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Basic Information
CAS No.: 2549-90-8
Name: 4-(2-Ethylhexyloxy)-2-hydroxybenzophenone
Molecular Structure:
Molecular Structure of 2549-90-8 (4-(2-Ethylhexyloxy)-2-hydroxybenzophenone)
Formula: C21H26 O3
Molecular Weight: 326.436
Synonyms: Benzophenone,4-[(2-ethylhexyl)oxy]-2-hydroxy- (7CI,8CI);2-Hydroxy-4-[(2-ethylhexyl)oxy]benzophenone; 4-(2-Ethylhexyloxy)-2-hydroxybenzophenone;UF 5; Uvinul 408
Density: 1.067g/cm3
Boiling Point: 453.1°C at 760 mmHg
Flash Point: 153°C
Safety: A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 46.53000
LogP: 5.21840
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Chemistry

Molecule structure of 4-(2-Ethylhexyloxy)-2-hydroxybenzo-phenone (CAS NO.2549-90-8) :

IUPAC Name: [4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone 
Molecular Weight: 326.42934 g/mol
Molecular Formula: C21H26O3 
Density: 1.067 g/cm3 
Boiling Point: 453.1 °C at 760 mmHg 
Flash Point: 153 °C
Molar Volume: 305.9 cm3
Polarizability: 38.45*10-24 cm3
Surface Tension: 41 dyne/cm
Enthalpy of Vaporization: 73.98 kJ/mol
Vapour Pressure: 7.94E-09 mmHg at 25 °C 
XLogP3-AA: 6.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 9
Tautomer Count: 5
Exact Mass: 326.188195
MonoIsotopic Mass: 326.188195
Topological Polar Surface Area: 46.5
Heavy Atom Count: 24
Complexity: 362
Canonical SMILES: CCCCC(CC)COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI: InChI=1S/C21H26O3/c1-3-5-9-16(4-2)15-24-18-12-13-19(20(22)14-18)21(23)17-10-7-6-8-11-17/h6-8,10-14,16,22H,3-5,9,15H2,1-2H3
InChIKey of 4-(2-Ethylhexyloxy)-2-hydroxybenzo-phenone (CAS NO.2549-90-8) : SLXIKWJMGICOAO-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,100.
2.    

eye-rbt 500 mg/24H MLD

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,100.

Safety Profile

A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 4-(2-Ethylhexyloxy)-2-hydroxybenzo-phenone (CAS NO.2549-90-8) is also called 2-Hydroxy-4-(2'-ethylhexoxy)benzofenon ; 2-Hydroxy-4-(2'-ethylhexoxy)benzofenon [Czech] ; 4-(2-Ethylhexyloxy)-2-hydroxybenzofenon ; 4-(2-Ethylhexyloxy)-2-hydroxybenzofenon [Czech] ; BRN 1886814 .