4-Propan-2-yloxybutan-2-ol
Basic information
- CAS
40091-57-4- Standard SMILES
CC(O)CCOC(C)C- InChIKey
IVTACLGUUXBTMN-UHFFFAOYSA-N- Molecular formula
- C7H16O2
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 132.11502975
Names & identifiers
- Preferred name
- 4-Propan-2-yloxybutan-2-ol
- IUPAC
- 4-propan-2-yloxybutan-2-ol
- English name
- 4-(propan-2-yloxy)butan-2-ol
- Molecular formula
- C7H16O2
- Molecular weight
- 132.2
Names & synonyms
4-(propan-2-yloxy)butan-2-ol40091-57-44-propan-2-yloxybutan-2-ol2-Butanol, 4-(1-methylethoxy)-4-ISOPROPOXYBUTAN-2-OL4-isopropyloxy-2-butanol4-Propan-2-yloxy-2-butanolSCHEMBL2947395DTXSID10960540IVTACLGUUXBTMN-UHFFFAOYSA-NQBA091574-[(Propan-2-yl)oxy]butan-2-ol
Show more names
AKOS011042271CS-0239384EN300-211522
Database identifiers
- CAS
40091-57-4- PubChem CID
- 38387
- DTXSID
DTXSID10960540- Nikkaji
- J1.619.492A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 61.9
Physicochemical properties
- Boiling point
- 189.4 · 189.4±8.0 °C(Predicted)
- Density
- 0.889 · 0.889±0.06 g/cm3(Predicted)
- pka
- 14.98 · 14.98±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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