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Substance Name: Methylcymantrene
RN: 12108-13-3
UNII: 1E52JN2L3I
InChIKey: OCPVYLBGSKCQII-UHFFFAOYSA-N

Note

  • Gasoline antiknock additive.

Molecular Formula

  • C9-H7-Mn-O3

Molecular Weight

  • 217.0814
 

Classification Codes

Classification Codes

  • Organometallic
  • Skin / Eye Irritant

Superlist Classification Codes

  • Threshold Planning Quantity (TPQ) = 100 lb
  • TWA 0.2 mg/m3; skin
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Names and Synonyms

Results Name

  • Methylcymantrene

Name of Substance

  • 2-Methylcyclopentadienyl manganese tricarbonyl
  • Methylcyclopentadienyl manganese tricarbonyl
  • MMT

Synonyms

  • (Methylcyclopentadienyl)tricarbonylmanganese
  • 2-Methylcyclopentadienylmanganese tricarbonyl
  • AI3-61450
  • AK-33X
  • Antiknock-33
  • CI-2
  • Combustion improver -2
  • EC 235-166-5
  • EINECS 235-166-5
  • HSDB 2014
  • Manganese, (methylcyclopentadienyl)tricarbonyl-
  • Manganese, tricarbonyl methylcyclopentadienyl
  • Manganese, tricarbonyl(2-methylcyclopentadienyl)-
  • Methylcyclopentadienyl manganese tricarbonyl
  • Methylcyklopentadientrikarbonylmanganium
  • Methylcyklopentadientrikarbonylmanganium [Czech]
  • Methylcymantrene
  • MMT
  • NSC 22316
  • pi-(Methylcyclopentadienyl)manganese tricarbonyl
  • Pi-methylcyclopentadienylmanganese tricarbonyl
  • Tricarbonyl(2-methylcyclopentadienyl)manganese
  • Tricarbonyl(eta(5)-methylcyclopentadienyl)manganese
  • Tricarbonyl(methylcyclopentadienyl)manganese
  • UNII-1E52JN2L3I

Systematic Names

  • Manganese, tricarbonyl methylcyclopentadienyl
  • Manganese, tricarbonyl((1,2,3,4,5-eta)-1-methyl-2,4-cyclopentadien-1-yl)-
  • Manganese, tricarbonyl(methyl-2,4-cyclopentadienyl)-
  • Manganese, tricarbonyl(methyl-pi-cyclopentadienyl)- (8CI)
  • Tricarbonyl(methylcyclopentadienyl)manganese

Superlist Names

  • 2-Methylcyclopentadienyl manganese tricarbonyl
  • Manganese, tricarbonyl methylcyclopentadienyl
  • Manganese, tricarbonyl((1,2,3,4,5-eta)-1-methyl-2,4-cyclopentadien-1-yl)-
  • Manganese, tricarbonyl(methyl-pi-cyclopentadienyl)-
  • Manganese, tricarbonylmethylcyclopentadienyl
  • Methyl cyclopentadienyl manganese tricarbonyl
  • Methylcyclopentadienyl manganese tricarbonyl

Mixture Name

  • Ecotane

Registry Numbers

CAS Registry Number

  • 12108-13-3

FDA UNII

  • 1E52JN2L3I

Other Registry Number

  • 41536-42-9

System Generated Number

  • 0012108133

Structure Descriptors

InChI

1S/C6H3.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h1H3;;;;/q-1;;;;+1

InChIKey

OCPVYLBGSKCQII-UHFFFAOYSA-N

Smiles

[C-]1(C=CC=C1)C.[O+]#[C-].[O+]#[C-].[O+]#[C-].[Mn+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 223mg/m3/7H (223mg/m3)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.
dog LCLo inhalation 489mg/m3/2H (489mg/m3)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.
dog LDLo intravenous 10mg/kg (10mg/kg)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.
dog LDLo oral 620mg/kg (620mg/kg)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.
guinea pig LCLo inhalation 411mg/m3/7H (411mg/m3)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.
guinea pig LD50 oral 905mg/kg (905mg/kg)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.
mouse LC50 inhalation 58600ug/m3/4H (58.6mg/m3)   Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 20, Pg. 553, 1978.
mouse LD50 intraperitoneal 152mg/kg (152mg/kg)   Shikoku Igaku Zasshi. Shikoku Medical Journal. Vol. 34, Pg. 183, 1978.
mouse LD50 intraperitoneal 152mg/kg (152mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Shikoku Igaku Zasshi. Shikoku Medical Journal. Vol. 34, Pg. 183, 1978.
mouse LD50 oral 34mg/kg (34mg/kg)   Nichidai Igaku Zasshi. Nihon University Medical Journal. Vol. 44, Pg. 173, 1985.
rabbit LCLo inhalation 411mg/m3/7H (411mg/m3)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.
rabbit LD50 intravenous 6600ug/kg (6.6mg/kg)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.
rabbit LD50 oral 95mg/kg (95mg/kg)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.
rabbit LD50 skin 140mg/kg (140mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: EXCITEMENT
American Industrial Hygiene Association Journal. Vol. 40, Pg. 164, 1979.
rat LC50 inhalation 76mg/m3/4H (76mg/m3) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
American Industrial Hygiene Association Journal. Vol. 40, Pg. 164, 1979.
rat LD50 intraperitoneal 12mg/kg (12mg/kg) BLOOD: HEMORRHAGE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Toxicology Letters. Vol. 39, Pg. 1, 1987.
rat LD50 oral 8mg/kg (8mg/kg)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.
rat LD50 skin 665mg/kg (665mg/kg)   "The Toxicology of Methylcyclopentadienyl Manganese Tricarbonyl," Witherup, S., et al., Cincinnati, OH, Univ. of Cincinnati, 1976Vol. -, Pg. -, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 1.5 deg C   EXP
Boiling Point 233 deg C   EXP
log P (octanol-water) 3.7 (none)   EXP
Water Solubility 29 mg/L 25 EXP
Vapor Pressure 0.047 mm Hg 20 EXP
Henry's Law Constant 4.65E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-10 cm3/molecule-sec 23 EXP

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