CAS 37729-18-3 2-[1,1'-Biphenyl]-4-yl-1-ethanol (HCID 6424577)

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Basic information

CAS: 37729-18-3
Standard SMILES: OCCc1ccc(-c2ccccc2)cc1
InChIKey: CLGLKAAXNFFWON-UHFFFAOYSA-N
Molecular formula: C14H14O
Average molar mass: 198.26 g/mol
Monoisotopic mass: 198.10446507

Names & identifiers

Preferred name: 2-[1,1'-Biphenyl]-4-yl-1-ethanol
IUPAC: 2-(4-phenylphenyl)ethanol
English name: Biphenyl-4-Ethanol
Molecular formula: C14H14O
Molecular weight: 198.26

Names & synonyms

2-[1,1'-Biphenyl]-4-yl-1-ethanol2-(1,1'-Biphenyl)-4-yl-1-ethanolRefChem:450181890-063-837729-18-32-([1,1'-Biphenyl]-4-yl)ethanolBiphenyl-4-Ethanol2-(4-phenylphenyl)ethanol2-(4-biphenylyl)ethanolMFCD099261824-Phenylphenethyl alcohol2-(Biphenyl-4-yl)ethanol

Show more names

[1,1biphenyl]-4-ethanol2-([1,1'-Biphenyl]-4-yl)4-(2-Hydroxyethyl)biphenyl2-(Biphenyl-4-yl)ethan-1-ol, 4-Phenylphenethyl alcohol

2-Biphenyl-4-yl-ethanolAKOS0050736952-([1,1'-Biphenyl]-4-yl)ethan-1-olCS-01564302-[(1,1'-biphenyl)-4-yl]ethanol2-(Biphenyl-4-yl)ethan-1-ol(1,1'-Biphenyl)-4-ethanol4-Biphenylethanol

Database identifiers

CAS: 37729-18-3
PubChem CID: 6424577
DTXSID: DTXSID00423710
EC Number: 890-063-8
Nikkaji: J2.035.634K

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 164

Physicochemical properties

Melting point: 93 · 93-94 °C
Boiling point: 203 · 203-207 °C(Press: 17 Torr)
Density: 1.071 · 1.071±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.83 · 14.83±0.10(Predicted)
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C14H14O/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKey: CLGLKAAXNFFWON-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(CCO)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2906290090 · 2906290090

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.