mono-(1-methyl-heptyl) ester
    • NSC524615
    • DivK1c_002067
    • (1)-2-Octyl hydrogen phthalate
    • AKOS021983160
    • CHEMBL1452262
    • 2-[(OCTAN-2-YLOXY)CARBONYL]BENZOIC ACID
    • Mono(1-methylheptyl) phthalate
    • AKOS001483096
    • CDS1_001027
    • SR-01000388950-1
    • 1,2-Benzenedicarboxylic acid, mono(1-methylheptyl) ester, (.+/-.)-
    • NSC 524615
    • EINECS 269-536-2
    • SMR000529045
    • SR-01000388950
    • NSC-524615
    • DUJBEEUYBSLMGM-UHFFFAOYSA-N
    • 2-(1-methylheptoxycarbonyl)benzoic acid
    • 2-[octan-2-yloxy(oxo)methyl]benzoic acid
    • A815307
    • Maybridge1_005779
    • NCGC00246829-01
    • 1,2-Benzenedicarboxylic acid, mono(1-methylheptyl) ester
    • 68296-97-9
    • 1,2-Benzenedicarboxylic acid, 1-(1-methylheptyl) ester
    • HMS557O15
    • DTXSID60887314
    • 21395-09-5
    • DL-2-Octyl phthalate
    • FT-0604477
    • CCG-249349
    • 2-((octan-2-yloxy)carbonyl)benzoic acid
    • Inchi： 1S/C16H22O4/c1-3-4-5-6-9-12(2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)
    • InChI Key： DUJBEEUYBSLMGM-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1C(=O)O)=O)C(C)CCCCCC

Computed Properties

  • Exact Mass: 278.15200
  • Monoisotopic Mass: 278.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 9
  • Complexity: 314
  • 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
  • XLogP3: 4.2
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Density: 1.088
  • Boiling Point: 408.9°Cat760mmHg
  • Flash Point: 144.1°C
  • Refractive Index: 1.516
  • PSA: 63.60000
  • LogP: 3.90050

1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester Customs Data

  • HS CODE：2917399090
  • Customs Data：

    China Customs Code:

    2917399090

    Overview:

    2917399090 Other aromatic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester Related Literature

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