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Substance Name: Methylpyrrolidone [NF]
RN: 872-50-4
UNII: JR9CE63FPM
InChIKey: SECXISVLQFMRJM-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Noxae
  • Reproductive Effect
  • Skin / Eye Irritant
  • Teratogens
  • TSCA Flag R (Subject to the TSCA Section 6 Risk Management Rule)

Molecular Formula

  • C5-H9-N-O

Molecular Weight

  • 99.1321
 

Names and Synonyms

Name of Substance

  • 1-Methyl-2-pyrrolidinone
  • Methylpyrrolidone [NF]
  • N-methylpyrrolidone

Synonyms

  • 1-Methyl-2-pyrrolidinone
  • 1-Methyl-2-pyrrolidone
  • 1-Methyl-5-pyrrolidinone
  • 1-Methylazacyclopentan-2-one
  • 1-Methylpyrrolidinone
  • 1-Methylpyrrolidone
  • 2-Pyrrolidinone, 1-methyl-
  • AgsolEx 1
  • AI3-23116
  • CCRIS 1633
  • EC 212-828-1
  • EINECS 212-828-1
  • HSDB 5022
  • M 0418
  • M-Pyrol
  • Methylpyrrolidone
  • Microposit 2001
  • N 0131
  • N-Methyl-2-pyrrolidinone
  • N-Methyl-2-pyrrolidone
  • N-Methyl-gamma-butyrolactam
  • N-Methylpyrrolidinone
  • N-Methylpyrrolidone
  • NMP
  • NSC 4594
  • Pharmasolve
  • Pyrol M
  • SL 1332
  • UNII-JR9CE63FPM

Systematic Names

  • 1-Methyl-2-pyrrolidone
  • 2-Pyrrolidinone, 1-methyl-
  • N-Methyl-2-pyrrolidinone

Superlist Names

  • 1-Methyl-2-pyrrolidone
  • 2-Pyrrolidinone, 1-methyl-
  • Methylpyrrolidone, N-
  • N-Methyl-2-pyrrolidinone
  • N-Methyl-2-pyrrolidone
  • N-Methylpyrrolidone

Registry Numbers

CAS Registry Number

  • 872-50-4

FDA UNII

  • JR9CE63FPM

Other Registry Numbers

  • 26138-58-9
  • 53774-35-9
  • 57762-46-6

System Generated Number

  • 0000872504

Structure Descriptors

InChI

1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3

InChIKey

SECXISVLQFMRJM-UHFFFAOYSA-N

Smiles

C1(=O)N(CCC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 63300ug/kg (63.3mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 922, 1987.
mouse LD50 intraperitoneal 3050mg/kg (3050mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1087-0695,
mouse LD50 intravenous 54500ug/kg (54.5mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 922, 1987.
mouse LD50 oral 5130mg/kg (5130mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1087-0695,
rabbit LD50 skin 8gm/kg (8000mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 84, 1974.
rat LCLo inhalation 1gm/m3 (1000mg/m3)   National Technical Information Service. Vol. OTS0534725,
rat LD50 intraperitoneal 2472mg/kg (2472mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1581, 1976.
rat LD50 intravenous 80500ug/kg (80.5mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 18, Pg. 922, 1987.
rat LD50 oral 3914mg/kg (3914mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1581, 1976.
rat LD50 subcutaneous > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4882359,
rat LD50 unreported 7gm/kg (7000mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 408, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.40E+01 deg C   EXP
Boiling Point 202 deg C   EXP
log P (octanol-water) -0.38 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 0.345 mm Hg 25 EXP
Henry's Law Constant 3.20E-09 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.40E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.