Butanone
Butanone occurs as a natural product. It is made by some trees and found in some fruits and vegetables in small amounts. It is also released to the air from car and truck exhausts. The known health effects to people from exposure to butanone are irritation of the nose, throat, skin, and eyes. (wikipedia).
Structure for HMDB00474 (Butanone)
C4H8O
72.1057
72.057514878
butan-2-one
methyl(ethyl) ketone
78-93-3
ZWEHNKRNPOVVGH-UHFFFAOYSA-N
This compound belongs to the class of chemical entities known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
Chemical entities
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Ketones
Aliphatic acyclic compounds
Detected and Quantified
Not Available
Not Available
Liquid
LC-MS/MS Spectrum – Quattro_QQQ 10V, Positive (Annotated)splash10-05fr-9000000000-ce6384a82cdbc3c32131View in MoNA
LC-MS/MS Spectrum – Quattro_QQQ 25V, Positive (Annotated)splash10-05fr-9000000000-d2220466d540748715a6View in MoNA
LC-MS/MS Spectrum – Quattro_QQQ 40V, Positive (Annotated)splash10-00di-9000000000-5c396f6150d62df63bf8View in MoNA
LC-MS/MS Spectrum – EI-B (HITACHI RMU-7M) , Positivesplash10-0006-9000000000-342b15824555f25c17aeView in MoNA
LC-MS/MS Spectrum – EI-B (HITACHI M-80B) , Positivesplash10-0006-9000000000-9d38ccb9b91100a7ec9aView in MoNA
LC-MS/MS Spectrum – EI-B (HITACHI M-80) , Positivesplash10-0006-9000000000-c956d364a703ad576f74View in MoNA
Predicted LC-MS/MS Spectrum – 10V, Positivesplash10-05fr-9000000000-df1c4f4393ad8e083ceeView in MoNA
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-0ab9-9000000000-5db9dc68e554d23fe4caView in MoNA
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-0a4i-9000000000-e76aaa16e1218b6b92e0View in MoNA
Predicted LC-MS/MS Spectrum – 10V, Positivesplash10-05fr-9000000000-df1c4f4393ad8e083ceeView in MoNA
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-0ab9-9000000000-5db9dc68e554d23fe4caView in MoNA
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-0a4i-9000000000-e76aaa16e1218b6b92e0View in MoNA
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-00di-9000000000-75ee4bf0cca979df2feeView in MoNA
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-00di-9000000000-a0882d603db69a60cd2bView in MoNA
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-0pb9-9000000000-2b71687b4480da0a40a8View in MoNA
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-00di-9000000000-75ee4bf0cca979df2feeView in MoNA
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-00di-9000000000-a0882d603db69a60cd2bView in MoNA
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-0pb9-9000000000-2b71687b4480da0a40a8View in MoNA
Mass Spectrum (Electron Ionization)splash10-0006-9000000000-389580382a5be690811fView in MoNA
1H NMR SpectrumNot Available
1H NMR SpectrumNot Available
13C NMR SpectrumNot Available
[1H,13C] 2D NMR SpectrumNot Available
Not Available
Normal
Normal
Normal
Normal
Normal
Normal
Normal
Campylobacter jejuni infection
Clostridium difficile infection
Ulcerative Colitis
Nonalcoholic fatty liver disease (NAFLD)
Treated celiac disease
- Jones AW, Lund M, Andersson E: Drinking drivers in Sweden who consume denatured alcohol preparations: an analytical-toxicological study. J Anal Toxicol. 1989 Jli-Aug;13(4):199-203. [PubMed:2779169 ]
None
Not Available
Not Available
Not Available
Not Available
FDB003383
Not Available
6321
C02845
DIHYDROXY-BUTANONE-P
Not Available
Butanone
HMDB00474
HMDB00474
5461
6569
Not Available
28398
- Weddle DL, Tithoff P, Williams M, Schuller HM: Beta-adrenergic growth regulation of human cancer cell lines derived from pancreatic ductal carcinomas. Carcinogenesis. 2001 Mar;22(3):473-9. [PubMed:11238189 ]
- Goldsmith LB, Friberg SE, Wahlberg JE: The effect of solvent extraction on the lipids of the stratum corneum in relation to observed immediate whitening of the skin. Contact Dermatitis. 1988 Nov;19(5):348-50. [PubMed:3233954 ]
- Carmella SG, Akerkar S, Hecht SS: Metabolites of the tobacco-specific nitrosamine 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in smokers urine. Cancer Res. 1993 Feb 15;53(4):721-4. [PubMed:8428352 ]
- Stich HF, Parida BB, Brunnemann KD: Localized formation of micronuclei in the oral mucosa and tobacco-specific nitrosamines in the saliva of “reverse” smokers, Khaini-tobacco chewers and gudakhu users. Int J Cancer. 1992 Jan 21;50(2):172-6. [PubMed:1730509 ]
- Nair J, Ohshima H, Friesen M, Croisy A, Bhide SV, Bartsch H: Tobacco-specific and betel nut-specific N-nitroso compounds: occurrence in saliva and urine of betel quid chewers and formation in vitro by nitrosation of betel quid. Carcinogenesis. 1985 Feb;6(2):295-303. [PubMed:3971493 ]
- Prokopczyk B, Cox JE, Hoffmann D, Waggoner SE: Identification of tobacco-specific carcinogen in the cervical mucus of smokers and nonsmokers. J Natl Cancer Inst. 1997 Jun 18;89(12):868-73. [PubMed:9196253 ]
- Hecht SS, Carmella SG, Ye M, Le KA, Jensen JA, Zimmerman CL, Hatsukami DK: Quantitation of metabolites of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone after cessation of smokeless tobacco use. Cancer Res. 2002 Jan 1;62(1):129-34. [PubMed:11782369 ]