Basic information
- CAS
106917-31-1- Standard SMILES
CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O- InChIKey
VXTRPEFUPWORNH-UHFFFAOYSA-N- Molecular formula
- C27H48N2O3
- Average molar mass
- 448.7 g/mol
- Monoisotopic mass
- 448.3664934
Names & identifiers
- Preferred name
- 2,5-Pyrrolidinedione, 1-(1-acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-3-dodecyl-
- IUPAC
- 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
- English name
- N-(1-ACETYL-2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)-2-DODECYLSUCCINIMIDE
- Molecular formula
- C27H48N2O3
- Molecular weight
- 448.68
Names & synonyms
Show more names
Database identifiers
- CAS
106917-31-1- PubChem CID
- 3034263
- DTXSID
DTXSID1044778- EC Number
- 411-930-5、627-793-1
- Nikkaji
- J1.056.660F
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 637
Experimental & physicochemical properties
Physicochemical properties
- Boiling point
- 222 °C · 222 °C(lit.)
- Density
- 0.977 g/mL · 0.977 g/mL at 25 °C(lit.)
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- refractive index
- 20 · n20/D 1.495(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- -1.31 · -1.31±0.70(Predicted)
- Water Solubility
- 50 μg/L · 50μg/L at 20℃
- InChI
- 1S/C27H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-22-18-24(31)28(25(22)32)23-19-26(3,4)29(21(2)30)27(5,6)20-23/h22-23H,7-20H2,1-6H3
- InChIKey
- VXTRPEFUPWORNH-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O
- LogP
- 7.439 at · 7.439 at 25℃
- FDA 21 CFR
- 181.29 · 181.29
- EPA Substance Registry System
- 1 · Piperidine, 1-acetyl-4-(3-dodecyl-2,5-dioxo-1-pyrrolidinyl)-2,2,6,6-tetramethyl- (106917-31-1)
- UNSPSC Code
- 12162002 · 12162002
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H410
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 23 · 23-26-36/37/39-45
- RIDADR
- 3267 · UN 3267 8/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation];H317: May cause an allergic skin reaction [Warning Sensitization, Skin];H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
Hazard information
Regulatory Information
Chemical: 2,5-Pyrrolidinedione, 1-(1-acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-3-dodecyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
2,5-Pyrrolidinedione, 1-(1-acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-3-dodecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,5-Pyrrolidinedione, 1-(1-acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-3-dodecyl- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28057;Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8412
Piperidine, 1-acetyl-4-(3-dodecyl-2,5-dioxo-1-pyrrolidinyl)-2,2,6,6-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (100%);Skin Sens. 1 (100%);Aquatic Acute 1 (97.4%);Aquatic Chronic 1 (100%)
Skin Irrit. 2 (100%);Skin Sens. 1 (100%);Aquatic Acute 1 (100%);Aquatic Chronic 1 (100%)
Skin irritation - category 2;Skin sensitisation - category 1;Hazardous to the aquatic environment (acute) - category 1;Hazardous to the aquatic environment (chronic) - category 1
Skin Irrit. 2;Skin Sens. 1;Aquatic Acute 1;Aquatic Chronic 1
Regulatory information
Regulatory Information
Chemical: 2,5-Pyrrolidinedione, 1-(1-acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-3-dodecyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
2,5-Pyrrolidinedione, 1-(1-acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-3-dodecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,5-Pyrrolidinedione, 1-(1-acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-3-dodecyl- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/28057;Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8412
Piperidine, 1-acetyl-4-(3-dodecyl-2,5-dioxo-1-pyrrolidinyl)-2,2,6,6-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3267 8/PG 2
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- C
- safety_code
- 23-26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- packing_group
- II
- Hazard statements
- H315-H317-H410
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Paint and Coating Manufacturing;Transportation Equipment Manufacturing
2,5-Pyrrolidinedione, 1-(1-acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-3-dodecyl-: ACTIVE
Suppliers3 total
Related reactions
Compound notes
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