2,2-Diethyl-1,3-propanediol
Properties
- Molecular formula
- C7H16O2
- Molar mass
- 132.20 g/mol
- Exact mass
- 132.1150 Da
- Melting point
- 61.5 °C
- Boiling point
- 240.5 °C
- logP
- 0.78Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H319 Causes serious eye irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501
Identifiers
CAS number
115-76-4SMILES
CCC(CC)(CO)COInChIKey
XRVCFZPJAHWYTB-UHFFFAOYSA-NInChI
InChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1,3-Propanediol, 2,2-diethyl-
- DEP
- Prenderol
- DMP
- NSC 12211
- NSC 169507
Work with 2,2-Diethyl-1,3-propanediol
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
Trimethylolpropane77-99-687 % similar
Oxt-1013047-32-365 % similar
2-Butyl-2-ethyl-1,3-propanediol115-84-459 % similar
Pentaerythritol115-77-553 % similar
2-Amino-2-ethyl-1,3-propanediol115-70-848 % similar
1,1-Cyclopropanedimethanol39590-81-347 % similar
Trimethylolpropane-epichlorohydrin copolymer30499-70-846 % similar
Trimethylolpropane diallyl ether682-09-746 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds