CAS 1667-12-5 4,4'-Bis(hydroxymethyl)biphenyl (HCID 611786)

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Basic information

CAS: 1667-12-5
Standard SMILES: OCc1ccc(-c2ccc(CO)cc2)cc1
InChIKey: SFHGONLFTNHXDX-UHFFFAOYSA-N
Molecular formula: C14H14O2
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.09937969

Names & identifiers

Preferred name: 4,4'-Bis(hydroxymethyl)biphenyl
IUPAC: [4-[4-(hydroxymethyl)phenyl]phenyl]methanol
English name: 4,4'-Bis(hydroxymethyl)biphenyl
Molecular formula: C14H14O2
Molecular weight: 214.26

Names & synonyms

4,4'-Bis(hydroxymethyl)biphenyl1667-12-5DTXSID30346387RefChem:284566DTXCID702974604,4'-Biphenyldimethanol[1,1'-Biphenyl]-4,4'-dimethanol[4-[4-(hydroxymethyl)phenyl]phenyl]methanolMFCD000167134,4/'-Bis(hydroxymethyl)biphenylbiphenyl-4,4'-diyldimethanol4,4'-Bisbenzyl alcohol

Show more names

DIPHENYL-4,4'-DIMETHANOL4,4'-BiphenyldimethanolCAS4,4'-Biphenyldimethanol CAS4,4'-Biphenyldimethanol >4,4'-Dihydroxymethylbiphenyl(Biphenyl-4,4'-diyl)dimethanol[1,1ˊ-biphenyl] 4,4ˊ-dimethanol

4,4'-bishydroxymethylbiphenylSCHEMBL679970AKOS015840424AC-24977SY036423[1,1'-Biphenyl]-4,4'-diyldimethanol1,1'-Biphenyl-4,4'-bis(hydroxymethyl)-A810760

Database identifiers

CAS: 1667-12-5
PubChem CID: 611786
DTXSID: DTXSID30346387
EC Number: 108-390-5
Nikkaji: J895.968D

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 191 · 191-192°C
Boiling point: 416.3 · 416.3±40.0 °C(Predicted)
Density: 1.174 · 1.174±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: almost transparency in hot EtOH
form: powder to crystal
pka: 14.01 · 14.01±0.10(Predicted)
color: White to Light yellow
CAS DataBase Reference: 1667 · 1667-12-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 304 · H304-H332
Precautionary statements: 261 · P261-P271-P301+P310-P304+P340-P312-P331-P403-P501c
Hazard Codes: Xi
Risk Statements: 41 · 41

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (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 CategoriesEye Dam. 1 (100%)

Safety data

hs_code: 2906.29.6000
risk_code: 41
Signal word: Warning
Symbol(GHS): GHS07,GHS08
hazard_code: Xi
safety_code: 26-39
Hazard statements: H304-H332
Precautionary statements: P261-P271-P301+P310-P304+P340-P312-P331-P403-P501c