7-Oxa-3,20-diazadispiro(5.1.11.2)heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl ester
Basic information
- CAS
85099-50-9- Standard SMILES
CCCCCCCCCCCCCCOC(=O)CCN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC12CCCCCCCCCCC2- InChIKey
OLBWDGJTEXRJLY-UHFFFAOYSA-N- Molecular formula
- C39H72N2O4
- Average molar mass
- 633 g/mol
- Monoisotopic mass
- 632.54920878
Names & identifiers
- Preferred name
- 7-Oxa-3,20-diazadispiro(5.1.11.2)heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl ester
- IUPAC
- tetradecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.118.26]henicosan-20-yl)propanoate
- English name
- 7-Oxa-3,20-diazadispiro5.1.11.2heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl ester
- Molecular formula
- C39H72N2O4
- Molecular weight
- 633
Names & synonyms
85099-50-97-Oxa-3,20-diazadispiro(5.1.11.2)heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl esterDTXSID00746337-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl esterRefChem:546954DTXCID6048464617-672-17-Oxa-3,20-diazadispiro5.1.11.2heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl esterSCHEMBL2165020OLBWDGJTEXRJLY-UHFFFAOYSA-NNS00020354Tetradecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11~8~.2~6~]henicosan-20-yl)propanoate
Show more names
7-oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetrame7-Oxa-3,20-diazadispiro(5.1.11)heneicosan-20-propansure, 2,2,4,4-tetramethyl-21-oxo-, tetradecylesterA mixture of: dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2)henicosan-20-yl)propionate
Properties
Computed structural properties
- XLogP
- 12
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 841
Physicochemical properties
- Boiling point
- 708.8 · 708.8±60.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 10.16 · 10.16±0.60(Predicted)
- EPA Substance Registry System
- 7 · 7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl ester (85099-50-9)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H411
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
- REACH Registrations
- Active
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, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information
Chemical: 7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: A mixture of: dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2)henicosan-20-yl)propionate; tetradecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro(5.1.11.2)henicosan-20-yl)propionate (EC: 400-580-9)
7-Oxa-3,20-diazadispiro5.1.11.2heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl ester: 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 Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H411
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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