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Basic Information
CAS No.: 13335-71-2
Name: 2,6-Dimethylphenoxyacetic acid
Article Data: 25
Molecular Structure:
Molecular Structure of 13335-71-2 (2,6-Dimethylphenoxyacetic acid)
Formula: C10H12O3
Molecular Weight: 180.203
Synonyms: Aceticacid, (2,6-dimethylphenoxy)- (9CI);Acetic acid, (2,6-xylyloxy)- (6CI,8CI);Acetic acid,2-(2,6-dimethylphenoxy)-;NSC 408599;
EINECS: 430-910-7
Density: 1.146 g/cm3
Melting Point: 137-138°C
Boiling Point: 299.1 °C at 760 mmHg
Flash Point: 116.5 °C
Appearance: white solid
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
PSA: 46.53000
LogP: 1.76680
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Chemistry

IUPAC Name: 2-(2,6-Dimethylphenoxy)acetic acid 
Molecular Formula: C10H12O3
Molecular Weight :180.20 g/mol
Molecular Structure of 2,6-Dimethylphenoxyacetic acid (CAS NO.13335-71-2):

XLogP3: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 180.078644
MonoIsotopic Mass: 180.078644
Topological Polar Surface Area: 46.5
Heavy Atom Count: 13
Canonical SMILES: CC1=C(C(=CC=C1)C)OCC(=O)O
InChI: InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey: MLBCURLNKYKBEQ-UHFFFAOYSA-N
Index of Refraction: 1.533
Molar Refractivity: 48.77 cm3
Molar Volume: 157.1 cm3
Surface Tension: 42.3
Density: 1.146 g/cm3 
Flash Point: 116.5 °C
Enthalpy of Vaporization: 56.92 kJ/mol
Boiling Point: 299.1 °C at 760 mmHg
Vapour Pressure: 0.000545 mmHg at 25°C 
Product Categories: Phenoxyacetic Acids and Alcohols (substituted);Aromatics Compounds;Aromatics

Safety Profile

Hazard Codes :IrritantXi
HazardClass: IRRITANT 

Specification

 2,6-Dimethylphenoxyacetic acid (CAS NO.13335-71-2) is also named as NSC 408599 ; Acetic acid, (2,6-dimethylphenoxy)- (9CI) ; Acetic acid, (2,6-xylyloxy)- (8CI) . 2,6-Dimethylphenoxyacetic acid (CAS NO.13335-71-2) is white solid.