CAS 22078-90-6 (5-Phenylfuran-2-yl)methanol (HCID 960786)

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Basic information

CAS: 22078-90-6
Standard SMILES: OCc1ccc(-c2ccccc2)o1
InChIKey: QPESRPMGQSTWSO-UHFFFAOYSA-N
Molecular formula: C11H10O2
Average molar mass: 174.2 g/mol
Monoisotopic mass: 174.06807956

Names & identifiers

Preferred name: (5-Phenylfuran-2-yl)methanol
IUPAC: (5-phenylfuran-2-yl)methanol
English name: (5-PHENYL-FURAN-2-YL)-METHANOL
Molecular formula: C11H10O2
Molecular weight: 174.2

Names & synonyms

(5-phenylfuran-2-yl)methanol22078-90-6DTXSID10359374RefChem:209531DTXCID90310428(5-Phenyl-furan-2-yl)-methanol(5-phenyl-2-furyl)methanolMFCD021273532-Furanmethanol, 5-phenyl-2-hydroxymethyl-5-phenylfuran5-phenyl-2-hydroxymethylfuranSCHEMBL623853

Show more names

AKOS BB-8303ASISCHEM U67293ART-CHEM-BB B025316RARECHEM AL BD 08845-Phenyl-2-furanmethanol(5-phenyl-2-furyl)methanol(SALTDATA: FREE)

SCHEMBL28154714QPESRPMGQSTWSO-UHFFFAOYSA-NSTK397752AKOS000107770FS-1816SB61225F025229

Database identifiers

CAS: 22078-90-6
PubChem CID: 960786
DTXSID: DTXSID10359374
EC Number: 675-154-0
Nikkaji: J3.684.438H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 33.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 152

Physicochemical properties

Melting point: 62.5 · 62.5-63 °C(Solv: benzene (71-43-2); hexane (110-54-3))
Boiling point: 302.6 · 302.6±27.0 °C(Predicted)
Density: 1.151 · 1.151±0.06 g/cm3(Predicted)
pka: 13.95 · 13.95±0.10(Predicted)
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 300 · H300+H310+H330-H315-H319-H373-H341-H411
Precautionary statements: 501 · P501-P273-P260-P270-P262-P202-P201-P271-P264-P280-P284-P391-P308+P313-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P310-P304+P340+P310-P403+P233-P405
Hazard Codes: Xn
Risk Statements: 22 · 22

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 22
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: Xn
Hazard statements: H300+H310+H330-H315-H319-H373-H341-H411
Precautionary statements: P501-P273-P260-P270-P262-P202-P201-P271-P264-P280-P284-P391-P308+P313-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P310-P304+P340+P310-P403+P233-P405