Name: METHYL 3,5-DIISOPROPYLOXYBENZOATE
SKU: 94169-62-7

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Basic Information

Molecular Structure:
CAS No.:	94169-62-7
Name:	METHYL 3,5-DIISOPROPYLOXYBENZOATE
Article Data:	6

Formula:	C₁₄H₂₀O₄
Molecular Weight:	252.31
Synonyms:	Methyl 3,5-di(propan-2-yloxy)benzoate;
Density:	1.042 g/cm³
Boiling Point:	344.2 °C at 760 mmHg
Flash Point:	148.8 °C
PSA:	44.76000
LogP:	3.04760

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Specification

The Benzoic acid,3,5-bis(1-methylethoxy)-, methyl ester, with the CAS registry number 94169-62-7, is also known as Methyl 3,5-di(propan-2-yloxy)benzoate. It belongs to the product categories of Esters; Phenyls & Phenyl-Het. This chemical's molecular formula is C₁₄H₂₀O₄ and molecular weight is 252.31. What's more, its systematic name is methyl 3,5-diisopropoxybenzoate.

Physical properties of Benzoic acid,3,5-bis(1-methylethoxy)-, methyl ester are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.61; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 44.76 Å²; (9)Index of Refraction: 1.488; (10)Molar Refractivity: 69.83 cm³; (11)Molar Volume: 242.1 cm³; (12)Polarizability: 27.68×10^-24cm³; (13)Surface Tension: 32.7 dyne/cm; (14)Density: 1.042 g/cm³; (15)Flash Point: 148.8 °C; (16)Enthalpy of Vaporization: 58.81 kJ/mol; (17)Boiling Point: 344.2 °C at 760 mmHg; (18)Vapour Pressure: 6.7E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C14H20O4/c1-9(2)17-12-6-11(14(15)16-5)7-13(8-12)18-10(3)4/h6-10H,1-5H3
(2)InChIKey: IENVJGGBZFULPX-UHFFFAOYSA-N
(3)Canonical SMILES: CC(C)OC1=CC(=CC(=C1)C(=O)OC)OC(C)C