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Aceticacid, 2-[3-methyl-4-(1-methylethyl)phenoxy]-

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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 Molecular Structure of 105401-43-2 ((4-ISOPROPYL-3-METHYL-PHENOXY)-ACETIC ACID) 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;

 

Aceticacid, 2-[3-methyl-4-(1-methylethyl)phenoxy]- Specification

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

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