Name: 2,4-Di(tert-amyl)phenoxyacetic acid
SKU: 13402-96-5

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Basic Information

Molecular Structure:
CAS No.:	13402-96-5
Name:	2,4-Di(tert-amyl)phenoxyacetic acid
Article Data:	3

Formula:	C₁₈H₂₈O₃
Molecular Weight:	292.419
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;
EINECS:	236-494-1
Density:	1.004g/cm³
Melting Point:	125-127 °C(lit.)
Boiling Point:	391.1°Cat760mmHg
Flash Point:	129.8°C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	46.53000
LogP:	4.52520

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Chemistry

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

Safety Profile

Hazard Codes: Irritant Xi
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

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 .