Ethyl 2-ethyl-3-hydroxybutanoate

HCID 231986
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Basic information

CAS
5465-11-2
Standard SMILES
CCOC(=O)C(CC)C(C)O
InChIKey
TYSBSICHVQCQDL-UHFFFAOYSA-N
Molecular formula
C8H16O3
Average molar mass
160.21 g/mol
Monoisotopic mass
160.10994437

Names & identifiers

Preferred name
Ethyl 2-ethyl-3-hydroxybutanoate
IUPAC
ethyl 2-ethyl-3-hydroxybutanoate
English name
ethyl 2-ethyl-3-hydroxy-butanoate
Molecular formula
C8H16O3
Molecular weight
160.21

Names & synonyms

Ethyl 2-ethyl-3-hydroxybutanoate5465-11-2DTXSID90282959RefChem:342799DTXCID90234110ETHYL 2-ETHYL-3-HYDROXY-BUTANOATENSC28980SCHEMBL638162Ethyl2-ethyl-3-hydroxybutanoateEthyl 2-ethyl-3-hydroxybutyrateEthyl 2-ethyl-3-hydroxybutanoate #NSC-28980
Show more names
AKOS011681935CS-0236824EN300-173624Butanoic acid, 2-ethyl-3-hydroxy-, ethyl ester

Database identifiers

CAS
5465-11-2
PubChem CID
231986
DTXSID
DTXSID90282959

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
11

Physicochemical properties

Boiling point
102 · 102-105 °C(Press: 15 Torr)
Density
0.97366 g/cm3 · 0.97366 g/cm3(Temp: 30 °C)
pka
14.51 · 14.51±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers1 total

常州合晶化工有限公司85528066 13775048983 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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