Bis(2-ethylhexyl) hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)
Basic information
- CAS
68649-38-7- Standard SMILES
CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.OCCNCCO- InChIKey
QCVJYWVDDHAGNP-UHFFFAOYSA-N- Molecular formula
- C20H46NO6P
- Average molar mass
- 427.6 g/mol
- Monoisotopic mass
- 427.30627518
Names & identifiers
- Preferred name
- Bis(2-ethylhexyl) hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)
- IUPAC
- bis(2-ethylhexyl) hydrogen phosphate;2-(2-hydroxyethylamino)ethanol
- English name
- Phosphoric acid, bis(2-ethylhexyl) ester with 2,2'-(coco alkylimino)bis(ethanol)
- Molecular formula
- C20H46NO6P
- Molecular weight
- 427.56
Names & synonyms
EINECS 301-598-9Bis(2-ethylhexyl) hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)RefChem:568732301-598-994023-03-7DTXSID20892101NS00091916Bis(2-ethylhexyl) hydrogen phosphate--2,2'-azanediyldi(ethan-1-ol) (1/1)Ethanol, 2,2'-iminobis-, bis(2-ethylhexyl) phosphate (1:1) (salt)Phosphoric acid, bis(2-ethylhexyl) ester with 2,2'-(coco alkylimino)bis(ethanol)Phosphoric acid, bis(2-ethylhexyl) ester, compd. with 2,2-(coco alkylimino)bisethanol
Database identifiers
- CAS
68649-38-7、94023-03-7- PubChem CID
- 44149201
- DTXSID
DTXSID20892101- EC Number
- 301-598-9
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- EPA Substance Registry System
- Bis(2-ethylhexyl) phosphate compd. with N,N-(coco alkyl)diethanolamine (68649-38-7)
- TSCA
- TSCA listed
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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%)
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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