Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoic acid, 3-hydroxy-4-methyl-, methyl ester |
EINECS | N/A |
CAS No. | 3556-86-3 | Density | 1.169 g/cm3 |
PSA | 46.53000 | LogP | 1.48720 |
Solubility | N/A | Melting Point |
119.0-120.5 °C |
Formula | C9H10O3 | Boiling Point | 294.6 °C at 760 mmHg |
Molecular Weight | 166.177 | Flash Point | 128.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,4-Cresoticacid, methyl ester (6CI,7CI,8CI);3-Hydroxy-4-methylbenzoic acid methyl ester;Methyl 3-hydroxy-4-methylbenzoate;Methyl 4-methyl-3-hydroxybenzoate;NSC604566; |
Article Data | 22 |
This chemical is called Benzoic acid, 3-hydroxy-4-methyl-, methyl ester, and its systematic name is Methyl 3-hydroxy-4-methylbenzoate. With the molecular formula of C9H10O3, its molecular weight is 166.17. The CAS registry number of this chemical is 3556-86-3. Additionally, its product categories are Esters; Phenyls & Phenyl-Het.
Other characteristics of the Benzoic acid, 3-hydroxy-4-methyl-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.542; (8)Molar Refractivity: 44.73 cm3; (9)Molar Volume: 142 cm3; (10)Polarizability: 17.73×10-24cm3; (11)Surface Tension: 43.5 dyne/cm; (12)Density: 1.169 g/cm3; (13)Flash Point: 128.9 °C; (14)Enthalpy of Vaporization: 55.57 kJ/mol; (15)Boiling Point: 294.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00091 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1cc(O)c(cc1)C
2.InChI: InChI=1/C9H10O3/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5,10H,1-2H3
3.InChIKey: GCSINTLJUNXLLU-UHFFFAOYAF