Cas no 616-88-6 (Propanedioic acid,2-pentyl-)

Propanedioic acid,2-pentyl- structure
Propanedioic acid,2-pentyl- structure
Product Name:Propanedioic acid,2-pentyl-
CAS No:616-88-6
MF:C8H14O4
MW:174.194363117218
CID:510168
PubChem ID:12034
Update Time:2025-04-19

Propanedioic acid,2-pentyl- Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-pentyl-
    • N-PENTYLMALONIC ACID
    • 1,1-Amylmalonsaeure
    • 2-Carboxyheptansaeure
    • 2-n-pentyl malonic acid
    • Isoamyl-n-amylsulfid
    • n-Amyl-isoamylsulfid
    • n-Pentyl-iso-pentylsulfid
    • n-Pentyl-malonsaeure
    • pentyl-malonic acid
    • Pentyl-malonsaeure
    • Sulfide,isopentyl pentyl
    • NSC521917
    • 2-pentylpropanedioic acid
    • SCHEMBL268595
    • 2-Pentylmalonate
    • hexandicarbonsaure
    • Propanedioic acid, pentyl-
    • 2-pentyl-propanedioic acid
    • 616-88-6
    • DTXSID90210611
    • NSC 521917
    • 2-Pentylmalonic acid
    • 1,1-Hexanedicarboxylic acid
    • NSC-521917
    • AKOS006275698
    • n-Pentylmalonate
    • Malonic acid, pentyl-
    • Inchi： 1S/C8H14O4/c1-2-3-4-5-6(7(9)10)8(11)12/h6H,2-5H2,1H3,(H,9,10)(H,11,12)
    • InChI Key： LAWHHRXCBUNWFI-UHFFFAOYSA-N
    • SMILES： OC(C(C(=O)O)CCCCC)=O

Computed Properties

  • Exact Mass: 174.08900
  • Monoisotopic Mass: 174.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 150
  • 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: 1.5
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.60000
  • LogP: 1.35210

Propanedioic acid,2-pentyl- Customs Data

  • HS CODE：2917190090
  • Customs Data：

    China Customs Code:

    2917190090

    Overview:

    2917190090 Other acyclic 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:

    2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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