Basic information
- CAS
21838-75-5- Standard SMILES
CCC(O)CNCC(O)CC- InChIKey
KQIXMZWXFFHRAQ-UHFFFAOYSA-N- Molecular formula
- C8H19NO2
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.14157885
Names & identifiers
- Preferred name
- 1-(2-Hydroxybutylamino)butan-2-ol
- IUPAC
- 1-(2-hydroxybutylamino)butan-2-ol
- English name
- Dibutanolamine
- Molecular formula
- C8H19NO2
- Molecular weight
- 161.24
Names & synonyms
Dibutanolamine21838-75-51-(2-hydroxybutylamino)butan-2-ol1-[(2-hydroxybutyl)amino]butan-2-ol1,1'-azanediylbis(butan-2-ol)SCHEMBL5881442-Butanol, 1,1'-iminobis-SCHEMBL106890661,1'-Azanediyldi(butan-2-ol)DTXSID60871990KQIXMZWXFFHRAQ-UHFFFAOYSA-NG49192
Show more names
EN300-7715976
Database identifiers
- CAS
21838-75-5- PubChem CID
- 30829
- DTXSID
DTXSID60871990- EC Number
- 606-844-1
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 78.2
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 256 °C · 256 °C
- Density
- 0.976 · 0.976±0.06 g/cm3(Predicted)
- pka
- 14.53 · 14.53±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2-Butanol, 1,1'-iminobis- (21838-75-5)
- 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.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2A (100%)
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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