Cas no 5406-14-4 ((3,5-Dimethylphenoxy)acetic Acid)

(3,5-Dimethylphenoxy)acetic Acid structure
5406-14-4 structure
Product Name:(3,5-Dimethylphenoxy)acetic Acid
CAS No:5406-14-4
MF:C10H12O3
MW:180.200483322144
CID:376694
PubChem ID:79405
Update Time:2025-04-19

(3,5-Dimethylphenoxy)acetic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3,5-Dimethylphenoxy)acetic acid
    • (3,5-DIMETHYL-PHENOXY)-ACETIC ACID
    • Acetic acid,2-(3,5-dimethylphenoxy)-
    • (3,5-dimethylphenoxy)acetic acid
    • (3,5-Dimethyl-phenoxy)-essigsaeure
    • 2-(3,5-dimethylphenoxy)-acetic acid
    • 3,5-DIMETHYLPHENOXYACETIC ACID
    • 3,5-Xylyloxyacetic acid
    • AC1L2XBM
    • AC1Q2IBR
    • AC1Q2JBC
    • NSC5306
    • O-(3.5-Dimethyl-phenyl)-glykolsaeure
    • O-[3.5]Xylyl-glykolsaeure
    • NSC-5306
    • BB 0217918
    • NS00032936
    • AKOS000103144
    • (3,5-Xylyloxy)acetic acid
    • Acetic acid, (3,5-dimethylphenoxy)-
    • (3,5-xylyloxy)-acetic acid
    • FT-0678128
    • MFCD00021755
    • Z56869402
    • A849080
    • 2-(3,5-dimethylphenoxy)aceticacid
    • CHEMBL174571
    • F97164
    • LVN5RHE3B8
    • AI3-16550
    • NSC 5306
    • EINECS 226-462-5
    • AM807283
    • CS-0117184
    • 5406-14-4
    • EN300-00070
    • VS-01795
    • DTXSID60202381
    • 2-(3,5-dimethylphenoxy) acetic acid
    • UNII-LVN5RHE3B8
    • AE-848/01262064
    • SCHEMBL1613109
    • ALBB-000803
    • Acetic acid, 2-(3,5-dimethylphenoxy)-
    • BBL008038
    • STK121224
    • (3,5-Dimethylphenoxy)acetic Acid
    • MDL: MFCD00021755
    • Inchi: 1S/C10H12O3/c1-7-3-8(2)5-9(4-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
    • InChI Key: NIPZZANLNKBKIS-UHFFFAOYSA-N
    • SMILES: O(CC(=O)O)C1C=C(C)C=C(C)C=1

Computed Properties

  • Exact Mass: 180.07866
  • Monoisotopic Mass: 180.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 169
  • 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
  • Topological Polar Surface Area: 46.5A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 1.146
  • Boiling Point: 320.5°Cat760mmHg
  • Flash Point: 126.8°C
  • PSA: 46.53

(3,5-Dimethylphenoxy)acetic Acid Security Information

  • HazardClass:IRRITANT

(3,5-Dimethylphenoxy)acetic Acid Pricemore >>

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