Basic information
- CAS
15112-52-4- Standard SMILES
CCOC(=O)C(C(=O)O)C(C)C- InChIKey
HIAMVOUYSXARIQ-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- 2-(Ethyl carboxy)-3-methylbutanoic acid
- IUPAC
- 2-ethoxycarbonyl-3-methylbutanoic acid
Names & synonyms
2-(ethyl carboxy)-3-methylbutanoic acidRefChem:460897833-642-215112-52-42-(ethoxycarbonyl)-3-methylbutanoic acid2-Isopropyl-malonic acid monoethyl ester2-ethoxycarbonyl-3-methylbutanoic acidNSC157563orb3143980SCHEMBL1562034DTXSID30303258HIAMVOUYSXARIQ-UHFFFAOYSA-N
Show more names
QAA11252TYD-03319NSC-1575632-ethoxycarbonyl-3-methyl-butanoic acidDB-201999EN300-140825G520462-(1-Methylethyl)propanedioic acid 1-ethyl ester
Database identifiers
- CAS
15112-52-4- PubChem CID
- 291973
- DTXSID
DTXSID30303258- EC Number
- 833-642-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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
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