Basic information
- CAS
16048-76-3- Standard SMILES
CCC(C(=O)O)C(O)C(=O)O- InChIKey
JUCRENBZZQKFGK-UHFFFAOYSA-N- Molecular formula
- C6H10O5
- Average molar mass
- 162.14 g/mol
- Monoisotopic mass
- 162.05282342
Overview
3-ethylmalic acid is the 2-hydroxy-3-ethyl derivative of succinic acid. It is functionally related to a succinic acid. It is a conjugate acid of a 3-ethylmalate(2-).
Names & identifiers
- Preferred name
- 2-Ethyl-3-hydroxybutanedioic acid
- IUPAC
- 2-ethyl-3-hydroxybutanedioic acid
- English name
- Butanedioic acid, 2-ethyl-3-hydroxy-
- Molecular formula
- C6H10O5
- Molecular weight
- 162.14
Names & synonyms
2-ethyl-3-hydroxybutanedioic acid3-ethylmalic acid16048-76-33-EthylmalateSCHEMBL1332730SCHEMBL95999842-ethyl-3-hydroxybutanedioicacidCHEBI:15591AKOS0147772703-Ethylmalic acid, >=95.0% (HPLC)C01989EN300-843444
Show more names
2-ethyl-3-hydroxysuccinic acidButanedioic acid, 2-ethyl-3-hydroxy-
H37834Q61041488
Database identifiers
- CAS
16048-76-3- PubChem CID
- 439619
- ChEBI
CHEBI:15591- EC Number
- 809-204-1
- Nikkaji
- J1.306.755D
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 304 · 304.0±27.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.34(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers1 total
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
Additional notes
DefinitionChEBI: 3-ethylmalic acid is the 2-hydroxy-3-ethyl derivative of succinic acid. It is functionally related to a succinic acid. It is a conjugate acid of a 3-ethylmalate(2-).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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