CAS 3147-75-9 Octrizole (HCID 62485)

Overview

Octrizole is a small molecule drug. Octrizole has a monoisotopic molecular weight of 323.2 Da.

Names & identifiers

Preferred name: Octrizole
IUPAC: 2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
English name: UV-329
Molecular formula: C20H25N3O
Molecular weight: 323.43

Names & synonyms

OCTRIZOLE3147-75-92-(2-Hydroxy-5-tert-octylphenyl)benzotriazoleTinuvin 329Cyasorb 54112-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenolCyasorb UV 5411OctrizolSumisorb 3402-Benzotriazolyl-4-tert-octylphenolSeesorb 709Viosorb 583

Show more names

LABOTEST-BB LT00053579Ultraviolet absorbent UV-329UV-329EUSORB 323HRsorb-329

Spectra-Sorb UV 5411OctrizolumOctrizol [INN-Spanish]Octrizole [USAN:INN]Octrizolum [INN-Latin]UV Absorber-52-(2-Hydroxy-5-t-octylphenyl)benzotriazole2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole

Database identifiers

CAS: 3147-75-9
PubChem CID: 62485
DTXSID: DTXSID9027522
ChEMBL: CHEMBL1886986
UNII: R775Y233N3
EC Number: 221-573-5
Nikkaji: J7.685F

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 417

Experimental & physicochemical properties

Chemical ClassesUV filter

Polymers · 3 items

Plastics -> Light stabilisers

Plastics -> PC

Plastics -> Other functions -> Other stabiliser

CosmeticsUv absorber

FragrancesFragrance Ingredient (2-(2 Hydroxy-5-tert-oxyphenyl) benzotriazole) -> IFRA transparency List

Food Contact Substances · 2 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionOther Solid; Dry Powder; CBI; Large Crystals; Dry Powder; Large Crystals

Physicochemical properties

Melting point: 106 · 106-108 °C(lit.)
Boiling point: 471.8 · 471.8±55.0 °C(Predicted)
Density: 1.1 · 1.10±0.1 g/cm3(Predicted)
vapor pressure: 0 Pa · 0Pa at 20℃
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 8.07 · 8.07±0.45(Predicted)
color: White to Off-White
Water Solubility: 2 μg/L · 2μg/L at 20℃
Cosmetics Ingredients Functions: LIGHT STABILIZER
InChI: InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3
InChIKey: IYAZLDLPUNDVAG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C(C)(C)CC(C)(C)C)C=C1N1N=C2C=CC=CC2=N1
LogP: 7.29 · 7.290 (est)
Substances of Very High Concern (SVHC) Candidate List: 2 · 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol (UV-329) (3147-75-9)
FDA 21 CFR: 178.201 · 178.2010
Indirect Additives used in Food Contact Substances: 2 · 2-(2H-BENZOTRIAZOL-2-YL)-4-(1,1,3,3-TETRAMETHYLBUTYL) PHENOL
CAS DataBase Reference: 3147 · 3147-75-9(CAS DataBase Reference)
EWG's Food Scores: 2 · 2
FDA UNII: 775 Y233N3 · R775Y233N3
EPA Substance Registry System: Octrizole (3147-75-9)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 413 · H413
Precautionary statements: 273 · P273-P501
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 1 · 1
TSCA: TSCA listed
HS Code: 2933997500 · 2933997500
Storage Class: 11 · 11 - Combustible Solids
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 56.8% (407 of 717) of all reports.

Warning

H315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 717 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 6 items

Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-

Hazard Traits - Bioaccumulation; Environmental Persistence

Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 13-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13220

Substance: 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol (UV-329)

Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenolic benzotriazoles: Environment tier II assessment

Hazard Classes and CategoriesSkin Irrit. 2 (15.3%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 1
tsca: TSCA listed
hs_code: 2933997500
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H413
REACH Registrations: Active
Precautionary statements: P273-P501

Chemistry & industry

Uses & manufacturing

UsesPlastics -> Typical concentration range in plastic materials -> 0.3%

U.S. Production2023: 550,000 - <700,000 lb

Consumer UsesAntioxidant

Industry UsesAntioxidant

Household Products · 2 items

Cosmetics product ingredient: 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol (UV-329) (Octrizole)

Information on 41 consumer products that contain Octrizole in the following categories is provided:

Use Classification · 5 items

Fragrance Ingredients

Cosmetics -> Uv absorber

Plastics -> Other functions -> Other stabiliser

Plastics -> Light stabilisers

Plastics -> Polymer Type -> PC

Applications · 3 items

DescriptionThe ultraviolet absorber UV-329 is a highly effective anti-aging additive with excellent performance. It is soluble in benzene, styrene Chemicalbook, 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.

UsesUV absorber

UsesUltraviolet screen.