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51013-18-4

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Basic Information
CAS No.: 51013-18-4
Name: METHYL PYRROLIDONE
Molecular Structure:
Molecular Structure of 51013-18-4 (METHYL PYRROLIDONE)
Formula: C5H9 N O
Molecular Weight: 99.15
Synonyms: Methylpyrrolidone
Density: 1.029g/cm3
Boiling Point: 202°Cat760mmHg
Flash Point: 86.1°C
Safety: Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx.
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  • 2-Pyrrolidinone,methyl-

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    2-Pyrrolidinone,methyl-

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Chemistry

The Molecular Structure of  Methyl-2-pyrrolidinone (CAS NO.51013-18-4):

Molecular Formula: C5H9NO
Molecular Weight: 99.131060 g/mol
IUPAC: 1-methylpyrrolidin-2-one
Density: 1.029 g/cm3
Flash Point: 86.1 °C
Enthalpy of Vaporization: 43.82 kJ/mol
Boiling Point: 202 °C at 760 mmHg
Vapour Pressure: 0.299 mmHg at 25°C
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -0.4
ACD/LogD (pH 7.4): -0.4
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 14.47
ACD/KOC (pH 7.4): 14.47 
Polar Surface Area: 20.31Å2
Index of Refraction: 1.469
Molar Refractivity: 26.85 cm3
Molar Volume: 96.2 cm3
Surface Tension: 33.7 dyne/cm 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 4400mg/kg (4400mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(6), Pg. 84, 1970.
mouse LD50 intraperitoneal 2310mg/kg (2310mg/kg)   Yokohama Igaku. Yokohama Medicine. Vol. 31, Pg. 327, 1980.
mouse LDLo oral 3gm/kg (3000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: OTHER CHANGES

BLOOD: CHANGES IN SPLEEN
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 7, Pg. 27, 1965.
rabbit LD50 oral 3500mg/kg (3500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 35(6), Pg. 84, 1970.
rat LDLo oral 3gm/kg (3000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LIVER: FATTY LIVER DEGERATION

BLOOD: CHANGES IN SPLEEN
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 7, Pg. 27, 1965.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx.

Specification

 Methyl-2-pyrrolidinone (CAS NO.51013-18-4) can be also called as Methylpyrrolidone ; 2-Pyrrolidinone, methyl- .