Octrizole

Base Information

• Chemical Name: Octrizole
• CAS No.: 3147-75-9
• Deprecated CAS: 108021-89-2,123307-21-1,131242-52-9,134018-56-7,188025-34-5,31016-94-1,51656-56-5,52188-76-8,149780-04-1,862695-39-4,1395785-95-1,866032-39-5,1502813-89-9,1687727-77-0,2305191-21-1,123307-21-1,131242-52-9,134018-56-7,149780-04-1,188025-34-5,31016-94-1,51656-56-5,52188-76-8,862695-39-4,866032-39-5
• Molecular Formula: C20H25N3O
• Molecular Weight: 323.438
• Hs Code.: 2933997500
• European Community (EC) Number: 221-573-5
• UNII: R775Y233N3
• DSSTox Substance ID: DTXSID9027522
• Nikkaji Number: J7.685F
• Wikidata: Q27287879
• NCI Thesaurus Code: C80799
• ChEMBL ID: CHEMBL1886986
• Mol file: 3147-75-9.mol

Synonyms:OCTRIZOLE;3147-75-9;2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole;2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol;Sumisorb 340;Cyasorb 5411;Cyasorb UV 5411;2-Benzotriazolyl-4-tert-octylphenol;Seesorb 709;Tinuvin 329;Viosorb 583;Spectra-Sorb UV 5411;2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;Octrizolum;Octrizol;Octrizol [INN-Spanish];Octrizole [USAN:INN];Octrizolum [INN-Latin];2-(2-Hydroxy-5-t-octylphenyl)benzotriazole;123307-21-1;Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-;UV Absorber-5;2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole;2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole;EINECS 221-573-5;2-(2'-Hydroxy-5'-tert-octylphenyl)benztriazole;52188-76-8;2-(2'-Hydroxy-5'-tert-octylphenyl)benzotriazole;2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole;2-(5'-tert-Octyl-2'-hydroxyphenyl)benzotriazole;DTXSID9027522;UNII-R775Y233N3;2-(2'-Hydroxy-5'-t-octylphenyl)benzotriazole;2-(2'-Hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl)benzotriazole;R775Y233N3;NCGC00164139-02;NCGC00164139-03;EC 221-573-5;DTXCID107522;2-benzotriazol-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2H-1,2,3-benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;CAS-3147-75-9;2-[2-Hydroxy-5-tert-octylphenyl]-2H-benzotriazole;2-[2'-hydroxy-5'-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole;Eversorb 72;Kemisorb 79;Chisorb 5411;Chisorb-5411;Uvinul 3029;OCTRIZOLE [INN];Octrizole (USAN/INN);UV-329 (octrizole);OCTRIZOLE [INCI];OCTRIZOLE [USAN];Oprea1_301042;SCHEMBL15508;MLS004773921;BIDD:ER0448;BIDD:GT0495;CHEMBL1886986;JF 83;Tox21_112086;Tox21_201456;Tox21_300498;MFCD00013338;UV 329;UV-329;AKOS000521006;Tox21_112086_1;CS-W009876;UV 5411;NCGC00164139-01;NCGC00164139-04;NCGC00164139-05;NCGC00254486-01;NCGC00259007-01;AS-72774;SMR001595516;LS-179525;FT-0608475;H0716;2-(2 Hydroxy-5-tert-oxyphenyl) benzotriazole;2-(2H-benzotriazol-2-yl)-4-tert-octylphenol;D05232;E78137;2-(2'-hydroxy-5'-t-octyl phenyl) benzotriazol;A820874;W-106897;BRD-K74282937-001-01-6;Q27287879;2-(2'-hydroxy-5'-tert.-octylphenyl)-2H-benzotriazole;2-(2-benzotriazolyl)-4-(2,4,4-trimethylpentan-2-yl)phenol;6-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol;2-((2H-benzotriazo)-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol;2-(2h-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl) phenol;2-(2H-Benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)-phenol;Fenol, 2-(2H-benzotriazol-2-il)-4-(1,1,3,3-tetrametilbutil)-;Phenol, 2-(2H-benzotriazol-2-yl)- 4-(1,1,3,3-tetramethylbutyl)-;2- (2H- benzotriazol- 2- yl)- 4- (1, 1, 3, 3- tetramethylbutyl)phenol;2-(2H-BENZOTRIAZOL-2-YL)-4-(1,1,3,3- TETRAMETHYLBUTYL) PHENOL;2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol, 98%

Chemical Property of Octrizole

Chemical Property:

• Appearance/Colour: Slightly yellowish powder
• Vapor Pressure: 1.58E-09mmHg at 25°C
• Melting Point: 101-108 °C
• Refractive Index: 1.584
• Boiling Point: 471.8 °C at 760 mmHg
• PKA: 8.07±0.45(Predicted)
• Flash Point: 239.2 °C
• PSA: 50.94000
• Density: 1.1 g/cm³
• LogP: 4.83990
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 2μg/L at 20℃
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 323.199762429
• Heavy Atom Count: 24
• Complexity: 417

Purity/Quality:

99% ^*data from raw suppliers

2-Benzotriazolyl-4-tert-octylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
• Description: The ultraviolet absorber UV-329 is a highly effective anti-aging additive with excellent performance. It is soluble in benzene, styrene lookchem, dichloromethane and cyclohexane, slightly soluble in alcohols, insoluble in water; it can effectively absorb 270- 380 nanometer ultraviolet light; non-flammable, non-explosive, non-toxic, safe and harmless to use.
• Uses: UV absorber Ultraviolet screen.

Technology Process of Octrizole

There total 14 articles about Octrizole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.5%

C20H25N3O2 → Cyasorb UV 5411 (3147-75-9,52188-76-8)

Guidance literature:

In isopropyl alcohol; at 80 - 82 ℃; for 4h;

Reference yield: 96.4%

2-(2'-hydroxy-5'-tert-octylphenyl)nitrodiazobenzene (51656-57-6) → Cyasorb UV 5411 (3147-75-9,52188-76-8)

Guidance literature:

With methanol; Aminoiminomethanesulfinic acid; sodium hydroxide; In toluene; at 50 - 80 ℃; for 0.5h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 96.0%

2-(2-Nitro-phenylazo)-4-(1,1,3,3-tetramethyl-butyl)-phenol (51656-57-6) → Cyasorb UV 5411 (3147-75-9,52188-76-8)

Guidance literature:

With sodium hydroxide; thiourea S,S-dioxide; In water; isopropyl alcohol; for 3h; Heating;

DOI:10.1055/s-1986-31733

upstream raw materials:

2-(2-Nitro-phenylazo)-4-(1,1,3,3-tetramethyl-butyl)-phenol

2-Nitro-2'-hydroxy-3',5'-di-tert-pentyl-azobenzene

9-fluorenone

2-nitro-2'-hydroxy-5'-tert-butylazobenzene

Downstream raw materials:

6-allyl-2-(2H-1,2,3-benzotriazol-2-yl)-4-(t-octyl)phenol

2-(2H-benzotriazol-2-yl)-6-chloromethyl-4-(1,1,3,3-tetramethylbutyl)phenol.

diphenyl-[2-(2H-benzotriazol-2-yl-κN)-4-(1,1,3,3-tetramethyl-butyl)-phenolate-κO]-boron

methylene bis-benzotriazolyl tetramethylbutylphenol

Refernces

• 1、 -. "Novel polycyclic compound". . . Retrieved 2020/07/06.
• 2、 -. "Preparation method of ultraviolet absorbent UV - 329 (by machine translation)". Paragraph 0032; 0038; 0039; 0045; 0046; 0052. . Retrieved 2019/08/26.