Bisphenol A - Materials / Alfa Chemistry

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Bisphenol A

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Catalog Number

ACMA00016855

Product Name

Bisphenol A

Category

Polymers

Description

4,4'-isopropylidenediphenol appears as white to light brown flakes or powder. Has a weak medicine odor. Sinks in water. (USCG, 1999);DryPowder; Liquid; OtherSolid; OtherSolid, Liquid; PelletsLargeCrystals;Solid;WHITE CRYSTALS FLAKES OR POWDER.;White to light brown flakes or powder with a weak medicinal odor. Reacts violently with acid anhydrides, acid chlorides, strong bases and strong oxidants.

IUPAC Name

4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

Molecular Weight

228.29g/mol

Molecular Formula

C15H16O2;(CH3)2C(C6H4OH)2;C15H16O2

Canonical SMILES

CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3

InChI Key

IISBACLAFKSPIT-UHFFFAOYSA-N

Boiling Point

428 °F at 4 mm Hg (NTP, 1992);360.5 °C at 760 mm Hg;at 1.7kPa: 250-252 °C;428°F

Melting Point

307 to 313 °F (NTP, 1992);153.0 °C;160 °C;156-157°C;150-157 °C;307-313°F

Flash Point

175 °F (NTP, 1992);227 °C (closed cup);227 °C c.c.;175°F

Density

1.195 at 77 °F (USCG, 1999);1.195 at 25 °C/25 °C;Relative density (water = 1): 1.2 (25 °C);1.195 at 77°F

Solubility

less than 1 mg/mL at 70.7° F (NTP, 1992);5.26e-04 M;In water, 300 mg/L at 25 °C;In water solubility, 120 mg/L at 25 °C;Insoluble in water;Very soluble in ethanol, ether, benzene, alkali; soluble in acetic acid;Soluble in aqueous alkaline solution, alcohol, acetone; slightly soluble in carbon tetrachloride.;0.12 mg/mL at 25 °C;Solubility in water, g/100ml: 0.03 (very poor)

Color/Form

Crystallizes as prisms from dil acetic acid and as needles from water;White flakes;Crystals or flakes;White to light brown solid flakes or powder

Complexity

209

Covalently-Bonded Unit Count

EC Number

201-245-8

Exact Mass

228.11503g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0634

Log P

3.32 (LogP);log Kow = 3.32;3.32;3.32

MeSH Entry Terms

2,2-bis(4-hydroxyphenyl)propane;4,4'-dihydroxy-2,2-diphenylpropane;bisphenol A;bisphenol A, disodium salt;bisphenol A, sodium salt;diphenylolpropane

Monoisotopic Mass

228.11503g/mol

NSC Number

17959;1767

Odor

Mild phenolic odor;Weak medicine odor

Other Experimental

BP: 220 °C at 4 mm Hg;MP: 150-155 °C (solidification range);Decomposes above 8 mm pressure when heated above 220 °C;IR: 2:599G (Aldrich Library of Infrared Spectra, Aldrich Chemical Co, Milwaukee, WI) /Bisphenol B/;Henry's Law constant = 4.0X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 8.1X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

SL6300000

Stability

Stable under recommended storage conditions.

UNII

MLT3645I99

UN Number

2924

Vapor Pressure

0.2 mm Hg at 338 °F ; 1 mm Hg at 379.4° F (NTP, 1992);4.0X10-8 mm Hg at 25 °C;Vapor pressure, Pa at 25 °C: negligible;0.2 mmHg at 338°F

XLogP3