2,4-Bis(1-methyl-1-phenylethyl)phenol
2,4-Dicumylphenol
Grundinformationen
- CAS
2772-45-4- Standard-SMILES
CC(C)(c1ccccc1)c1ccc(O)c(C(C)(C)c2ccccc2)c1- InChIKey
FMUYQRFTLHAARI-UHFFFAOYSA-N- Summenformel
- C24H26O
- Durchschnittliche Molmasse
- 330,5 g/mol
- Monoisotopische Masse
- 330,19836545
Überblick
an antihistaminic agent; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dicumylphenol
- IUPAC
- 2,4-bis(2-phenylpropan-2-yl)phenol
- Lokaler Name
- 2,4-Bis(1-methyl-1-phenylethyl)phenol
- Englischer Name
- 2,4-Bis(alpha,alpha-dimethylbenzyl)phenol
- Summenformel
- C24H26O
- Molmasse
- 330.46
Namen und Synonyme
2772-45-42,4-Bis(alpha,alpha-dimethylbenzyl)phenol2,4-Bis(1-methyl-1-phenylethyl)phenol2,4-DicumylphenolPhenol, 2,4-bis(1-methyl-1-phenylethyl)-DTXSID70292419U10Z6U3JPDTXCID909241AH5 phenol cpdRefChem:82218220-466-02,4-bis(2-phenylpropan-2-yl)phenol
Weitere Namen anzeigen
2,4-Bis(2,4-dibutanol2,4 DI-CUMYLPHENOL2,4-Bis(α,α-dimethyL2,4-bis(α,α-dimethylbenzyl)phenol2,4-Bis(α,α-dimethylbenzyl)phenol2,4-BIS(ALPHA,ALPHA-DIMETHYLBENZYL)
2,4-Di-alpha-cumylphenolMFCD001912422,4-Bis(|A,|A-dimethylbenzyl)phenolAKOS001017927NCGC00247990-02NCGC00247990-03Z56812043CAS-2772-45-4
Datenbank-Bezeichner
- CAS
2772-45-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 412
Experimentelle und physikochemische Eigenschaften
Chemical ClassesUV filter
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionOther Solid; Liquid
Collision Cross Section171.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7029241]
Physikochemische Eigenschaften
- Schmelzpunkt
- 63 · 63-65 °C(lit.)
- Siedepunkt
- 206 °C15 · 206 °C15 mm Hg(lit.)
- Dichte
- 1.063 · 1.063
- Brechungsindex
- 1.638 · 1.6380 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 10.71 · 10.71±0.10(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Warning
H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Phenol, 2,4-bis(1-methyl-1-phenylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,4-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: 08-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17219
Phenol, 2,4-bis(1-methyl-1-phenylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2 (95.2%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2907199090
- risk_code
- 26-27-36/39-36
- hazard_code
- Xi
- safety_code
- 26-27-28-36/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesAntioxidant
Industry UsesUV stabilizer
General Manufacturing Information
Plastics Material and Resin Manufacturing
Phenol, 2,4-bis(1-methyl-1-phenylethyl)-: ACTIVE
Anwendungen
VerwendenUV Stabilizer and Antioxidant Intermediate
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
25
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