Basic information
- CAS
3031-73-0- Standard SMILES
COO- InChIKey
MEUKEBNAABNAEX-UHFFFAOYSA-N- Molecular formula
- CH4O2
- Average molar mass
- 48.041 g/mol
- Monoisotopic mass
- 48.02112937
Names & identifiers
- Preferred name
- Methyl hydroperoxide
- IUPAC
- hydroperoxymethane
- English name
- CH3OOH
- Molecular formula
- CH4O2
- Molecular weight
- 48.04
Names & synonyms
Methyl hydroperoxide3031-73-0CCRIS 4486DTXSID10184401RefChem:157897DTXCID80106892hydroperoxymethaneCH3OOHmethaneperoxolmethanol oxideHydroperoxide, methylSCHEMBL3062
Show more names
METHYLHYDROPEROXIDEHydroperoxide, methyl (9CI)
SCHEMBL131007SCHEMBL190528SCHEMBL787762SCHEMBL1392664SCHEMBL2677963SCHEMBL6853062
Database identifiers
- CAS
3031-73-0- PubChem CID
- 18199
- DTXSID
DTXSID10184401- Nikkaji
- J329.694F
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 2.8
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- -72 °C · -72°C
- Boiling point
- 46 °C · 46 °C
- Density
- 0.9967 g/cm3 · 0.9967 g/cm3(Temp: 15 °C)
- refractive index
- 1.329 · 1.3290 (estimate)
- pka
- 11.25 · 11.25±0.10(Predicted)
- Henry's Law Constant
- 3 · 3.0×100 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
Chemistry & industry
Suppliers2 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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