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Substance Name: 1,3-Dioxane, 4-methyl-
RN: 1120-97-4
InChIKey: INCCMBMMWVKEGJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 
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Names and Synonyms

Synonyms

  • 4-Methyl-1,3-dioxane
  • 4-Methyl-m-dioxane
  • 4-Methyldioxane
  • 5-19-01-00054 (Beilstein Handbook Reference)
  • BRN 0102735
  • EINECS 214-323-1
  • NSC 292

Systematic Names

  • 1,3-Dioxane, 4-methyl-
  • 4-Methyl-1,3-dioxane
  • m-Dioxane, 4-methyl- (8CI)

Registry Numbers

CAS Registry Number

  • 1120-97-4

System Generated Number

  • 0001120974

Structure Descriptors

InChI

1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3

InChIKey

INCCMBMMWVKEGJ-UHFFFAOYSA-N

Smiles

C1[C@@H](OCOC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 47gm/m3/2H (47000mg/m3)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 811, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.45E+01 deg C   EXP
Boiling Point 114 deg C   EXP
log P (octanol-water) 0.600 (none)   EST
Water Solubility 3.53E+04 mg/L 25 EST
Vapor Pressure 19.2 mm Hg 25 EST
Henry's Law Constant 3.93E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-11 cm3/molecule-sec 25 EXP

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