(4-Hydroxybutyl) hydrogen succinate
Basic information
- CAS
56149-52-1- Standard SMILES
O=C(O)CCC(=O)OCCCCO- InChIKey
KCROXMKUVBDUMP-UHFFFAOYSA-N- Molecular formula
- C8H14O5
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.08412355
Names & identifiers
- Preferred name
- (4-Hydroxybutyl) hydrogen succinate
- IUPAC
- 4-(4-hydroxybutoxy)-4-oxobutanoic acid
- English name
- (4-hydroxybutyl) hydrogen succinate
- Molecular formula
- C8H14O5
- Molecular weight
- 190.19
Names & synonyms
(4-Hydroxybutyl) hydrogen succinate56149-52-14-(4-hydroxybutoxy)-4-oxobutanoic acidButanedioic acid,1-(4-hydroxybutyl) esterEINECS 260-022-3CBDivE_003058SCHEMBL1132171DTXSID40204686KCROXMKUVBDUMP-UHFFFAOYSA-N4-(4-hydroxybutoxy)-4-oxo-butanoic acidAS-77053NS00033467
Show more names
butyldiacid1-(4-hydroxybutyl)esterSuccinic acid 1-(4-hydroxybutyl) esterButanedioic acid hydrogen 1-(4-hydroxybutyl) ester
D93505
Database identifiers
- CAS
56149-52-1- PubChem CID
- 92032
- DTXSID
DTXSID40204686- EC Number
- 260-022-3
- Nikkaji
- J296.589E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 373.6 · 373.6±27.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 4.43 · 4.43±0.17(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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