77-09-8

Product Name: Phenolphthalein

Formula: C20H14O4

Synonyms: 3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone

Inquiry

CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

CHEMICAL AND PHYSICAL PROPERTIES

Physical Description	Phenolphthalein appears as white or yellowish-white to pale orange fine crystalline powder. Odorless. Aqueous solution is acidic. Colorless to pH 8.5; pink to deep-red above pH 9. Colorless in presence of large amounts of alkali. Tasteless. (NTP, 1992)
Color/Form	White or yellowish-white minute, triclinic crystals, often twinned
Odor	ODORLESS
Melting Point	496 to 504 °F (NTP, 1992)
Solubility	less than 1 mg/mL at 66 °F (NTP, 1992)
Density	1.299 at 77 °F (NTP, 1992) - Denser than water; will sink
Vapor Pressure	6.7X10-13 mm Hg @ 25 °C /Estimated/
LogP	2.41
Henry's Law Constant	Henry's Law constant = 9.0X10-16 atm-cu m/mol @ 25 °C /Estimated/
Stability/Shelf Life	Stable in air.
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
Dissociation Constants	9.7 (at 25 °C)
Collision Cross Section	172.1 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties	Solutions are colorless to pH 8.5; pink to deep-red, above pH 9
Chemical Classes	Dyes -> Indicator Dyes

SAFETY INFORMATION

Signal word	Danger
Pictogram(s)	Exclamation Mark Irritant GHS07 Health Hazard GHS08
GHS Hazard Statements	H315:Skin corrosion/irritation H341:Germ cell mutagenicity H350:Carcinogenicity
Precautionary Statement Codes	P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P308+P313:IF exposed or concerned: Get medical advice/attention. P332+P313:IF SKIN irritation occurs: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight	318.3 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	318.08920892 g/mol
Monoisotopic Mass	318.08920892 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	438
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

PRODUCT INTRODUCTION

description

Phenolphthalein appears as white or yellowish-white to pale orange fine crystalline powder. Odorless. Aqueous solution is acidic. Colorless to pH 8.5; pink to deep-red above pH 9. Colorless in presence of large amounts of alkali. Tasteless. (NTP, 1992)