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

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Name

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

EINECS 252-740-0
CAS No. 35826-59-6 Density 1.051 g/cm3
PSA 35.53000 LogP 2.26040
Solubility N/A Melting Point N/A
Formula C11H14O3 Boiling Point 276.9 °C at 760 mmHg
Molecular Weight 194.23 Flash Point 111 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 35826-59-6 (4-ISOPROPOXYBENZOIC ACID METHYL ESTER) Hazard Symbols N/A
Synonyms

Methyl p-isopropoxybenzoate;Methyl 4-(1-methylethoxy)benzoate;4-Isopropoxybenzoic acid methyl ester;Methyl 4-propan-2-yloxybenzoate;

Article Data 10

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: 21.37×10-24 cm3; (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

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