Hydrobenzoin
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Basic information
- CAS
492-70-6- Standard SMILES
OC(c1ccccc1)C(O)c1ccccc1- InChIKey
IHPDTPWNFBQHEB-UHFFFAOYSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Overview
Hydrobenzoin is an ethanediol.
Names & identifiers
- Preferred name
- Hydrobenzoin
- IUPAC
- 1,2-diphenylethane-1,2-diol
- English name
- HYDROBENZOIN
- Molecular formula
- C14H14O2
- Molecular weight
- 214.26
Names & synonyms
Hydrobenzoin1,2-Diphenylethane-1,2-diol492-70-61,2-Ethanediol, 1,2-diphenyl-CHEBI:50013Q61G3433LBNSC-10752NSC-14970RefChem:147045207-758-3DIHYDROBENZOIN(+/-)-Hydrobenzoin
Show more names
1,2-diphenyl-1,2-etanediol1,2-Diphenylethan-1,2-diol1,2-DIPHENYLETHUNE-1,2-DIOL1,2-Diphenylethylene glycol1,2-Bisphenyl-1,2-ethanediolMESO-1,2-DIPHENYL-1,2-ETHANEDIOL 96+%1-(4-bromophenyl)-2-phenylethane-1,2-diolHYDROBENZOIN / 1,2-DIPHENYL-1,2-ETHANEDIOL
655-48-11,2-Diphenyl-1,2-ethanediolEINECS 207-758-3MLS0011801691,2-Ethanediol, 1,2-diphenyl-, (R*,R*)-(.+/-.)-CS-0187819H0815AB-131/40897135
Database identifiers
- CAS
492-70-6、579-43-1- PubChem CID
- 95447
- DTXSID
DTXSID90870557- ChEMBL
CHEMBL365982- ChEBI
CHEBI:50013- EC Number
- 207-758-3
- Nikkaji
- J9.385H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.91
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 139 °C · 139°C
- Boiling point
- 373 · 373.0±37.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2.5 g/l · 2.5g/l slightly soluble
- pka
- 13.38 · 13.38±0.20(Predicted)
- form
- powder
- Appearance
- White to off-white Solid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationHydrobenzoin: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Benzil. See 1,2-Dihydrostilbene.
Safety data
- wgk
- 3
- hs_code
- 2906 29 00
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: Hydrobenzoin is an ethanediol.
Related reactions
10 records
Compound notes
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