Grundinformationen
- Standard-SMILES
Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1- InChIKey
OCWYEMOEOGEQAN-UHFFFAOYSA-N- Summenformel
- C17H18ClN3O
- Durchschnittliche Molmasse
- 315,8 g/mol
- Monoisotopische Masse
- 315,11383988
Überblick
Bumetrizole is a small molecule drug. Bumetrizole has a monoisotopic molecular weight of 315.11 Da.
Namen und Bezeichner
- Bevorzugter Name
- Tinuvin
- IUPAC
- 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol
- Lokaler Name
- Bumetrizol
- Englischer Name
- UV Absorber 326
- Summenformel
- C17H18ClN3O
- Molmasse
- 315.8
Namen und Synonyme
Tinuvin2-(2'-Hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazoleRefChem:570489BUMETRIZOLE3896-11-52-(tert-Butyl)-6-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenolTinuvin 3262-(5-Chloro-2-benzotriazolyl)-6-tert-butyl-p-cresolUV-326Bumetrizol2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenolDTXSID9036438
Weitere Namen anzeigen
2-(2-HYDROXY-3-TERT-BUTYL-5-METHYLPHENYL)-5-CHLOROBENZOTRIAZOLE2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chloro-2H-benzotriazoleSumisorb 300ULTRAVIOLET ABSORBENT UV-326
C17H18ClN3OMFCD00059707Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-p-cresol2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol7ZF18Q354W2-tert-Butyl-6-(5-chloro-2H-1,2,3-benzotriazol-2-yl)-4-methylphenolTox21_112379
Datenbank-Bezeichner
- CAS
3896-11-5- PubChem CID
- 62531
- DTXSID
DTXSID9036438- ChEMBL
CHEMBL1880325- UNII
- 7ZF18Q354W
- EC Number
- 223-445-4
- Nikkaji
- J8.273B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,6
- Polarare Oberfläche (TPSA)
- 50,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 400
Experimentelle und physikochemische Eigenschaften
Chemical ClassesUV filter
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PC; (E)PS
Plastics -> Light stabilisers
CosmeticsUv absorber
FragrancesFragrance Ingredient (Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-) -> IFRA transparency List
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Collision Cross Section183.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9036438]
Physikochemische Eigenschaften
- Schmelzpunkt
- 144 · 144-147 °C(lit.)
- Siedepunkt
- 460.4 · 460.4±55.0 °C(Predicted)
- Dichte
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 9.31 · 9.31±0.48(Predicted)
- Farbe
- Pale Yellow to Light Yellow
- Wasserlöslichkeit
- 4 μg/L · 4μg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- LIGHT STABILIZER
- InChI
- InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3
- InChIKey
- OCWYEMOEOGEQAN-UHFFFAOYSA-N
- SMILES
- C1(O)=C(C(C)(C)C)C=C(C)C=C1N1N=C2C=C(Cl)C=CC2=N1
- LogP
- 6.58 · 6.580 (est)
- CAS Datenbank
- 3896 · 3896-11-5(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-p-cresol (3896-11-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 11.4% (241 of 2118) of reports.
H413 (78.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2118 reports by companies from 13 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-
Hazard Traits - Bioaccumulation; Environmental Persistence
Status: Active Update: 28-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5785
Substance: Bumetrizole (UV-326)
Bumetrizole: 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 CategoriesAquatic Chronic 4 (78.7%)
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38-53
- hazard_code
- Xi
- safety_code
- 26-36-61
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesPlastics -> Typical concentration range in plastic materials -> 0.3 - 1.0%
Household ProductsCosmetics product ingredient: Bumetrizole (UV-326)
Use Classification
Fragrance Ingredients
Cosmetics -> Uv absorber
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PC; (E)PS
Plastics -> Light stabilisers
General Manufacturing InformationPhenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-: ACTIVE
Anwendungen
VerwendenBumetrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers.
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