CAS 612-14-6|Phthalyl alcohol|o-Xylene-alpha,alpha'-diol|Benzene-1,2-diyldimethanol|[2-(hydroxymethyl)phenyl]methanol|1,2-Bis(hydroxymethyl)benzene 98%|1,2-benzenedimethanol|1,2-Benzenedimethanol|邻...

General Information

Structure

Molecular Formula

C₈H₁₀O₂

Molecular Mass

138.1638

Exact Mass

138.06807956

Charge

InChI

InChI=1S/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2

InChIKey

XMUZQOKACOLCSS-UHFFFAOYSA-N

Canonic Smiles

OCc1ccccc1CO

Isomeric Smiles

OCc1ccccc1CO

Calculated Properties

JChem

Acid pKa

14.62035

H Acceptors

H Donor

LogD (pH = 5.5)

0.43854627

LogD (pH = 7.4)

0.43854624

Log P

0.43854627

Molar Refractivity

39.6898

Polarizability

15.235643

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

Phthalyl alcoholo-Xylene-alpha,alpha'-diolBenzene-1,2-diyldimethanol1,2-Bis(hydroxymethyl)benzene 98%1,2-苯二甲醇1,2-Benzenedimethanol邻苯二甲醇邻二甲苯-α,α′-二醇1,2-双(羟基甲基)苯1,2-Bis(hydroxymethyl)benzeneo-Xylene-α,α′-diol邻苯二甲醇

IUPAC Traditional name

1,2-benzenedimethanol

IUPAC name

[2-(hydroxymethyl)phenyl]methanol

Names and Identifiers

Registration numbers

MDL Number

MFCD00004626

EC Number

210-293-9

CAS Number

612-14-6

PubChem SID

2485113424847532162075170

Beilstein Number

508775

PubChem CID

69153

Registration numbers

Properties

Safety Information

Storage Warning

Irritant

MSDS Link

Download link

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

German water hazard class

是

Physical Property

63-65°C

63-65 °C(lit.)

61-64 °C

59-64°C

Product Information

C6H4(CH2OH)2

97%

≥95.0% (HPLC)

purum

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

184829

Packaging
1, 10 g in glass bottle

12570

Other Notes
Reagent for the protection of carbonyl compounds as 7-membered acetals1,2

Molecule Details

References

PubChem Literature

From Data Sources

• The 7-membered cyclic orthoformates, formed with triethyl or trimethyl orthoformate, are superior reagents for the protection of carbonyl groups as their 2,4-benzodioxepine derivatives. These can be readily cleaved in high yield by Pd-catalyzed hydrogenolysis: Tetrahedron Lett., 30, 4165 (1989); J. Am. Chem. Soc., 116, 558 (1994).

• Has also been employed for the protection of boronic acids, by reaction in THF in the presence of a dehydrating agent, e.g. Na₂SO₄. These derivatives can be readily cleaved by hydrogenolysis or hydrolysis: Tetrahedron Lett., 37, 6705 (1996).

References

Bioactivity

PubChem BioAssay

Bioactivity