ChemicalBook--->CAS DataBase List--->28994-41-4

28994-41-4

28994-41-4 Structure

28994-41-4 Structure
IdentificationMore
[Name]

2-Hydroxydiphenylmethane
[CAS]

28994-41-4
[Synonyms]

2-BENZYLPHENOL
2-HYDROXYDIPHENYLMETHANE
2-HYDYOXYDIPHENYLMETHANE
ALPHA-PHENYL-O-CRESOL
A-PHENYL-O-CRESOL
O-BENZYLPHENOL
2-(phenylmethyl)-pheno
2-(Phenylmethyl)phenol
Delegol T
o-Cresol, alpha-phenyl-
2-Benzylphenol,99%
2-HYDROXYDIPHENYLMETHANE 99%
α-Phenyl-o-cresol
Phenol, 2-(phenylmethyl)-
ALPHA-PHENYLCRESOL
ALPHA-PHENYL-ORTHO-CRESOL
2-Benzylphenol, 98+%
α-Phenyl-o-cresol, 2-Hydroxydiphenylmethane
[EINECS(EC#)]

249-361-8
[Molecular Formula]

C13H12O
[MDL Number]

MFCD00002242
[Molecular Weight]

184.23
[MOL File]

28994-41-4.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to red-pink crystals
[Melting point ]

49-51 °C (lit.) 49-51 °C
[Boiling point ]

312 °C (lit.)
[density ]

1.0120 (rough estimate)
[refractive index ]

nD20 1.59945
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

practically insoluble
[form ]

powder to crystal
[pka]

10.39±0.30(Predicted)
[color ]

White to Brown
[Water Solubility ]

practically insoluble
[Merck ]

14,1142
[BRN ]

2045725
[InChI]

1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
[InChIKey]

CDMGNVWZXRKJNS-UHFFFAOYSA-N
[SMILES]

Oc1ccccc1Cc2ccccc2
[CAS DataBase Reference]

28994-41-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 2-(phenylmethyl)-(28994-41-4)
[EPA Substance Registry System]

28994-41-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29071990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzyl bromide-->Cyclohexanol, 2-(phenylmethyl)--->4H-1,3,2-Benzodioxaborin, 2,4-diphenyl--->2-Cyclohexen-1-one, 2-(phenylmethyl)--->Phenol, 2-[(4-chlorophenyl)methyl]--->2,6-Dibenzylphenol-->Benzyl vinyl ether-->2-Hydroxybenzophenone-->Benzyl phenyl ether-->Clorofene-->Benzaldehyde-->Phenol
[Preparation Products]

Bifemelane-->4-Benzylphenol-->1-(2-benzylphenoxy)propan-2-ol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Benzylphenol(28994-41-4).msds
Hazard InformationBack Directory
[Chemical Properties]

colorless to red-pink crystals
[Uses]

2-Benzylphenol was used as starting reagent in the synthesis of 2-benzylacetate. It was also used in the the synthesis of 6- and 8-benzyl derivatives of 2-(dialkylamino)chromones.
[Synthesis Reference(s)]

Synthesis, p. 803, 1977 DOI: 10.1055/s-1977-24589
[Purification Methods]

Distil 2-benzylphenol in a vacuum and recrystallise it from EtOH. It has a stable form with m ~52o and an unstable form with m 21o. [Beilstein 6 H 675, 6 IV 4628.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Hydroxydiphenylmethane(28994-41-4)MS
2-Hydroxydiphenylmethane(28994-41-4)1HNMR
2-Hydroxydiphenylmethane(28994-41-4)13CNMR
2-Hydroxydiphenylmethane(28994-41-4)IR1
2-Hydroxydiphenylmethane(28994-41-4)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Hydroxydiphenylmethane, 98%(28994-41-4)
[Alfa Aesar]

2-Benzylphenol, 98+%(28994-41-4)
[Sigma Aldrich]

28994-41-4(sigmaaldrich)
[TCI AMERICA]

2-Benzylphenol,>97.0%(GC)(28994-41-4)
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