Basic information
- CAS
45889-43-8- Standard SMILES
O=C1CCCCCN1CCO- InChIKey
KZJHLERAPCHKAI-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- Hydroxyethylcaprolactam
- IUPAC
- 1-(2-hydroxyethyl)azepan-2-one
- English name
- 1-(2-Hydroxyethyl)-eta-caprolactam
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
1-(2-hydroxyethyl)azepan-2-one45889-43-8HydroxyethylcaprolactamDTXSID001966392H-Azepin-2-one, hexahydro-1-(2-hydroxyethyl)-RefChem:789480DTXCID90119130835-860-31-(2-HYDROXYETHYL)-ETA-CAPROLACTAMN-2-hydroxyethylcaprolactamSCHEMBL2790863SCHEMBL27445437
Show more names
VBA88943AKOS009562141CS-0252410EN300-60098G44910Z425794504
Database identifiers
- CAS
45889-43-8- PubChem CID
- 181752
- DTXSID
DTXSID00196639- EC Number
- 835-860-3
- Nikkaji
- J695.103A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 153 · 153-193 °C(Press: 5 Torr)
- Density
- 1.118 g/cm3 · 1.118 g/cm3
- pka
- 14.48 · 14.48±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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