2-[BIS(4-HYDROXYPHENYL)METHYL]BENZYL ALCOHOL

2-[BIS(4-HYDROXYPHENYL)METHYL]BENZYL ALCOHOL Property

Melting point:

204 °C

Boiling point:

406.97°C (rough estimate)

Density 

1.1235 (rough estimate)

refractive index 

1.6630 (estimate)

solubility 

soluble in Methanol

form 

powder to crystal

pka

9.86±0.10(Predicted)

color 

White to Almost white

Merck 

14,7245

InChI

InChI=1S/C20H18O3/c21-13-16-3-1-2-4-19(16)20(14-5-9-17(22)10-6-14)15-7-11-18(23)12-8-15/h1-12,20-23H,13H2

InChIKey

CREICILGVGNQBH-UHFFFAOYSA-N

SMILES

C1(CO)=CC=CC=C1C(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

Safety

RTECS 

DA4912000

HS Code 

2907.29.0500

Toxicity

TDLo scu-rat: 160 mg/kg/18H JAFCAU 18,1108,1970

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

2-[BIS(4-HYDROXYPHENYL)METHYL]BENZYL ALCOHOL Chemical Properties,Usage,Production

Uses

Phenolphthalol is a laxative in agent preparations and also estrogenically active[1].

Definition

ChEBI: Phenolphthalol is a benzenoid aromatic compound.

Safety Profile

A poison by subcutaneous route. When heated to decomposition it emits acrid smoke and irritating vapors.

Purification Methods

Crystallise it from aqueous EtOH. [Beilstein 6 H 1146, 6 II 1110, 6 IV 7623.]

References

[1] Bitman J, et al. Estrogenic activity of DDT analogs and polychlorinated biphenyls. J Agric Food Chem. 1970;18(6):1108-1112. DOI:10.1021/jf60172a019