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Substance Name: Cresol red
RN: 1733-12-6
UNII: 839K2R4B8K
InChIKey: OBRMNDMBJQTZHV-UHFFFAOYSA-N

Molecular Formula

  • C21-H18-O5-S

Molecular Weight

  • 382.4342
 
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Names and Synonyms

Name of Substance

  • Cresol red

Synonyms

  • 3',3''-Dimethylphenolsulfonephthalein
  • Cresol red
  • Cresolsulfophthalein
  • EINECS 217-064-2
  • NSC 7224
  • o-Cresol Red
  • o-Cresolsulfonephthalein
  • UNII-839K2R4B8K

Systematic Names

  • Cresol red
  • o-Cresol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide (8CI)
  • Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-methyl-
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-methyl-, S,S-dioxide (9CI)

Registry Numbers

CAS Registry Number

  • 1733-12-6

FDA UNII

  • 839K2R4B8K

Other Registry Number

  • 32210-84-7

Related Registry Number

  • 62625-29-0 (mono-hydrochloride salt)

System Generated Number

  • 0001733126

Structure Descriptors

InChI

1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3

InChIKey

OBRMNDMBJQTZHV-UHFFFAOYSA-N

Smiles

S1(OC(c2cc(C)c(cc2)O)(c2cc(C)c(cc2)O)c2c1cccc2)(=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point >300 deg C   EXP
log P (octanol-water) 4.300 (none)   EST
Atmospheric OH Rate Constant 9.95E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.