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Substance Name: Mesityl oxide
RN: 141-79-7
UNII: 77LAC84669
InChIKey: SHOJXDKTYKFBRD-UHFFFAOYSA-N

Notes

Note

  • Solvent for extraction of nitrocellulose, many resins, & tellurium.

Superlist Note

  • Chemical remains on MTL because of additional testing actions (see OECD/SIDS listing)

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 

Classification Codes

Classification Codes

  • Human Data
  • Skin / Eye Irritant

Superlist Classification Codes

  • TWA (15 ppm); STEL (25 ppm)
  • TWA 25 ppm (100 mg/m3)

Names and Synonyms

Name of Substance

  • Mesityl oxide

Synonyms

  • 2,2-Dimethylvinyl methyl ketone
  • 2-Methyl-2-pentenone-4
  • 2-Methyl-4-oxo-2-pentene
  • 3-Isohexen-2-one
  • 3-Penten-2-one, 4-methyl-
  • 4-01-00-03471 (Beilstein Handbook Reference)
  • 4-Methyl-3-penten-2-on
  • 4-Methyl-3-penten-2-on [Dutch, German]
  • 4-Methyl-3-penten-2-one
  • 4-Metil-3-penten-2-one
  • 4-Metil-3-penten-2-one [Italian]
  • Acetone, isopropylidene-
  • AI3-07702
  • BRN 1361550
  • Caswell No. 547
  • EC 205-502-5
  • EINECS 205-502-5
  • EPA Pesticide Chemical Code 052401
  • FEMA No. 3368
  • FEMA Number 3368
  • HSDB 1195
  • Isobutenyl methyl ketone
  • Isopropylidene acetone
  • Isopropylideneacetone
  • Mesityl oxide
  • Mesityloxid
  • Mesityloxid [German]
  • Mesityloxyde
  • Mesityloxyde [Dutch]
  • Methyl 2,2-dimethylvinyl ketone
  • Methyl 2-methyl-1-propenyl ketone
  • Methyl isobutenyl ketone
  • MIBK
  • NSC 38717
  • Ossido di mesitile
  • Ossido di mesitile [Italian]
  • Oxyde de mesityle
  • Oxyde de mesityle [French]
  • UNII-77LAC84669

Systematic Names

  • 3-Penten-2-one, 4-methyl-
  • 4-Methylpent-3-en-2-one

Superlist Names

  • 3-Penten-2-one, 4-methyl-
  • 4-Methyl-3-penten-2-one
  • Mesityl oxide
  • Mesityl oxide [UN1229] [Flammable liquid]
  • UN1229

Registry Numbers

CAS Registry Number

  • 141-79-7

FDA UNII

  • 77LAC84669

System Generated Number

  • 0000141797

Structure Descriptors

InChI

1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3

InChIKey

SHOJXDKTYKFBRD-UHFFFAOYSA-N

Smiles

C(=C\C(C)=O)(\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 1400mg/kg (1400mg/kg)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 56, Pg. 346, 1906.
guinea pig LCLo inhalation 500ppm/8H (500ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Industrial Hygiene and Toxicology. Vol. 24, Pg. 46, 1942.
human TCLo inhalation 25ppm (25ppm) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.
mammal (species unspecified) LD50 oral 710mg/kg (710mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LC50 inhalation 10gm/m3/2H (10000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 80, 1982.
mouse LD50 intraperitoneal 354mg/kg (354mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.
mouse LD50 oral 710mg/kg (710mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 80, 1982.
rabbit LD50 oral 1gm/kg (1000mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 896, 1991.
rabbit LD50 skin 5150mg/kg (5150mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 71, 1974.
rabbit LDLo subcutaneous 840mg/kg (840mg/kg)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 56, Pg. 346, 1906.
rat LC50 inhalation 9gm/m3/4H (9000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 80, 1982.
rat LD50 oral 1120mg/kg (1120mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 896, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.90E+01 deg C   EXP
Boiling Point 130 deg C   EXP
log P (octanol-water) 1.370 (none)   EST
Water Solubility 2.89E+04 mg/L 20 EXP
Vapor Pressure 8.21 mm Hg 25 EXP
Henry's Law Constant 3.67E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.86E-11 cm3/molecule-sec 25 EST

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