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102577-46-8

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Basic Information
CAS No.: 102577-46-8
Name: 3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester
Article Data: 5
Molecular Structure:
Molecular Structure of 102577-46-8 (3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester)
Formula: C20H23N3O3
Molecular Weight: 353.41
Synonyms: HS-1130; Methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate; 3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid methyl ester
Density: 1.2g/cm3
Boiling Point: 500.2°C at 760 mmHg
Flash Point: 256.3°C
PSA: 77.24000
LogP: 3.52920
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Chemistry

Molecule structure of Tinuvin 1130 (CAS NO.102577-46-8):

IUPAC Name: methyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate
Molecular Weight: 353.41492 g/mol
Molecular Formula: C20H23N3O3 
Density: 1.2 g/cm3
Boiling Point: 500.2 °C at 760 mmHg
Flash Point: 256.3 °C
Vapour Pressure: 1.25E-10 mmHg at 25°C
Index of Refraction: 1.6
Molar Refractivity: 100.02 cm3
Molar Volume: 292 cm3
Polarizability: 39.65×10-24cm3
Surface Tension: 43.7 dyne/cm 
Enthalpy of Vaporization: 79.79 kJ/mol
XLogP3-AA: 4.7
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Tautomer Count: 3
Exact Mass: 353.173942
MonoIsotopic Mass: 353.173942
Topological Polar Surface Area: 77.2
Heavy Atom Count: 26
Complexity: 479
InChI: InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3
InChIKey: UJRDRFZCRQNLJM-UHFFFAOYSA-N
Synonyms of Tinuvin 1130 (CAS NO.102577-46-8): Benzenepropanoic acid ; 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy- ; methyl ester

Toxicity Data With Reference

1.    

eye-rbt 100 mg MLD

     EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0986-0627 .

Safety Profile

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