Basic information
- CAS
71912-71-5- Standard SMILES
OCCc1cccc(-c2ccccc2)c1- InChIKey
NOPMBRCHCNZTDW-UHFFFAOYSA-N- Molecular formula
- C14H14O
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.10446507
Names & identifiers
- Preferred name
- 2-[(1,1'-Biphenyl)-3-yl]ethanol
- IUPAC
- 2-(3-phenylphenyl)ethanol
- English name
- 2-[(1,1'-Biphenyl)-3-yl]ethanol
- Molecular formula
- C14H14O
- Molecular weight
- 198.26
Names & synonyms
2-[(1,1'-biphenyl)-3-yl]ethanol2-([1,1'-Biphenyl]-3-yl)ethanol2-((1,1'-biphenyl)-3-yl)ethanolRefChem:447214696-266-671912-71-52-(3-phenylphenyl)ethanol3-Phenylphenethyl alcohol2-(3-biphenylyl)ethanolMFCD099261772-([1,1'-Biphenyl]-3-yl)ethan-1-ol[1,1'-Biphenyl]-3-ethanol
Show more names
SCHEMBL5865103SCHEMBL5865105DTXSID10443707NOPMBRCHCNZTDW-UHFFFAOYSA-NAKOS006312856SS-43643-(2-hydroxy-1-ethyl)-1,1-biphenyl3-(2-hydroxy-1-ethyl)-1,1'-biphenyl
Database identifiers
- CAS
71912-71-5- PubChem CID
- 10703117
- DTXSID
DTXSID10443707- EC Number
- 696-266-6
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 60 · 60-61 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 146 · 146-149 °C(Press: 1 Torr)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 14.83 · 14.83±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302-H332
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H302-H332
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
7 records
Compound notes
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