2,4-Diisopropylphenol
Grundinformationen
- CAS
2934-05-6- Standard-SMILES
CC(C)c1ccc(O)c(C(C)C)c1- InChIKey
KEUMBYCOWGLRBQ-UHFFFAOYSA-N- Summenformel
- C12H18O
- Durchschnittliche Molmasse
- 178,27 g/mol
- Monoisotopische Masse
- 178,1357652
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Diisopropylphenol
- IUPAC
- 2,4-di(propan-2-yl)phenol
- Lokaler Name
- 2,4-Diisopropylphenol
- Englischer Name
- 2,4-Diisopropylphenol
- Summenformel
- C12H18O
- Molmasse
- 178.27
Namen und Synonyme
2,4-DIISOPROPYLPHENOL2934-05-6Phenol, 2,4-bis(1-methylethyl)-2,4-Bis(1-methylethyl)phenolPhenol, 2,4-diisopropyl-DTXSID7042273BRN 1864621YD41XSG2L8EINECS 220-906-1DTXCID50222734-06-00-03438 (Beilstein Handbook Reference)PROPOFOL IMPURITY A [EP IMPURITY]
Weitere Namen anzeigen
2,4-diisopropyl-pheno2,4-bis(1-Methylethyl)-2,4-bis(1-methylethyl)-phenoPhenol, 2,4-diisopropyl-PhenolPhenol,2,4-bis(1-methylethyl)-Propofol Impurity 1（Propofol EP Impurity A）
PROPOFOL IMPURITY A (EP IMPURITY)RefChem:443674220-906-12,4-di(propan-2-yl)phenolPropofol EP Impurity A2,4-bis(propan-2-yl)phenolMFCD017075362,4-Diisopropyl-phenol
Datenbank-Bezeichner
- CAS
2934-05-6- PubChem CID
- 18048
- DTXSID
DTXSID7042273- ChEMBL
CHEMBL29799- UNII
- YD41XSG2L8
- EC Number
- 220-906-1
- Nikkaji
- J79.307H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 151
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
Collision Cross Section146.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7042273]
Physikochemische Eigenschaften
- Schmelzpunkt
- 37.99 °C · 37.99°C (estimate)
- Siedepunkt
- 79 · 79-80 °C (lit.)
- Dichte
- 0.948 g/mL · 0.948 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.5130(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.76 · 10.76±0.18(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Colorless to light yellow
- Wasserlöslichkeit
- Sparingly soluble at water (0.25 g/L at 25°C).
- InChI
- 1S/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3
- InChIKey
- KEUMBYCOWGLRBQ-UHFFFAOYSA-N
- SMILES
- CC(C)c1ccc(O)c(c1)C(C)C
- EPA chemische Informationen
- 2 · Phenol, 2,4-bis(1-methylethyl)- (2934-05-6)
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
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: Phenol, 2,4-bis(1-methylethyl)-
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2907199090
- RTECS-Nr.
- SL0800000
- risk_code
- 36/37/38
- Toxizität
- mouse,LD50,intravenous,120mg/kg (120mg/kg),BEHAVIORAL: SLEEP,Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2,4-Diisopropylphenol is a related compound of Propofol (P829750), as an antioxidant.
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