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ChemicalBook--->CAS DataBase List--->2687-94-7

2687-94-7

2687-94-7 Structure

2687-94-7 Structure
IdentificationMore
[Name]

N-Octyl pyrrolidone
[CAS]

2687-94-7
[Synonyms]

1-N-OCTYL-2-PYRROLIDONE
1-OCTYL-2-PYRROLIDINONE
1-OCTYL-2-PYRROLIDONE
1-OCTYLPYRROLIDIN-2-ONE
N-OCTYL-2-PYRROLIDONE
N-OCTYL PYRROLIDONE
1-octyl-2-pyrrolidinon
2-Pyrrolidinone,1-octyl-
n-octylpyrrolidinone
1-Octyl-2-pyrsiiolidinone
N-(n-octyl)-pyrrolidin-2-on
[EINECS(EC#)]

403-700-8
[Molecular Formula]

C12H23NO
[MDL Number]

MFCD00074965
[Molecular Weight]

197.32
[MOL File]

2687-94-7.mol
Chemical PropertiesBack Directory
[Melting point ]

−25 °C(lit.)
[Boiling point ]

170-172 °C15 mm Hg(lit.)
[density ]

0.92 g/mL at 25 °C(lit.)
[vapor pressure ]

0.03-0.08Pa at 20℃
[refractive index ]

n20/D 1.465(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[pka]

-0.42±0.20(Predicted)
[color ]

Colorless to Yellow
[Specific Gravity]

0.92
[Water Solubility ]

1.14-1.25g/L at 20℃
[BRN ]

1526318
[InChIKey]

WPPOGHDFAVQKLN-UHFFFAOYSA-N
[LogP]

4.15 at 20℃
[CAS DataBase Reference]

2687-94-7(CAS DataBase Reference)
[EPA Substance Registry System]

2687-94-7(EPA Substance)
Questions And AnswerBack Directory
[Synthesis]

N-Octyl pyrrolidone was synthesized by 2-pyrrolidone and tetrabutylammonium bromide stirred with adding n-octane chloride for 10 h at 90 °C.
Safety DataBack Directory
[Hazard Codes ]

C,N
[Risk Statements ]

R34:Causes burns.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
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 label where possible) .
S1/2:Keep locked up and out of the reach of children .
[RIDADR ]

UN 3267 8/PG 2
[WGK Germany ]

2
[RTECS ]

UY5896000
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29339900
[Toxicity]

LD50 orl-rat: 2050 mg/kg FCTOD7 26,475,88
Hazard InformationBack Directory
[Chemical Properties]

Colorless or slightly yellow clear liquid
[Uses]

N-Octyl pyrrolidone(NOP) is a highly efficient and selective solvent, which can be used in the recovery of organic raw materials, the refining of lubricating oils, and the solvent for polymers and polymerization reactions; It is also widely used in chemical synthesis reactions.
[Definition]

ChEBI:N-Octyl-2-pyrrolidone is a N-alkylpyrrolidine.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 57, p. 3328, 1992 DOI: 10.1021/jo00038a019
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 59, p. 6378, 1994 DOI: 10.1021/jo00100a046
[General Description]

1-Octyl-2-pyrrolidone is a permeation enhancer and its effect in transport of steroidal permeants across hairless mouse skin was investigated via a parallel pathway skin model.
[Flammability and Explosibility]

Nonflammable
[Safety Profile]

Moderately toxic by ingestion. Asevere skin and eye irritant. A corrosive. Combustibleliquid. When heated to decomposition it emits toxic fumesof NOx.
Spectrum DetailBack Directory
[Spectrum Detail]

N-Octyl pyrrolidone(2687-94-7)MS
N-Octyl pyrrolidone(2687-94-7)1HNMR
N-Octyl pyrrolidone(2687-94-7)13CNMR
N-Octyl pyrrolidone(2687-94-7)IR1
N-Octyl pyrrolidone(2687-94-7)IR2
N-Octyl pyrrolidone(2687-94-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2687-94-7(sigmaaldrich)
[TCI AMERICA]

1-n-Octyl-2-pyrrolidone,>98.0%(GC)(2687-94-7)
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