Phenol, 3,5-dimethyl-, 1,1′,1′′-phosphate

CAS Registry Number®

25653-16-1

CAS Name

Phenol, 3,5-dimethyl-, 1,1′,1′′-phosphate

Molecular Formula

C24H27O4P

Molecular Mass

410.44

Cite this Page

Phenol, 3,5-dimethyl-, 1,1′,1′′-phosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25653-16-1 (retrieved 2024-11-28) (CAS RN: 25653-16-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    290 °C @ Press: 10 Torr

  • Melting Point (1)

    46 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C24H27O4P/c1-16-7-17(2)11-22(10-16)26-29(25,27-23-12-18(3)8-19(4)13-23)28-24-14-20(5)9-21(6)15-24/h7-15H,1-6H3

InChIKey

InChIKey=LLPMAOBOEQFPRE-UHFFFAOYSA-N

SMILES

O(P(OC1=CC(C)=CC(C)=C1)(OC2=CC(C)=CC(C)=C2)=O)C3=CC(C)=CC(C)=C3

Canonical SMILES

O=P(OC=1C=C(C=C(C1)C)C)(OC=2C=C(C=C(C2)C)C)OC=3C=C(C=C(C3)C)C

Other Names for this Substance

  • Phenol, 3,5-dimethyl-, 1,1′,1′′-phosphate
  • 3,5-Xylenol, phosphate (3:1)
  • Phenol, 3,5-dimethyl-, phosphate (3:1)
  • 3,5-Xylyl phosphate
  • 3,5-Xylyl phosphate ((C8H9O)3PO)

View All

Deleted or Replaced CAS Registry Numbers

3862-10-0

CAS INSIGHTSTM
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