Methyl isobutyl ketone (BioCAD00000014007)

feces saliva urine plant natural products microbial natural products

Metabolite Card

Formula: C6H12O (100.0888)
SMILES: CC(C)CC(C)=O

Synonyms [en]

methyl isobutyl ketone; 4-Methylpentan-2-one; 4-methyl-2-pentanone; isobutyl methyl ketone; Methylisobutylketon; Shell mibk

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Methyl isobutyl ketone. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000014007). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

Methyl isobutyl ketone (MIBK) is an organic solvent. MIBK is among the top ten most popular organic solvents used in industry. MIBK is occasionally found as a volatile component of urine. MIBK in urine is considered as a biological marker of occupational exposure to this solvent. Olfactory perception is significant but adaptation may occur. The typical toxicity effects of MIBK in humans exposed at 50 to 100 ppm are mucous membrane irritation and weak effects on the central nervous system (CNS) such as headache. Visual dysfunction has been reported in workers exposed to a mixture of organic solvents containing MIBK. Memory impairment was detected in clinical observation on a 44-year-old man who had been exposed to MIBK at 100 ppm for more than 10 years. Regarding to the route of absorption, skin penetration of MIBK is substantial. (PMID: 12592578, 17485256, 16464817, 5556886).

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 108-10-1
  • PubChem: 7909
  • ChEBI: ChEBI:142806
  • ChEBI: ChEBI:82344
  • HMDB: HMDB0002939
  • HMDB: HMDB02939
  • LipidMaps: LMFA12000033
  • KEGG: C19263
  • NCBI MeSH: methyl isobutyl ketone
  • Wikipedia: Methyl isobutyl ketone
  • Wikipedia: Methyl_isobutyl_ketone
  • RefMet: RM0149895
  • MoNA: HMDB0002939_c_ms_99787
  • MoNA: HMDB0002939_c_ms_99788
  • MoNA: HMDB0002939_c_ms_99789
  • MoNA: HMDB0002939_c_ms_99790
  • MoNA: HMDB0002939_ms_ms_2173
  • MoNA: HMDB0002939_ms_ms_2174
  • MoNA: HMDB0002939_ms_ms_2175
  • MoNA: JP000260
  • MoNA: JP001802
  • MoNA: JP004924
  • MoNA: JP006449
  • Metlin: METLIN_58138
  • Coconut NaturalProduct: CNP0178924.0

Class / Ontology

Metabolic Network
ID EC Number Name
Rhea:RHEA:77488 4-methylpentan-2-one + hydrogen cyanide => (2S)-2-hydroxy-2,4-dimethylpentanenitrile
Rhea:RHEA:77489 (2S)-2-hydroxy-2,4-dimethylpentanenitrile => 4-methylpentan-2-one + hydrogen cyanide
Rhea:RHEA:77490 4-methylpentan-2-one + hydrogen cyanide <=> (2S)-2-hydroxy-2,4-dimethylpentanenitrile
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