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Name |
Benzoicacid, 4-methoxy-3-methyl-, methyl ester |
EINECS | N/A |
CAS No. | 70347-04-5 | Density | 1.075 g/cm3 |
PSA | 35.53000 | LogP | 1.79020 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H12O3 | Boiling Point | 269.5 °C at 760 mmHg |
Molecular Weight | 180.203 | Flash Point | 107.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
p-Anisicacid, 3-methyl-, methyl ester (7CI);Methyl 4-methoxy-3-methylbenzoate; |
Article Data | 7 |
The Benzoicacid, 4-methoxy-3-methyl-, methyl ester is an organic compound with the formula C10H12O3. Its CAS registry number is 70347-04-5. The IUPAC name of this chemical is Methyl 4-methoxy-3-methylbenzoate. In addition, the molecular weight is 180.2. It belongs to the product categories of Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates.
Physical properties about Benzoicacid, 4-methoxy-3-methyl-, methyl ester are: (1)ACD/LogP: 2.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 69.96; (6)ACD/BCF (pH 7.4): 69.96; (7)ACD/KOC (pH 5.5): 728.05; (8)ACD/KOC (pH 7.4): 728.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 49.52 cm3; (15)Molar Volume: 167.6 cm3; (16)Polarizability: 19.63×10-24 cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 1.075 g/cm3; (19)Flash Point: 107.5 °C; (20)Enthalpy of Vaporization: 50.76 kJ/mol; (21)Boiling Point: 269.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00723 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(ccc1OC)C(=O)OC
(2) InChI: InChI=1/C10H12O3/c1-7-6-8(10(11)13-3)4-5-9(7)12-2/h4-6H,1-3H3
(3) InChIKey: NRJGLTXKVDHVPG-UHFFFAOYAM