1-Butoxy-2-propanol
Properties
- Molecular formula
- C7H16O2
- Molar mass
- 132.20 g/mol
- Exact mass
- 132.1150 Da
- Density
- 0.88 g/mL (at 20 °C)
- Boiling point
- 171.5 °C
- Flash point
- 63 °C (closed cup)
- Water solubility
- 60 g/L
- logP
- 1.18Crippen estimate
- Polar surface area
- 29.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
Harmonised EU classification (CLP Annex VI, index 603-052-00-8), via PubChem.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
5131-66-8SMILES
CCCCOCC(C)OInChIKey
RWNUSVWFHDHRCJ-UHFFFAOYSA-NInChI
InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 2-Propanol, 1-butoxy-
- 1-Methyl-3-oxa-1-heptanol
- 1,2-Propylene glycol 1-monobutyl ether
- 2-Hydroxy-3-butoxypropane
- NSC 2211
- Solvenon PnB
- 3-Butoxy-2-propanol
- 1-(n-Butoxy)propan-2-ol
- n-Butoxy-2-propanol
Work with 1-Butoxy-2-propanol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-Propoxy-2-propanol1569-01-375 % similar
Dipropylene glycol n-butyl ether29911-28-272 % similar
1,1'-Oxydi-2-propanol110-98-568 % similar
1-Ethoxy-2-propanol1569-02-458 % similar
1-(1-Methyl-2-propoxyethoxy)2-propanol29911-27-155 % similar
(R)-(-)-2-Hexanol26549-24-654 % similar
(S)-(+)-2-Hexanol52019-78-054 % similar
2-Hexanol626-93-754 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds