Basic Information | Post buying leads | Suppliers |
Name |
Aceticacid, 2-[3-methyl-4-(1-methylethyl)phenoxy]- |
EINECS | N/A |
CAS No. | 105401-43-2 | Density | 1.09g/cm3 |
PSA | 46.53000 | LogP | 2.58180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H16O3 | Boiling Point | 337.5 °Cat760mmHg |
Molecular Weight | 208.257 | Flash Point | 126.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aceticacid, (o-cym-5-yloxy)- (6CI);Acetic acid, [3-methyl-4-(1-methylethyl)phenoxy]-(9CI);2-[(4-Isopropyl-3-methylphenyl)oxy]acetic acid; |
This chemical is called Aceticacid, 2-[3-methyl-4-(1-methylethyl)phenoxy]-, and its systematic name is [3-methyl-4-(propan-2-yl)phenoxy]acetic acid. With the molecular formula of C12H16O3, its molecular weight is 208.2536. The CAS registry number of this chemical is 105401-43-2.
Other characteristics of the Aceticacid, 2-[3-methyl-4-(1-methylethyl)phenoxy]- can be summarised as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): -0.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.68; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 58.13 cm3; (15)Molar Volume: 190.9 cm3; (16)Polarizability: 23.04×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 126.6 °C; (20)Enthalpy of Vaporization: 61.3 kJ/mol; (21)Boiling Point: 337.5 °C at 760 mmHg; (22)Vapour Pressure: 4.07E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)COc1cc(c(cc1)C(C)C)C
2.InChI: InChI=1/C12H16O3/c1-8(2)11-5-4-10(6-9(11)3)15-7-12(13)14/h4-6,8H,7H2,1-3H3,(H,13,14)
3.InChIKey: KHBZMSZIDSFMDY-UHFFFAOYAS