Hexanoic acid, 2-ethyl-, compd. with 2,2'-iminobis(ethanol) (1:1)
Basic information
- CAS
68528-01-8- Standard SMILES
CCCCC(CC)C(=O)O.OCCNCCO- InChIKey
ZHAXWGOFOMWSBS-UHFFFAOYSA-N- Molecular formula
- C12H27NO4
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.19400834
Names & identifiers
- Preferred name
- Hexanoic acid, 2-ethyl-, compd. with 2,2'-iminobis(ethanol) (1:1)
- IUPAC
- 2-ethylhexanoic acid;2-(2-hydroxyethylamino)ethanol
Names & synonyms
2-Ethylhexanoic acid diethanolamine salt68528-01-8DTXSID30887240EINECS 271-294-82-Ethylhexoic acid, diethanolamine saltRefChem:146185DTXCID501026545SCHEMBL5875355ZHAXWGOFOMWSBS-UHFFFAOYSA-N2-Ethylhexanoic acid, compound with 2,2'-iminodiethanol (1:1)2-Ethylhexanoic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)
Database identifiers
- CAS
68528-01-8、68954-48-3- PubChem CID
- 163239
- DTXSID
DTXSID30887240- EC Number
- 271-294-8
Properties
Computed structural properties
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 128
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 2-ethyl-, compd. with 2,2'-iminobis[ethanol] (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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