2-(2-Hydroxyethylamino)ethanol;octadec-9-enoic acid
Basic information
- CAS
13961-86-9- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)O.OCCNCCO- InChIKey
KQHZEKNQJJSVDN-UHFFFAOYSA-N- Molecular formula
- C22H45NO4
- Average molar mass
- 387.6 g/mol
- Monoisotopic mass
- 387.33485892
Names & identifiers
- Preferred name
- 2-(2-Hydroxyethylamino)ethanol;octadec-9-enoic acid
- IUPAC
- 2-(2-hydroxyethylamino)ethanol;octadec-9-enoic acid
Names & synonyms
Oleic acid, compound with 2,2'-iminodiethanol (1:1)SCHEMBL242881
Database identifiers
- CAS
13961-86-9- PubChem CID
- 26355
- EC Number
- 237-740-0
Properties
Computed structural properties
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 262
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
This chemical does not meet GHS hazard criteria for 58.7% (54 of 92) of all reports.
Danger
H315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 92 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (15.2%)
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Related reactions
0 records
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Compound notes
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