Basic information
- CAS
134-38-3- Standard SMILES
CC1COCOC1c1ccc2c(c1)OCO2- InChIKey
VSBPRBXTUAKKSY-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Overview
structure
Names & identifiers
- Preferred name
- 5-(5-Methyl-1,3-dioxan-4-yl)-1,3-benzodioxole
- IUPAC
- 5-(5-methyl-1,3-dioxan-4-yl)-1,3-benzodioxole
- English name
- 5-(5-methyl-1,3-dioxan-4-yl)-1,3-benzodioxole
- Molecular formula
- C12H14O4
- Molecular weight
- 222.24
Names & synonyms
Safroxan5-(5-Methyl-1,3-dioxan-4-yl)-1,3-benzodioxole134-38-31,3-Benzodioxole, 5-(5-methyl-1,3-dioxan-4-yl)-DTXSID30883323RefChem:180829DTXCID801022861205-141-3SafroxaneEINECS 205-141-3NSC 406757AI3-05535
Show more names
5-Methyl-4-[3,3-dioxane5-Methyl-4-(3,4-(methylenedioxy)phenyl)-1,3-dioxaneSCHEMBL10550896SCHEMBL29371206VSBPRBXTUAKKSY-UHFFFAOYSA-N5-(5-METHYL-1,3-DIOXAN-4-YL)-2H-1,3-BENZODIOXOLENSC406757m-Dioxane,4-(methylenedioxy)phenyl]-
Database identifiers
- CAS
134-38-3- PubChem CID
- 101152
- DTXSID
DTXSID30883323- EC Number
- 205-141-3
- Nikkaji
- J5.594H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 40 °C · 40 °C
- Boiling point
- 150 °C · 150 °C(Press: 2.5 Torr)
- Density
- 1.2264 g/cm3 · 1.2264 g/cm3
- EPA Substance Registry System
- 1 · 1,3-Benzodioxole, 5-(5-methyl-1,3-dioxan-4-yl)- (134-38-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzodioxole, 5-(5-methyl-1,3-dioxan-4-yl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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