1-Methylpropyl (4-chloro-2-methylphenoxy)acetate supplier

Name
1-Methylpropyl (4-chloro-2-methylphenoxy)acetate
EINECS 267-294-2
CAS No. 67829-78-1
Density 1.125 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇ClO₃
Boiling Point 326.6 °C at 760 mmHg
Molecular Weight 256.7253
Flash Point 121.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butan-2-yl 2-(4-chloro-2-methyl-phenoxy)acetate;(4-Chloro-2-methylphenoxy)acetic acid 1-methylpropyl ester;
PSA 35.53000
LogP 3.36890

1-Methylpropyl (4-chloro-2-methylphenoxy)acetate Specification

The IUPAC name of 1-Methylpropyl (4-chloro-2-methylphenoxy)acetate is butan-2-yl 2-(4-chloro-2-methylphenoxy)acetate. With the CAS registry number 67829-78-1, it is also named as (4-Chloro-2-methylphenoxy)acetic acid 1-methylpropyl ester. In addition, its molecular formula is C₁₃H₁₇ClO₃ and molecular weight is 256.7253.

The other characteristics of 1-Methylpropyl (4-chloro-2-methylphenoxy)acetate can be summarized as: (1)EINECS: 267-294-2; (2)ACD/LogP: 3.97; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.97; (5)ACD/LogD (pH 7.4): 3.97; (6)ACD/BCF (pH 5.5): 607.87; (7)ACD/BCF (pH 7.4): 607.87; (8)ACD/KOC (pH 5.5): 3421.8; (9)ACD/KOC (pH 7.4): 3421.8; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 6; (13)Polar Surface Area: 35.53 Å²; (14)Index of Refraction: 1.504; (15)Molar Refractivity: 67.54 cm³; (16)Molar Volume: 228 cm³; (17)Polarizability: 26.77×10^-24cm³; (18)Surface Tension: 35.9 dyne/cm; (19)Density: 1.125 g/cm³; (20)Flash Point: 121.7 °C; (21)Enthalpy of Vaporization: 56.89 kJ/mol; (22)Boiling Point: 326.6 °C at 760 mmHg; (23)Vapour Pressure: 0.000213 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(c(OCC(=O)OC(C)CC)cc1)C
(2)InChI: InChI=1/C13H17ClO3/c1-4-10(3)17-13(15)8-16-12-6-5-11(14)7-9(12)2/h5-7,10H,4,8H2,1-3H3
(3)InChIKey: LWONKMHYBQQECY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C13H17ClO3/c1-4-10(3)17-13(15)8-16-12-6-5-11(14)7-9(12)2/h5-7,10H,4,8H2,1-3H3
(5)Std. InChIKey: LWONKMHYBQQECY-UHFFFAOYSA-N

Product Name

1-Methylpropyl (4-chloro-2-methylphenoxy)acetate

1-Methylpropyl (4-chloro-2-methylphenoxy)acetate Specification

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