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Substance Name: 4-Methyl-4-phenyl-1,3-dioxane
RN: 1200-73-3
InChIKey: UWMUVCPSXOGVND-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Name of Substance

  • 4-Methyl-4-phenyl-1,3-dioxane

Synonyms

  • 4-Methyl-4-phenyl-1,3-dioxane
  • 4-Phenyl-4-methyl-1,3-dioxane
  • 5-19-01-00481 (Beilstein Handbook Reference)
  • BRN 0139480
  • EINECS 214-854-9
  • NSC 345693

Systematic Names

  • 1,3-Dioxane, 4-methyl-4-phenyl-
  • 4-Methyl-4-phenyl-1,3-dioxane

Registry Numbers

CAS Registry Number

  • 1200-73-3

System Generated Number

  • 0001200733

Structure Descriptors

InChI

1S/C11H14O2/c1-11(7-8-12-9-13-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3

InChIKey

UWMUVCPSXOGVND-UHFFFAOYSA-N

Smiles

O1[C@@](c2ccccc2)(CCOC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2730mg/kg (2730mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(11), Pg. 51, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 37.5 deg C   EXP
Boiling Point 256 deg C   EXP
log P (octanol-water) 2.270 (none)   EST
Atmospheric OH Rate Constant 2.66E-11 cm3/molecule-sec 25 EST

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