Basic information
- CAS
2687-96-9- Standard SMILES
CCCCCCCCCCCCN1CCCC1=O- InChIKey
NJPQAIBZIHNJDO-UHFFFAOYSA-N- Molecular formula
- C16H31NO
- Average molar mass
- 253.42 g/mol
- Monoisotopic mass
- 253.24056461
Overview
1-dodecylpyrrolidin-2-one is pyrrolidin-2-one substituted at nitrogen by an n-dodecyl group. It has a role as an epitope.
Names & identifiers
- Preferred name
- 1-Lauryl-2-pyrrolidone
- IUPAC
- 1-dodecylpyrrolidin-2-one
- English name
- 1-Lauryl-2-pyrrolidone
- Molecular formula
- C16H31NO
- Molecular weight
- 253.42
Names & synonyms
1-Lauryl-2-pyrrolidoneRefChem:4321501-dodecylpyrrolidin-2-one2687-96-91-DODECYL-2-PYRROLIDINONELauryl pyrrolidoneN-DodecylpyrrolidinoneN-Lauryl-2-pyrrolidone1-Dodecyl-2-pyrrolidone2-Pyrrolidinone, 1-dodecyl-n-(n-dodecyl)pyrrolidinoneN-dodecyl-2-pyrrolidone
Show more names
Creastar Au-ExSulfadone LP-300N-LaurylpyrrolidoneN-DODECYLPYRROLIDONE1-dodecylpyrrolidone1-Lauryl-2-pyrrolido
UNII-3P14VW8FNY3P14VW8FNYBRN 0155011C16H31NODTXSID4042206CHEBI:146192EC 403-730-1laurylpyrrolidone
Database identifiers
- CAS
2687-96-9- PubChem CID
- 62459
- DTXSID
DTXSID4042206- ChEMBL
CHEMBL3186490- ChEBI
CHEBI:146192- UNII
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
CosmeticsCleansing; Hair conditioning; Surfactant
Physical DescriptionLiquid
Collision Cross Section176.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4042206]
Physicochemical properties
- Melting point
- 4 °C · 4°C
- Boiling point
- 202 · 202-205 °C11 mm Hg(lit.)
- Density
- 0.89 g/mL · 0.89 g/mL at 25 °C(lit.)
- vapor pressure
- 0.002 Pa · 0.002Pa at 25℃
- refractive index
- 20 · n20/D 1.466(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- viscous liquid
- pka
- -0.43 · -0.43±0.20(Predicted)
Safety & regulation
GHS classification
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Danger
H314 (89.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 2-Pyrrolidinone, 1-dodecyl-
2-Pyrrolidinone, 1-dodecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1-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: 31-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/15673
1-Dodecyl-2-pyrrolidone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Corr. 1B (89.5%)
Skin Corr. 1B (100%)
Skin corrosion - category 1B
Skin Corr. 1B
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UY5768000
- ridadr
- UN 3267 8/PG 3
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
Household ProductsInformation on 6 consumer products that contain Lauryl pyrrolidone in the following categories is provided:
Use ClassificationCosmetics -> Cleansing; Hair conditioning; Surfactant
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
2-Pyrrolidinone, 1-dodecyl-: ACTIVE
Applications
Uses1-Dodecyl-2-pyrrolidinone was used in the preparation of few-layered flakes of molybdenum disulfide (MoS2) via liquid phase exfoliation of bulk MoS2 powder.
General Description1-Dodecyl-2-pyrrolidinone is an N-alkyl lactam and its reduction with LiH3BNMe2 to the corresponding amine has been reported. It is a potential melatonin-specific chemical penetration enhancer.
Upstream & downstream products
Upstream raw materials
Related reactions
13 records
Compound notes
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