Grundinformationen
- Standard-SMILES
Cc1ccc(O)c(-n2nc3ccccc3n2)c1- InChIKey
MCPKSFINULVDNX-UHFFFAOYSA-N- Summenformel
- C13H11N3O
- Durchschnittliche Molmasse
- 225,25 g/mol
- Monoisotopische Masse
- 225,09021198
Namen und Bezeichner
- Bevorzugter Name
- Drometrizole
- IUPAC
- 2-(benzotriazol-2-yl)-4-methylphenol
- Lokaler Name
- 2-(2H-Benzotriazol-2-yl)-p-kresol
- Englischer Name
- Drometrizole
- Summenformel
- C13H11N3O
- Molmasse
- 225.25
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2440-22-4- PubChem CID
- 17113
- DTXSID
DTXSID1027479- ChEMBL
CHEMBL1564747- ChEBI
CHEBI:134926- UNII
- 5X93W9OFZL
- EC Number
- 219-470-5、607-063-9
- Nikkaji
- J7.899I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 50,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 259
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 125.5 · 125.5-129.5 °C(lit.)
- Siedepunkt
- 10 · bp10 225°
- Dichte
- 1.38 · 1.38
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 1.56 · 1.5600 (estimate)
- Flammpunkt
- 54 °C · 54°C
- storage temp.
- 15 · 15-25°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 8.15 · 8.15±0.43(Predicted)
- Farbe
- Off-White to Pale Yellow
- Wasserlöslichkeit
- 173 μg/L · 173μg/L at 20℃
- Merck
- 14 · 14,3447
- Stabilität
- Hygroscopic
- Kosmetik-Inhaltsstoffe Funktionen
- UV ABSORBER
- InChI
- 1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
- InChIKey
- MCPKSFINULVDNX-UHFFFAOYSA-N
- SMILES
- Cc1ccc(O)c(c1)-n2nc3ccccc3n2
- LogP
- 4.2 at · 4.2 at 25℃
- CAS Datenbank
- 2440 · 2440-22-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-(2440-22-4)
- EPA chemische Informationen
- 2 · 2-(2H-Benzotriazol-2-yl)-p-cresol (2440-22-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (7 of 885) of reports.
Warning
H317 (97.1%): May cause an allergic skin reaction [Warning Sensitization, Skin];H410 (47%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard];H413 (46%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 885 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 7 of 885 reports by companies.;There are 18 notifications provided by 878 of 885 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-
Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- 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: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13300
Drometrizole: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1 (97.1%);Aquatic Chronic 1 (47%);Aquatic Chronic 4 (46%)
Skin sensitization - Category 1B;Specific target organ toxicity - Single exposure - Category 1 (respiratory organs);Specific target organ toxicity - Repeated exposure - Category 2 (kidney);Hazardous to the aquatic environment (Long-term) - Category 1
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-
Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- 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: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13300
Drometrizole: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29339900
- RTECS-Nr.
- GO6860000
- risk_code
- 36/37/38-53-43
- Toxizität
- LD50 oral in mouse: 6500mg/kg
- hazard_code
- Xi
- safety_code
- 22-24/25-36/37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 1Skin Sens. 1B
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: Drometrizole
Plastics -> Typical concentration range in plastic materials -> 0.0015 - 0.5%
Use Classification
Fragrance Ingredients
Plastics -> Light stabilisers
Plastics -> Other functions -> Other stabiliser
Cosmetics -> Uv absorber
Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PMMA; (E)PS
General Manufacturing Information
Transportation Equipment Manufacturing;Plastics Product Manufacturing;Synthetic Rubber Manufacturing;Adhesive Manufacturing;Plastics Material and Resin Manufacturing;Paint and Coating Manufacturing;Printing Ink Manufacturing
Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-: ACTIVE
Anwendungen
VerwendenDrometrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionDrometrizole is a member of triazoles.
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