Basic information
- CAS
5582-86-5- Standard SMILES
CCOC(=O)C(O)(CC)CC- InChIKey
KWWWILDODXIJAO-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Overview
See also: Ethyl 2,2-diethylglycolate (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl 2-ethyl-2-hydroxybutanoate
- IUPAC
- ethyl 2-ethyl-2-hydroxybutanoate
- English name
- ETHYL 2,2-DIETHYLGLYCOLATE
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
ethyl 2-ethyl-2-hydroxybutanoate5582-86-5NSC166288SCHEMBL3430619DTXSID70304562AKOS011496338NSC-166288DA-04887ETHYL 2,2-DIETHYLGLYCOLATEButanoic acid, 2-ethyl-2-hydroxy-, ethyl ester
Database identifiers
- CAS
5582-86-5- PubChem CID
- 296283
- DTXSID
DTXSID70304562
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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