Benzoic acid,4-(1-methylethoxy)-, methyl ester supplier

Name
4-ISOPROPOXYBENZOIC ACID METHYL ESTER
EINECS 252-740-0
CAS No. 35826-59-6
Article Data10
CAS DataBase
Density 1.051 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₃
Boiling Point 276.9 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 111 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl p-isopropoxybenzoate;Methyl 4-(1-methylethoxy)benzoate;4-Isopropoxybenzoic acid methyl ester;Methyl 4-propan-2-yloxybenzoate;
PSA 35.53000
LogP 2.26040

Benzoic acid,4-(1-methylethoxy)-, methyl ester Specification

The Benzoic acid,4-(1-methylethoxy)-, methyl ester, with the CAS registry number 35826-59-6, is also known as 4-Isopropoxybenzoic acid methyl ester. This chemical's molecular formula is C₁₁H₁₄O₃ and molecular weight is 194.23. What's more, its systematic name is methyl 4-(1-Methylethoxy)benzoate and it belongs to the product categories of Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates. In addition, its EINECS number is 252-740-0.

Physical properties of Benzoic acid,4-(1-methylethoxy)-, methyl ester are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 145.56; (6)ACD/BCF (pH 7.4): 145.56; (7)ACD/KOC (pH 5.5): 1230.03; (8)ACD/KOC (pH 7.4): 1230.03; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 53.92 cm³; (15)Molar Volume: 184.7 cm³; (16)Polarizability: 21.37×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.051 g/cm³; (19)Flash Point: 111 °C; (20)Enthalpy of Vaporization: 51.54 kJ/mol; (21)Boiling Point: 276.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00468 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)OC1=CC=C(C=C1)C(=O)OC
(2)InChI: InChI=1S/C11H14O3/c1-8(2)14-10-6-4-9(5-7-10)11(12)13-3/h4-8H,1-3H3
(3)InChIKey: ROEMZKPINYTSKV-UHFFFAOYSA-N

Product Name

4-ISOPROPOXYBENZOIC ACID METHYL ESTER

Benzoic acid,4-(1-methylethoxy)-, methyl ester Specification

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