N-Caprylyldiethanolamine
Basic information
- CAS
15520-05-5- Standard SMILES
CCCCCCCCN(CCO)CCO- InChIKey
QZQNMMLYACBCMJ-UHFFFAOYSA-N- Molecular formula
- C12H27NO2
- Average molar mass
- 217.35 g/mol
- Monoisotopic mass
- 217.2041791
Names & identifiers
- Preferred name
- N-Caprylyldiethanolamine
- IUPAC
- 2-[2-hydroxyethyl(octyl)amino]ethanol
- English name
- 2,2'-(octylimino)bisethanol
- Molecular formula
- C12H27NO2
- Molecular weight
- 217.35
Names & synonyms
15520-05-5Ethanol, 2,2'-(octylimino)bis-2,2'-(Octylimino)bisethanolN-Caprylyldiethanolamine2,2'-(octylimino)diethanolEINECS 239-555-0HLR7HK4J1PN,N-Bis(2-hydroxyethyl)octylamineoctyldiethanolaminen-octyldiethanolamineHETOXAMINE OT 2DIETHANOLOCTYLAMINE
Show more names
'- (octylimino) diethanol3-Octyl-3-azapentane-1,5-diolbis-(2-hydroxy-ethyl)-octyl-amine2,2-(OCTYLAZANEDIYL)BIS(ETHAN-1-OL)
FOMAITO 2E8DTXSID3065906RefChem:829455DTXCID40349982,2'-(Octylazanediyl)diethanol2-[2-hydroxyethyl(octyl)amino]ethanolMFCD062521602-[(2-hydroxyethyl)(octyl)amino]ethan-1-ol
Database identifiers
- CAS
15520-05-5- PubChem CID
- 84963
- DTXSID
DTXSID3065906- UNII
- HLR7HK4J1P
- EC Number
- 239-555-0
- Nikkaji
- J317.952D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 170 · 170-180 °C(Press: 4 Torr)
- Density
- 0.949 · 0.949±0.06 g/cm3(Predicted)
- vapor pressure
- 0.008 Pa · 0.008Pa at 20℃
- storage temp.
- 2 · 2-8°C
- pka
- 14.41 · 14.41±0.10(Predicted)
- Water Solubility
- 1.4 g/L · 1.4g/L at 20℃
- Cosmetics Ingredients Functions
- VISCOSITY CONTROLLINGSURFACTANT - CLEANSINGCLEANSINGSURFACTANT - EMULSIFYING
- LogP
- 2.82 at · 2.82 at 20℃
- FDA UNII
- 7 HK4J1P · HLR7HK4J1P
- EPA Substance Registry System
- 2 · Ethanol, 2,2'-(octylimino)bis- (15520-05-5)
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
Danger
H302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 184 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanol, 2,2'-(octylimino)bis-
Ethanol, 2,2'-(octylimino)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-(octylimino)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,2'-(octylimino)bisethanol (EC: 239-555-0)
Ethanol, 2,2'-(octylimino)bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (98.9%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 19,841 lb
Industry UsesCorrosion inhibitor
General Manufacturing Information
Fabricated Metal Product Manufacturing
Ethanol, 2,2'-(octylimino)bis-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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