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77-09-8

77-09-8 structure
77-09-8 structure
Name Phenolphthalein
Synonyms Evac-U-Gen
a-(p-Hydroxyphenyl)-a-(4-oxo-2,5-cyclohexadien-1-ylidine)-o-toluic Acid
Phenolphthalein
White phenolphthalein
Evac-Q-Kit
Ex-Lax
Evac-Q-Tabs
MFCD00005913
Chocolax
EINECS 201-004-7
Evac-Q-Kwik
3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofurunone
1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-
5-18-04-00188 (Beilstein Handbook Reference)
Colax
Purgophen (VAN)
Feen-A-Mint Laxative Mints
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one
Evac-V-Lax
Density 1.4±0.1 g/cm3
Boiling Point 557.8±50.0 °C at 760 mmHg
Melting Point 258-263 °C
Molecular Formula C20H14O4
Molecular Weight 318.323
Flash Point 206.5±23.6 °C
Exact Mass 318.089203
PSA 66.76000
LogP 2.63
Vapour Pressure 0.0±1.6 mmHg at 25°C
Index of Refraction 1.693
Stability Stable. Incompatible with strong oxidizing agents, alkalies.
Water Solubility <0.1 g/100 mL

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SM8380000
CHEMICAL NAME :
Phenolphthalein
CAS REGISTRY NUMBER :
77-09-8
BEILSTEIN REFERENCE NO. :
0284423
LAST UPDATED :
199803
DATA ITEMS CITED :
20
MOLECULAR FORMULA :
C20-H14-O4
MOLECULAR WEIGHT :
318.34
WISWESSER LINE NOTATION :
T56 BVO DHJ D- D-/R DQ 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
29 mg/kg
TOXIC EFFECTS :
Gastrointestinal - gastritis Gastrointestinal - nausea or vomiting Kidney, Ureter, Bladder - other changes in urine composition
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
324 gm/kg/13W-C
TOXIC EFFECTS :
Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
106 gm/kg/13W-C
TOXIC EFFECTS :
Liver - changes in liver weight Blood - changes in erythrocyte (RBC) count Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
364 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors Endocrine - adrenal cortex tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
281 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Endocrine - tumors Skin and Appendages - tumors
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
50 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 341,151,1995 *** REVIEWS *** TOXICOLOGY REVIEW DAPOAG Deutsche Apotheker. (Postfach 1650, 6370 Oberusel/Taunas, Fed. Rep. Ger.) V.1- 1949- Volume(issue)/page/year: 27,151,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T0011 No. of Facilities: 8 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 31 (estimated) NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 56240 No. of Facilities: 6160 (estimated) No. of Industries: 102 No. of Occupations: 43 No. of Employees: 43092 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9187 No. of Facilities: 117 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 1946 (estimated) No. of Female Employees: 1408 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 56240 No. of Facilities: 6900 (estimated) No. of Industries: 89 No. of Occupations: 57 No. of Employees: 73297 (estimated) No. of Female Employees: 18309 (estimated)
Symbol GHS02 GHS07 GHS08
GHS02, GHS07, GHS08
Signal Word Danger
Hazard Statements H225-H319-H341-H350
Precautionary Statements P201-P210-P280-P308 + P313-P337 + P313-P403 + P235
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful
Risk Phrases R22;R40
Safety Phrases S45-S36/37-S33-S24-S16-S7
RIDADR UN 1993
RTECS SM8380000
Hazard Class 3.0
HS Code 29322910
85-44-9 structure

85-44-9

108-95-2 structure

108-95-2

~96%

77-09-8 structure

77-09-8

Literature: Sabnis, Ram W. Tetrahedron Letters, 2009 , vol. 50, # 46 p. 6261 - 6263
85-57-4 structure

85-57-4

108-95-2 structure

108-95-2

~%

77-09-8 structure

77-09-8

Literature: Ghatak Bl. Acad. Sci. Agra Oudh, 1933 , vol. 2, p. 253,255
85-44-9 structure

85-44-9

108-95-2 structure

108-95-2

~%

77-09-8 structure

77-09-8

596-24-7 structure

596-24-7

Literature: Baeyer Justus Liebigs Annalen der Chemie, 1882 , vol. 212, p. 349 Full Text Show Details Meyer,R. Chemische Berichte, 1891 , vol. 24, p. 1414,2600 Chemische Berichte, 1893 , vol. 26, p. 205 Full Text Show Details Baeyer Chemische Berichte, 1871 , vol. 4, p. 659 Chemische Berichte, 1876 , vol. 9, p. 1233 Full Text Show Details Baeyer Justus Liebigs Annalen der Chemie, 1880 , vol. 202, p. 56,63
62625-15-4 structure

62625-15-4

~%

77-09-8 structure

77-09-8

Literature: Nishizawa, Masako; Yabusaki, Yoshiyasu; Kanaoka, Masaharu Bioscience, Biotechnology and Biochemistry, 2011 , vol. 75, # 1 p. 89 - 94
88-99-3 structure

88-99-3

108-95-2 structure

108-95-2

~%

77-09-8 structure

77-09-8

Literature: Copisarow Journal of the Chemical Society, 1920 , vol. 117, p. 215
509-77-3 structure

509-77-3

~%

77-09-8 structure

77-09-8

Literature: Baeyer Chemische Berichte, 1879 , vol. 12, p. 644 Justus Liebigs Annalen der Chemie, 1880 , vol. 202, p. 52
84755-69-1 structure

84755-69-1

~%

77-09-8 structure

77-09-8

Literature: Yamaguchi; Mori; Suketa Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 1 p. 159 - 163
HS Code 29322910
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