Phenol, 3,5-dimethyl-, 1,1′,1′′-phosphate
CAS Registry Number®
25653-16-1
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CAS Name
Phenol, 3,5-dimethyl-, 1,1′,1′′-phosphateMolecular Formula
C24H27O4PMolecular Mass
410.44Cite 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 ) (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 TorrMelting 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)
Deleted or Replaced CAS Registry Numbers
3862-10-0
