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12108-13-3

Basic Information
CAS No.: 12108-13-3
Name: METHYLCYCLOPENTADIENYLMANGANESE TRICARBONYL
Molecular Structure:
Molecular Structure of 12108-13-3 (METHYLCYCLOPENTADIENYLMANGANESE TRICARBONYL)
Formula: C9H7MnO3
Molecular Weight: 218.10
Synonyms: NSC22316;Tricarbonyl(2-methylcyclopentadienyl)manganese;Tricarbonyl(methyl-p-cyclopentadienyl)manganese;Tricarbonyl(methylcyclopentadienyl)manganese;p-Methylcyclopentadienylmanganesetricarbonyl;Manganese,tricarbonyl(methyl-p-cyclopentadienyl)- (8CI);Manganese, tricarbonyl(methylcyclopentadienyl)-(7CI);(Methylcyclopentadienyl)tricarbonylmanganese;2-Methylcyclopentadienylmanganesetricarbonyl;Hitec 3000;MMT;Methylcymantrene;
EINECS: 235-166-5
Density: 1.39 g/cm3
Melting Point: 2.2 °C
Boiling Point: 233 °C
Flash Point: 205°F
Solubility: Insoluble in water. Soluble in hydrocarbon solvents, alcohols, ether, acetone
Appearance: orange liquid with a pleasant odor
Hazard Symbols: ToxicT
Risk Codes: 23/24/25-40
Safety: 23-26-36/37/39-45
Transport Information: UN 3281 6.1/PG 2
PSA: 0.00000
LogP: 0.78760
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Chemistry

IUPAC:  Carbon monoxide; manganese; 5-methylcyclopenta-1,3-diene 
 Manganese tricarbonyl methylcyclopentadienyl (12108-13-3)  is also called for  2-Methylcyclopentadienyl manganese tricarbonyl ; MMT ; Methylcyclopentadienyl manganese tricarbonyl ; Ecotane ; (Methylcyclopentadienyl)tricarbonylmanganese ; 2-Methylcyclopentadienylmanganese tricarbonyl ; AI3-61450 ; AK-33X ; Antiknock-33 ; pi-Methylcyclopentadienylmanganese tricarbonyl ; Tricarbonyl(2-methylcyclopentadienyl)manganese ; Tricarbonyl(eta(5)-methylcyclopentadienyl)manganese ; Tricarbonyl(methylcyclopentadienyl)manganese and so on.
Molecular Formula: C9H7MnO3-
Molecular Weight: 218.09
EINECS: 235-166-5
LogP: ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.28 
ACD/LogD (pH 7.4): 2.28 
ACD/BCF (pH 5.5): 31.79 
ACD/BCF (pH 7.4): 31.79 
ACD/KOC (pH 5.5): 413.95 
ACD/KOC (pH 7.4): 413.95 
H bond acceptors: 0 
H bond donors: 0 
Freely Rotating Bonds: 0 
Enthalpy of Vaporization: 30.78 kJ/mol 
Boiling Point: 80.4°C at 760 mmHg 
Vapour Pressure: 94.8 mmHg at 25°C 
Density:  1.38 g/mL at 25 °C(lit.)
The appearance of  Manganese tricarbonyl methylcyclopentadienyl (12108-13-3) is orange liquid with a pleasant odor and slightly soluble in water.
The molecular structure of  Manganese tricarbonyl methylcyclopentadienyl (12108-13-3):

Toxicity Data With Reference

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) 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

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
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) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BLOOD: HEMORRHAGE

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.

Consensus Reports

EPA Extremely Hazardous Substances List. Manganese and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion, inhalation, skin contact, intravenous, and intraperitoneal routes. A skin irritant. When heated to decomposition it emits toxic fumes of CO. See also MANGANESE COMPOUNDS and CARBONYLS.
Hazard Codes:  T Toxic
Risk Statements:  23/24/25-40 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements:  23-26-36/37/39-45 
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.)
RIDADR:  UN 3281 6.1/PG 2
WGK Germany:  3
RTECS:  OP1450000
TSCA:  Yes
HazardClass:  6.1
PackingGroup:  II

Standards and Recommendations

OSHA PEL: TWA 0.2 mg(Mn)/m3 (skin)
ACGIH TLV: TWA 5 mg(Mn)/m3

Specification

1.Handling and Storage
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. 
Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. 
2.Fire Fighting Measures
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Will burn if involved in a fire. 
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.