Octrizole (HCID 62485)

개요

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

이름 및 식별자

우선 이름: Octrizole
IUPAC: 2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
현지명: 2-(2H-벤조트리아졸-2-일)-4-(1,1,3,3-테트라메틸부틸)페놀
영어명: UV-329
분자식: C20H25N3O
분자량: 323.43

이름 및 동의어

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

이름 더 보기

2-(2H-벤조트리아졸-2-일)-4-(1,1,3,3-테트라메틸부틸)페놀2-(2H-벤조트리아졸-2-일)-4-(1,1,3,3-테트라메틸뷰틸)페놀2-(2H-벤조트리아졸-2-일)-4-(1,1,3,3-테트라메틸뷰틸)페놀(2-(2H-BENZOTRIAZOL-2...옥트리졸자외선흡수제UV-329LABOTEST-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 7.3
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 24
형식 전하: 0
복잡도: 417

실험 및 물리화학적 성질

Chemical ClassesUV filter

Polymers · 3건

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 · 2건

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

물리화학적 성질

녹는점: 106 · 106-108 °C(lit.)
끓는 점: 471.8 · 471.8±55.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 20℃
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8.07 · 8.07±0.45(Predicted)
색상: 흰색에서 황백색까지
수용성: 2 μg/L · 2μg/L at 20℃
화장품 원료 기능: 광안정기
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)
EPA: Octrizole (3147-75-9)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 6건

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%)

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 2933997500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
기존화학 물질: KE-02742
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

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

Consumer UsesAntioxidant

Industry UsesAntioxidant

Household Products · 2건

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 · 5건

Fragrance Ingredients

Cosmetics -> Uv absorber

Plastics -> Other functions -> Other stabiliser

Plastics -> Light stabilisers

Plastics -> Polymer Type -> PC

응용 분야 · 2건

개요The 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.

용도Ultraviolet screen.