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

HCID 98091

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Basic information

CAS: 28132-01-6
Standard SMILES: OCC1CC2C3CC(CO)C(C3)C2C1
InChIKey: ZFZDWMXUMXACHS-UHFFFAOYSA-N
Molecular formula: C12H20O2
Average molar mass: 196.29 g/mol
Monoisotopic mass: 196.14632988

Names & identifiers

Preferred name: Hexahydro-4,7-methanoindan-2,5-dimethanol
IUPAC: [8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
English name: octahydro-4,7-methano-1H-indene-2,5-dimethanol
Molecular formula: C12H20O2
Molecular weight: 196.29

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 228

Physicochemical properties

Boiling point: 356.7 · 356.7±10.0 °C(Predicted)
Density: 1.111 · 1.111±0.06 g/cm3(Predicted)
pka: 14.98 · 14.98±0.10(Predicted)
LogP: 1.617 · 1.617 (est)
EWG's Food Scores: 1 · 1
FDA UNII: 61 GSS6WMRM · 61GSS6WMRM
EPA Substance Registry System: 4 · 4,7-Methano-1H-indene-2,5-dimethanol, octahydro- (28132-01-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory InformationChemical: 4,7-Methano-1H-indene-2,5-dimethanol, octahydro-

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Regulatory information

Regulatory InformationChemical: 4,7-Methano-1H-indene-2,5-dimethanol, octahydro-

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362