Product Name

  • Name

    2,4-Di(tert-amyl)phenoxyacetic acid

  • EINECS 236-494-1
  • CAS No. 13402-96-5
  • Article Data3
  • CAS DataBase
  • Density 1.004g/cm3
  • Solubility
  • Melting Point 125-127 °C(lit.)
  • Formula C18H28O3
  • Boiling Point 391.1°Cat760mmHg
  • Molecular Weight 292.419
  • Flash Point 129.8°C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 13402-96-5 (2,4-Di(tert-amyl)phenoxyacetic acid)
  • Hazard Symbols IrritantXi
  • Synonyms Aceticacid, (2,4-di-tert-pentylphenoxy)- (6CI,7CI,8CI);Acetic acid,[2,4-bis(1,1-dimethylpropyl)phenoxy]- (9CI);2,4-Bis(1,1-dimethylpropyl)phenoxyacetic acid;2,4-Di-tert-amylphenoxyaceticacid;2-(2,4-Di-tert-amylphenoxy)acetic acid;
  • PSA 46.53000
  • LogP 4.52520

2,4-Di(tert-amyl)phenoxyacetic acid Chemical Properties

IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetic acid 
Empirical Formula: C18H28O3
Molecular Weight: 292.4131 
EINECS: 236-494-1
Structure of Acetic acid,2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (CAS NO.13402-96-5):

Index of Refraction: 1.497
Molar Refractivity: 85.16 cm3
Molar Volume: 290.9 cm3
Polarizability: 33.76×10-24cm3
Surface Tension: 33.7 dyne/cm
Density: 1.004 g/cm3
Flash Point: 129.8 °C
Enthalpy of Vaporization: 67.57 kJ/mol 
Melting Point: 125-127 °C(lit.)
Boiling Point: 391.1 °C at 760 mmHg
Vapour Pressure: 8.09E-07 mmHg at 25°C 
Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)C(C)(C)CC
InChI: InChI=1S/C18H28O3/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3,(H,19,20)
InChIKey: QXQMENSTZKYZCE-UHFFFAOYSA-N

2,4-Di(tert-amyl)phenoxyacetic acid Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3

2,4-Di(tert-amyl)phenoxyacetic acid Specification

  Acetic acid,2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- , its cas register number is 13402-96-5. It also can be called [2,4-Bis(2-methylbutan-2-yl)phenoxy]acetic acid ; (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid ; (2,4-Di-tert-pentylphenoxy)acetic acid ; 2,4-Di(tert-amyl)phenoxyacetic acid .

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