1-octyl-2-pyrrolidone

Description

1-octyl-2-pyrrolidone · CAS 2687-94-7 · C12H23NO. UNII N8YJ26SB8V.

Identification

CAS Registry Number	2687-94-7
PubChem CID	3033871
Molecular formula	C12H23NO
IUPAC name	1-octylpyrrolidin-2-one
UNII (FDA)	N8YJ26SB8V

Computed Descriptors

Molecular Weight	197.32
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	197.177964357
Monoisotopic Mass	197.177964357
Topological Polar Surface Area	20.3
Heavy Atom Count	14
Formal Charge	0

Physical description & handling notes

• Liquid
• Colorless viscous liquid; [Aldrich MSDS]
• 158.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4036435]
• 158.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4036435]

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Surfactant; Foaming; Cleansing

GHS Hazard Classification

Reported hazard statements	H314, H411, H318 (32.6%)

Documented Uses

• EPA Safer Chemical Functional Use Classes -> Surfactants
• Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
• Cosmetics -> Surfactant; Foaming; Cleansing
• Surfactant (surface active agent)
• Not Known or Reasonably Ascertainable
• 2023: 1,000,000 - <2,500,000 lb

Synonyms

2687-94-7; 1-Octyl-2-pyrrolidone; N-Octylpyrrolidone; 2-Pyrrolidinone, 1-octyl-; n-(n-octyl)-2-pyrrolidone; DTXSID4036435; DTXCID2016435; RefChem:828515; 403-700-8; 608-013-9; 1-octylpyrrolidin-2-one; N-Octyl-2-pyrrolidone; 1-Octyl-2-pyrrolidinone; 1-n-Octyl-2-pyrrolidone; N-Octylpyrrolidinone; N-(n-octyl)-2-pyrrolidinone

Frequently Asked Questions

What are the CAS number and molecular formula of 1-octyl-2-pyrrolidone?

CAS 2687-94-7; molecular formula C12H23NO; molecular weight — g/mol.

What other names is 1-octyl-2-pyrrolidone known by?

2687-94-7, 1-Octyl-2-pyrrolidone, N-Octylpyrrolidone, 2-Pyrrolidinone, 1-octyl-, n-(n-octyl)-2-pyrrolidone, DTXSID4036435.

What is the regulatory status of 1-octyl-2-pyrrolidone?

Documented regulatory listings: CIR / INCI: Surfactant; Foaming; Cleansing.

Is 1-octyl-2-pyrrolidone classified as hazardous?

Hazard statements reported: H314, H411, H318.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.