1-octyl-2-pyrrolidone (CAS 2687-94-7) — formula C12H23NO, molecular weight 197.32; category organic chemicals.
Documented applications: Uses: Permitted for use as an inert ingredient in non-food pesticide products, [EPA], Use Classification: EPA Safer Chemical Functional Use Classes -> Surfactants, Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern, Cosmetics -> Cleansing, Surfactant, Foaming, Industry Uses: Solvent, Surfactant (surface active agent), Not Known or Reasonably Ascertainable, Intermediate, Consumer Uses: Soil amendments (fertilizers), Solvent, U.S. Production: 2023: 1, 000, 000 - <2, 500, 000 lb, 2022: 1, 000 - <5, 2021: 1, 2020: 1, General Manufacturing Information: Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, All Other Basic Organic Chemical Manufacturing, Printing Ink Manufacturing, 2-Pyrrolidinone, 1-octyl-: ACTIVE.
1-octyl-2-pyrrolidone is a carbon-based organic compound with CAS registry number 2687-94-7 and molecular formula C12H23NO (molecular weight 197.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2687-94-7
Its molecular formula C12H23NO comprises 12 C, 23 H, 1 N, 1 O atoms.
Also known as: 1-octyl-2-pyrrolidone · N-OCTYL-2-PYRROLIDONE
Category: organic chemicals
The CAS registry number of 1-octyl-2-pyrrolidone is 2687-94-7.
Molecular formula C12H23NO, molecular weight 197.32.
It is also registered under: 1-octyl-2-pyrrolidone, N-OCTYL-2-PYRROLIDONE.
Recorded applications: Uses: Permitted for use as an inert ingredient in non-food pesticide products, [EPA], Use Classification: EPA Safer Chemical Functional Use Classes -> Surfactants, Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern, Cosmetics -> Cleansing, Surfactant, Foaming, Industry Uses: Solvent, Surfactant (surface active agent), Not Known or Reasonably Ascertainable, Intermediate, Consumer Uses: Soil amendments (fertilizers), Solvent, U.S. Production: 2023: 1, 000, 000 - <2, 500, 000 lb, 2022: 1, 000 - <5, 2021: 1, 2020: 1, General Manufacturing Information: Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, All Other Basic Organic Chemical Manufacturing, Printing Ink Manufacturing, 2-Pyrrolidinone, 1-octyl-: ACTIVE.
Category: Organic Chemicals.
Public-database records for 1-octyl-2-pyrrolidone (CAS 2687-94-7), reproduced here for independent cross-checking.
| Reported hazard statements | H314, H411, H318 (32.6%) |
|---|
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
| Regulatory & Food Contact | CIR / INCI: Surfactant; Foaming; Cleansing |
|---|
| CAS Registry Number | 2687-94-7 |
|---|---|
| PubChem CID | 3033871 |
| 分子式 | C12H23NO |
| IUPAC 名称 | 1-octylpyrrolidin-2-one |
| UNII（FDA） | N8YJ26SB8V |
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
| 分子量 | 197.32 |
|---|---|
| XLogP3 | 3.2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 7 |
| 精确质量 | 197.177964357 |
| 单同位素质量 | 197.177964357 |
| 拓扑极性表面积 | 20.3 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
1-octyl-2-pyrrolidone · CAS 2687-94-7 · C12H23NO. UNII N8YJ26SB8V.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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