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

Name
(4-ISOPROPYL-3-METHYL-PHENOXY)-ACETIC ACID
EINECS
CAS No. 105401-43-2
Density 1.09g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O₃
Boiling Point 337.5 °Cat760mmHg
Molecular Weight 208.257
Flash Point 126.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (o-cym-5-yloxy)- (6CI);Acetic acid, [3-methyl-4-(1-methylethyl)phenoxy]-(9CI);2-[(4-Isopropyl-3-methylphenyl)oxy]acetic acid;
PSA 46.53000
LogP 2.58180

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

Product Name

(4-ISOPROPYL-3-METHYL-PHENOXY)-ACETIC ACID

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

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