Phenol,4-(2,2-dimethoxyethyl)- supplier

Name
4-(2,2-DIMETHOXY-ETHYL)-PHENOL
EINECS
CAS No. 74447-40-8
Article Data1
CAS DataBase
Density 1.092 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄O₃
Boiling Point 257.5 °C at 760 mmHg
Molecular Weight 182.219
Flash Point 109.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2,2-Dimethoxyethyl)phenol;4-(2,2-dimethoxyethyl)phenol;
PSA 38.69000
LogP 1.55360

Phenol,4-(2,2-dimethoxyethyl)- Specification

The Phenol,4-(2,2-dimethoxyethyl)-, with the CAS registry number 74447-40-8, has the systematic name of 4-(2,2-dimethoxyethyl)phenol. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₀H₁₄O₃.

The characteristics of Phenol,4-(2,2-dimethoxyethyl)- are as followings: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 6.11; (6)ACD/BCF (pH 7.4): 6.1; (7)ACD/KOC (pH 5.5): 127.21; (8)ACD/KOC (pH 7.4): 126.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.69 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 50.39 cm³; (15)Molar Volume: 166.7 cm³; (16)Polarizability: 19.97×10^-24cm³; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.092 g/cm³; (19)Flash Point: 109.6 °C; (20)Enthalpy of Vaporization: 51.51 kJ/mol; (21)Boiling Point: 257.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00898 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(CC(OC)OC)cc1
(2)InChI: InChI=1/C10H14O3/c1-12-10(13-2)7-8-3-5-9(11)6-4-8/h3-6,10-11H,7H2,1-2H3
(3)InChIKey: VQEKICSZPWLCNF-UHFFFAOYAN

Product Name

4-(2,2-DIMETHOXY-ETHYL)-PHENOL

Phenol,4-(2,2-dimethoxyethyl)- Specification

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