Grundinformationen
- Standard-SMILES
CC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1- InChIKey
OLFNXLXEGXRUOI-UHFFFAOYSA-N- Summenformel
- C30H29N3O
- Durchschnittliche Molmasse
- 447,6 g/mol
- Monoisotopische Masse
- 447,23106255
Namen und Bezeichner
- Bevorzugter Name
- 2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
- IUPAC
- 2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenol
- Lokaler Name
- 2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
- Englischer Name
- 2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
- Summenformel
- C30H29N3O
- Molmasse
- 447.57
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
70321-86-7- PubChem CID
- 112412
- DTXSID
DTXSID2028985- ChEMBL
CHEMBL1892237- UNII
- 9B1ZX3NU45
- EC Number
- 274-570-6
- Nikkaji
- J26.632I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8,6
- Polarare Oberfläche (TPSA)
- 50,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 652
Experimentelle und physikochemische Eigenschaften
Polymers
Plastics -> Light stabilisers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Other functions -> Other stabiliser
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physikochemische Eigenschaften
- Schmelzpunkt
- 139 · 139-143 °C(lit.)
- Siedepunkt
- 589.3 · 589.3±60.0 °C(Predicted)
- Dichte
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- Flammpunkt
- 383 °F · 383 °F(lit.)
- storage temp.
- Refrigerator
- Löslichkeit
- 2 O: · H2O: <0.04 ppm at 20 °C, insoluble
- pka
- 9 · 9+-.0.10(Predicted)
- Aggregatzustand
- powder
- Farbe
- White to Off-White
- Geruch (Odor)
- fresh fruity raspberry rose
- Wasserlöslichkeit
- 0.04 ppm · insoluble, <0.04 ppm at 20 ºC
- Henry's Law Constant
- 7.2 · 7.2×109 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3
- InChIKey
- OLFNXLXEGXRUOI-UHFFFAOYSA-N
- SMILES
- C1(O)=C(C(C)(C2=CC=CC=C2)C)C=C(C(C)(C2=CC=CC=C2)C)C=C1N1N=C2C=CC=CC2=N1
- CAS Datenbank
- 70321 · 70321-86-7(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)- (70321-86-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 39.1% (232 of 593) of reports.
Warning
H315 (12%): 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 593 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-
Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)- 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/11135
Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- -
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Light stabilisers
Plastics -> Other functions -> Other stabiliser
General Manufacturing Information
Adhesive Manufacturing
Phenol, 2-(2H-benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)-: ACTIVE
Anwendungen
VerwendenBenzotriazole BT is a low volatile benzotriazole UV light absorber and stabilizer.
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