2687-94-7
1-octyl-2-pyrrolidone
CAS: 2687-94-7
Molecular Formula: C12H23NO
2687-94-7 - Names and Identifiers
| Name | 1-octyl-2-pyrrolidone |
| Synonyms | NOP N-OCTYL PYRROLIDONE N-ethyl pyrrolidone N-OCTYL-2-PYRROLIDONE 1-OCTYL-2-PYRROLIDONE 1-octyl-2-pyrrolidone 1-octyl-2-pyrrolidinon 1-OCTYL-2-PYRROLIDINONE 1-OCTYLPYRROLIDIN-2-ONE 1-N-OCTYL-2-PYRROLIDONE 2-Pyrrolidinone,1-octyl- N-(n-octyl)-2-pyrrolidinone |
| CAS | 2687-94-7 |
| EINECS | 403-700-8 |
| InChI | InChI=1/C12H23NO/c1-2-3-4-5-6-7-10-13-11-8-9-12(13)14/h2-11H2,1H3 |
| InChIKey | WPPOGHDFAVQKLN-UHFFFAOYSA-N |
2687-94-7 - Physico-chemical Properties
| Molecular Formula | C12H23NO |
| Molar Mass | 197.32 |
| Density | 0.92g/mLat 25°C(lit.) |
| Melting Point | −25°C(lit.) |
| Boling Point | 170-172°C15mm Hg(lit.) |
| Flash Point | >230°F |
| Water Solubility | 1.14-1.25g/L at 20℃ |
| Vapor Presure | 0.03-0.08Pa at 20℃ |
| Appearance | clear liquid |
| Specific Gravity | 0.92 |
| Color | Colorless to Yellow |
| BRN | 1526318 |
| pKa | -0.42±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.465(lit.) |
| Physical and Chemical Properties | Colorless and pure liquid. |
2687-94-7 - Risk and Safety
| Risk Codes | R34 - Causes burns R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S1/2 - Keep locked up and out of the reach of children. |
| UN IDs | UN 3267 8/PG 2 |
| WGK Germany | 2 |
| RTECS | UY5896000 |
| HS Code | 29339900 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 orl-rat: 2050 mg/kg FCTOD7 26,475,88 |
2687-94-7 - Nature
Open Data Verified Data
white or light colored liquid. Boiling point 145 C (40Pa). Melting point 10 °c. Flash point 116 °c. Density 0.9(g/cm3). Slightly soluble in water, soluble in most of the polar, non-polar solvents. It has good coordination ability and surface activity. Non-toxic. Non-flammable. Can be biodegradable.
Last Update：2024-01-02 23:10:35
2687-94-7 - Use
Open Data Verified Data
insecticide, cotton defoliant; Concentrated cleaning agent; Chemical reaction solvent; Pharmaceutical synthesis medium; Coating stripper in electronic industry; Pharmaceutical, pesticide and organic synthesis intermediate, surfactant, solvent; nonionic surfactants, daily chemical products, etc.
Last Update：2022-01-01 10:56:44
2687-94-7 - Reference Information
| LogP | 4.15 at 20℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | N-octylpyrrolidone (NOP) is a highly efficient and selective solvent, which can be applied to the recovery of organic raw materials, the refining of lubricating oil, the solvent for polymer and polymerization reaction; It is also widely used in the synthesis of fine chemicals such as drugs, pesticides, pigments, flavors and cleaning agents. |
| preparation | 0.80kg of 2-pyrrolidone and 20.8g of tetrabutylammonium bromide are put into the reaction kettle. the addition amount of tetrabutylammonium bromide is 2.6% of the mass of 2-pyrrolidone, stirring is started, and the mixed material is heated to a temperature of 85 ℃; Chloro n-n-octane is slowly dropped from the dropping tank to the reaction kettle for 10 hours, the mass of the added chloron-octane is 1.22kg, and the amount of 2-pyrrolidone before the reaction is about 1.146 times the molar amount of chloron-octane. Under normal pressure, the reaction temperature is controlled to 90 ℃, and N-octyl pyrrolidone (NOP) is prepared by stirring. After the reaction is completed, the crude materials are introduced into the rectification kettle, the pressure of the rectification kettle is controlled to be -0.07Mpa, the reflux ratio is 3, the fraction at 140~155 ℃ is collected, the rectification time is 2 hours, and the primary conversion rate is 85%. The primary conversion rate mainly refers to the mass percentage of the actual yield and theoretical yield of the product obtained in one reaction cycle after the end of the synthesis reaction. The remaining solution after rectification can be selected to participate in the synthesis reaction twice, or mixed with the reaction solution after the next rectification cycle for secondary rectification. Product specification: NOP content ≥ 98%, moisture ≤ 1%, impurity ≤ 1%. |
| use | efficient, safe, non-toxic skin penetrant, accelerator, surfactant, organic synthetic solvent. |
Last Update：2024-04-26 11:13:38
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View History
2687-94-7
1H-2-Benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone, 9-(1-ethylpropyl)-
40322-20-1
478261-33-5
189209-27-6
methyl (3xi,16Z,20alpha)-16-(methoxymethylidene)-2-oxocorynoxan-17-oate
1H-INDOLE-2-CARBOXYLIC ACID, 3-BROMO-5-METHOXY-, ETHYL ESTER
N-[1-(2-AMino-ethyl)-pyrrolidin-3-yl]-N-cyclopropyl-acetaMide
2,3-Dihydro-1-oxo-1H-pyrrolo[1,2-a]indole-2-carboxylic acid ethyl ester
(1R)-1,2,3,4,4aβ,7,8,8aα-Octahydro-4β-isopropyl-1,6-dimethyl-1α-methoxynaphthalene
1H-2-Benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone, 9-(1-ethylpropyl)-
40322-20-1
478261-33-5
189209-27-6
methyl (3xi,16Z,20alpha)-16-(methoxymethylidene)-2-oxocorynoxan-17-oate
1H-INDOLE-2-CARBOXYLIC ACID, 3-BROMO-5-METHOXY-, ETHYL ESTER
N-[1-(2-AMino-ethyl)-pyrrolidin-3-yl]-N-cyclopropyl-acetaMide
2,3-Dihydro-1-oxo-1H-pyrrolo[1,2-a]indole-2-carboxylic acid ethyl ester
(1R)-1,2,3,4,4aβ,7,8,8aα-Octahydro-4β-isopropyl-1,6-dimethyl-1α-methoxynaphthalene