Hydroperoxide, 1-methylethyl
Basic information
- CAS
3031-75-2- Standard SMILES
CC(C)OO- InChIKey
SGJUFIMCHSLMRJ-UHFFFAOYSA-N- Molecular formula
- C3H8O2
- Average molar mass
- 76.09 g/mol
- Monoisotopic mass
- 76.05242949
Names & identifiers
- Preferred name
- Hydroperoxide, 1-methylethyl
- IUPAC
- 2-hydroperoxypropane
- English name
- Isopropyl hydroperoxide
- Molecular formula
- C3H8O2
- Molecular weight
- 76.09
Names & synonyms
Hydroperoxide, 1-methylethyl3031-75-2DTXSID30184403RefChem:1087027DTXCID00106894Isopropyl hydroperoxidepropane-2-peroxol(CH3)2CHOOHSCHEMBL37443SCHEMBL126090SCHEMBL2316259SCHEMBL4095871
Show more names
2-(Hydroperoxy)propane1-Methylethyl hydroperoxideHydroperoxide, 1-methylethyl (9CI)Methylethyl hydroperoxide, 1-: (Isopropyl hydroperoxide)
SCHEMBL4601326SCHEMBL27504198SGJUFIMCHSLMRJ-UHFFFAOYSA-N7241-59-0
Database identifiers
- CAS
3031-75-2- PubChem CID
- 18200
- DTXSID
DTXSID30184403- Nikkaji
- J119.288D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 18.9
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 76.14 °C · 76.14°C (rough estimate)
- Density
- 0.8923 · 0.8923 (rough estimate)
- refractive index
- 1.4 · 1.4000 (estimate)
- pka
- 12.65 · 12.65±0.30(Predicted)
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 & protection
Protective Action Criteria (PAC)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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