Octahydro-4,7-methano-1H-inden-2,5-dimethanol

Hexahydro-4,7-methanoindan-2,5-dimethanol

HCID 98091CAS 28132-01-6

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Grundinformationen

Standard-SMILES: OCC1CC2C3CC(CO)C(C3)C2C1
InChIKey: ZFZDWMXUMXACHS-UHFFFAOYSA-N
Summenformel: C12H20O2
Durchschnittliche Molmasse: 196,29 g/mol
Monoisotopische Masse: 196,14632988

Namen und Bezeichner

Bevorzugter Name: Hexahydro-4,7-methanoindan-2,5-dimethanol
IUPAC: [8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
Lokaler Name: Octahydro-4,7-methano-1H-inden-2,5-dimethanol
Englischer Name: octahydro-4,7-methano-1H-indene-2,5-dimethanol
Summenformel: C12H20O2
Molmasse: 196.29

Namen und Synonyme

28132-01-64,7-Methano-1H-indene-2,5-dimethanol, octahydro-Octahydro-4,7-methano-1H-indene-2,5-dimethanol61GSS6WMRMHexahydro-4,7-methanoindan-2,5-dimethanolEINECS 248-857-1NSC 76048NSC-76048AI3-51330Tricyclo(5.2.1.02,6)decane-4,8-dimethylolTricyclo(5.2.1.02,6)decane-4,9-dimethylolTricyclo[5.2.1.02,6]decane-4,8-dimethanol

Weitere Namen anzeigen

4,8-Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane, mixture of isomersTricyclo[5.2.1.02,6]decane-4,8-bismethanol

DTXSID608654154,7-METHANOINDAN-2,5-DIMETHANOL, HEXAHYDRO-TRICYCLO(5.2.1.02,6)DECANE-4,8-DIMETHANOLRefChem:786147DTXCID70813826248-857-1(Octahydro-1H-4,7-methanoindene-2,5-diyl)dimethanol4,8-Bis(hydroxymethyl)tricyclo[5.2.1.0(2,6)]decane

Datenbank-Bezeichner

CAS: 28132-01-6
PubChem CID: 98091
DTXSID: DTXSID60865415
UNII: 61GSS6WMRM
EC Number: 248-857-1
Nikkaji: J250.659I

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: 228

Physikochemische Eigenschaften

Siedepunkt: 356.7 · 356.7±10.0 °C(Predicted)
Dichte: 1.111 · 1.111±0.06 g/cm3(Predicted)
pka: 14.98 · 14.98±0.10(Predicted)
LogP: 1.617 · 1.617 (est)
EPA chemische Informationen: 4 · 4,7-Methano-1H-indene-2,5-dimethanol, octahydro- (28132-01-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.