Basic information
- CAS
19878-71-8- Standard SMILES
CCOC(C)CC(=O)O- InChIKey
OPXOAENGHZNGBT-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- 3-Ethoxybutanoic acid
- IUPAC
- 3-ethoxybutanoic acid
Names & synonyms
3-ethoxybutanoic acid19878-71-83-ethoxybutyric acidSCHEMBL156206SCHEMBL211006EN300-1845498
Database identifiers
- CAS
19878-71-8- PubChem CID
- 20508399
- EC Number
- 170-846-4
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…