Basic information
- CAS
599-67-7- Standard SMILES
CC(O)(c1ccccc1)c1ccccc1- InChIKey
GIMDPFBLSKQRNP-UHFFFAOYSA-N- Molecular formula
- C14H14O
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.10446507
Names & identifiers
- Preferred name
- 1,1-Diphenylethanol
- IUPAC
- 1,1-diphenylethanol
- English name
- 1,1-Diphenylethanol
- Molecular formula
- C14H14O
- Molecular weight
- 198.26
Names & synonyms
1,1-Diphenylethanol599-67-7MethyldiphenylcarbinolBenzenemethanol, .alpha.-methyl-.alpha.-phenyl-alphaMethylbenzhydrolNSC 33NSC-331,1Diphenyl1ethanolBenzhydrol, alphamethyl8V681BNM35EINECS 209-970-1alphaMethylbenzhydryl alcohol
Show more names
1,1-Diphenyl-1-ethanolα-Methylbenzhydolà-methylbenzhydrolα-methylbenzhydrolALPHA-METHYLBENZHYDROLDiphenylmethylcarbinol1,1-Diphenylethanol,98%1,1-Diphenylethanol 98%1,1-Diphenylethanol >
UNII-8V681BNM35AI3-05842Benzenemethanol, alpha-methyl-alpha-phenyl-DTXSID0060519.ALPHA.-METHYL-.ALPHA.-PHENYLBENZENEMETHANOL1-HYDROXY-1,1-DIPHENYLETHANERefChem:71126ALPHA-METHYL-ALPHA-PHENYLBENZENEMETHANOL
Database identifiers
- CAS
599-67-7- PubChem CID
- 69031
- DTXSID
DTXSID0060519- UNII
- 8V681BNM35
- EC Number
- 209-970-1
- Nikkaji
- J96.138H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
Physical DescriptionCrystalline powder; [MSDSonline]
Physicochemical properties
- Melting point
- 77 · 77-81 °C (lit.)
- Boiling point
- 155 °C · 155 °C / 12mmHg
- Density
- 1.0074 · 1.0074 (rough estimate)
- refractive index
- 1.5381 · 1.5381 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 13.61 · 13.61±0.29(Predicted)
- color
- White to Light yellow
- BRN
- 1867726 · 1867726
- InChI
- 1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3
- InChIKey
- GIMDPFBLSKQRNP-UHFFFAOYSA-N
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 ClassificationNot Classified
Hazard information
Hazards SummaryMay cause irritation; Toxicity not fully known; [MSDSonline]
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29062990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanol, .alpha.-methyl-.alpha.-phenyl-: ACTIVE
Applications
Uses1,1-Diphenylethanol was used to study the ESR spectra of the spiro-cyclohexadienyl intermediate in the alkoxyl radicals.
General DescriptionThe H-bonds in 1,1-diphenylethanol were studied by means of infrared (IR) absorption spectra.
Upstream & downstream products
Upstream raw materials
Suppliers94 total
Related reactions
5 records
Compound notes
Loading…