α,α,α',α'-Tetramethyl-p-xylol-α,α'-diol

p-Bis(2-hydroxyisopropyl)benzene

HCID 18062CAS 2948-46-1

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Grundinformationen

Standard-SMILES: CC(C)(O)c1ccc(C(C)(C)O)cc1
InChIKey: LEARFTRDZQQTDN-UHFFFAOYSA-N
Summenformel: C12H18O2
Durchschnittliche Molmasse: 194,27 g/mol
Monoisotopische Masse: 194,13067982

Namen und Bezeichner

Bevorzugter Name: p-Bis(2-hydroxyisopropyl)benzene
IUPAC: 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
Lokaler Name: α,α,α',α'-Tetramethyl-p-xylol-α,α'-diol
Englischer Name: 1,4-BIS(1-METHYL-1-HYDROXYETHYL)BENZENE
Summenformel: C12H18O2
Molmasse: 194.27

Namen und Synonyme

2948-46-11,4-Bis(2-hydroxy-2-propyl)benzenealpha,alpha,alpha',alpha'-Tetramethyl-1,4-benzenedimethanolP-BIS(2-HYDROXYISOPROPYL)BENZENEG785DRB5XHDTXSID7029247HSDB 5907p-Bis(alpha-hydroxyisopropyl)benzeneEINECS 220-964-8alpha,alpha'-Dihydroxy-p-diisopropylbenzenealpha,alpha,alpha',alpha'-Tetramethyl-p-xylylenediolalpha,alpha,alpha',alpha'-Tetramethyl-p-benzenedimethanol

Weitere Namen anzeigen

Dicumyl alcoholTIMTEC-BB SBB0078061,4-Bis(2-propanol)benzene2,2'-(P-PHENYLENE)DI-2-PROPANOL1,4-bis(hydroxyisopropyl)benzene1,4-Di(2-hydroxy-2-propyl)benzene'-Dihydroxy-1,4-diisopropylbenzene1,4-Bis(2-hydroxyisopropyl)benzene

DTXCID3092471,4-Benzenedimethanol, alpha,alpha,alpha',alpha'-tetramethyl-p-Xylene-alpha,alpha'-diol, alpha,alpha,alpha',alpha'-tetramethyl-1,4-Benzenedimethanol, alpha1,alpha1,alpha4,alpha4-tetramethyl-P-BIS(2-HYDROXYISOPROPYL)BENZENE [HSDB]RefChem:8579981,4Bis(2hydroxy2propyl)benzenepBis(alphahydroxyisopropyl)benzene

Datenbank-Bezeichner

CAS: 2948-46-1
PubChem CID: 18062
DTXSID: DTXSID7029247
ChEMBL: CHEMBL3187761
UNII: G785DRB5XH
EC Number: 220-964-8
Nikkaji: J28.515C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 166

Experimentelle und physikochemische Eigenschaften

Chemical ClassesIndustrial compound

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesBoiling point

Physical DescriptionSolid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: 144 · 144-146 °C (lit.)
Siedepunkt: 167 · 167-168 °C/12 mmHg (lit.)
Dichte: 1.001 · 1.0010 (rough estimate)
Brechungsindex: 1.505 · 1.5050 (estimate)
Flammpunkt: 167 · 167-168°C/12mm
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 14.25 · 14.25±0.29(Predicted)
Farbe: White to Light yellow
Wasserlöslichkeit: Slightly Soluble in water (2.1 g/L) (25°C).
InChI: InChI=1S/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3
InChIKey: LEARFTRDZQQTDN-UHFFFAOYSA-N
SMILES: C(O)(C)(C)C1C=CC(C(O)(C)C)=CC=1
CAS Datenbank: 2948 · 2948-46-1(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,4-Bis(2-hydroxy-2-propyl)benzene (2948-46-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H315 (97.7%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.