Database of Volatile Organic Compounds Biomarkers for the Diagnosis of Pathological Conditions

Pedro Catalão Moura – Maria Raposo – Valentina Vassilenko

Database: 327 Biomarkers

Page 1 of 3

Volatile
Organic
Compounds		CAS
Number		AsthmaBreast
Cancer		Chronic
Kidney
Disease		Chronic
Liver
Disease		Chronic
Obstructive
Pulmonary
Disease		Colorectal
Cancer		Covid-19Cystic
Fibrosis		DiabetesGastric
Cancer		Lung
Cancer		MalariaProstate
Cancer		Sleep
Apnoea		Squamous
Cell
Cancer		Tuberculosis
A
Acetaldehyde75-07-0LinkLinkLinkLink
Link		Link
Acetic Acid64-19-7LinkLinkLink
Aceticamide60-35-5Link
Acetone67-64-1LinkLink
Link
Link
Link		Link
Link
Link		LinkLink
Link		LinkLink
Link
Link
Link
Link		Link
Link		Link
Link
Link
Link		LinkLink
Acetophenone98-86-2LinkLinkLink
Acetyl acetate108-24-4Link
2-Acetylpyridine1122-62-9Link
Allylmethylsulphide10152-76-8Link
Ammonia7664-41-7Link
Link
Link		Link
Ammonium acetate631-61-8Link
Aniline62-53-3Link
(+)-Aromadendrene489-39-4Link
B
Benzaldehyde100-52-7LinkLinkLink
Link		Link
Benzene71-43-2LinkLink
Link		Link
Benzoic acid65-85-0Link
Benzonitrile100-47-0Link
Benzothiazole95-16-9Link
Bicyclo[4.1.0]hepta-1,3,5-triene4646-69-9Link
Biphenyl92-52-4Link
2,5-Bis-1,1-dimethylethylphenol5875-45-6Link
Bis-(3,5,5-trimethylhexyl) phthalate14103-61-8Link
Butanal123-72-8LinkLink
Link
Link
Butane106-97-8LinkLink
1,4-Butanediol110-63-4Link
2,3-Butanediol513-85-9Link
2,3-Butanedione431-03-8Link
Link		Link
Butanoic acid107-92-6Link
Butanol71-36-3Link
2-Butanone78-93-3LinkLink
Link		LinkLinkLink
Link		Link
Link
Link
Link
Link		Link
2-Butenol504-61-0Link
4-Butoxybutanol4161-24-4Link
2-Butoxyethanol111-76-2Link
Link
Butyl Acetate123-86-4Link
Butylatedhydroxytoluene128-37-0LinkLink
2-Butyloctanol3913-02-8LinkLinkLink
6-t-Butyl-2,2,9,9-tetramethyl-3,5-decadien-7-yne—Link
Butyric Acid107-92-6LinkLink
C
Camphene79-92-5Link
Carbon disulphide75-15-0Link
Link
3-Carene13466-78-9Link
Link
Caryophyllene87-44-5LinkLink
[E]-Cinnamaldehyde14371-10-9Link
2-Chloroethylester-carbonochloridic acid627-11-2Link
Chloroform67-66-3Link
3-Chloropropanoylchloride625-36-5Link
Cyclohexane110-82-7Link
Link		Link
Link
Cyclohexanol108-93-0Link
Link
Cyclohexanone108-94-1LinkLink
Link		Link
Link		Link
Cyclooctylmethanol3637-63-6Link
Cyclopentane287-92-3Link
Cyclopentanone120-92-3Link
o-Cymene527-84-4Link
Cymol99-87-6Link
D
Decanal112-31-2Link
Link		Link
Decane124-18-5LinkLinkLinkLink
1,2-Decanediol1119-86-4Link
Decene872-05-9LinkLink
E-3-Decen-2-ol18402-84-1Link
1,4-Dichlorobenzene106-46-7LinkLink
Dichloronitromethane7119-89-3LinkLink
Dihydro-2(3H)-furanone96-48-0Link
2,4-Dimethylbenzaldehyde15764-16-6Link
Link
1,3-Dimethylbenzene108-38-3LinkLink
Link
1,4-Dimethylbenzene106-42-3Link
Link
2,2-Dimethylbutane75-83-2LinkLink
2,3-Dimethylbutane79-29-8Link
Dimethyl Carbonate616-38-6Link
1,4-Dimethylcyclohexane589-90-2Link
2,2-Dimethyldecane17302-37-3LinkLinkLink
3,6-Dimethyldecane17312-53-7LinkLink
3,7-Dimethyldecane17312-54-8LinkLink
Dimethyl disulphide624-92-0Link
4,6-Dimethyl-dodecane61141-72-8Link
2,4-Dimethylheptane2213-23-2LinkLinkLinkLink
2,6-Dimethylheptane1072-05-5Link
2,3-Dimethylhexane584-94-1Link
3,3-Dimethylhexane563-16-6Link
1,7-Dimethylnaphtalene575-37-1Link
4,5-Dimethylnonane17302-23-7Link
2,6-Dimethyloctane2051-30-1Link
2,3-Dimethylpentane565-59-3Link
2,4-Dimethylpentane108-08-7LinkLink
2,2-Dimethylpropanoic acid75-98-9Link
Dimethyl Selenide593-79-3Link
2,6-Dimethylstyrene2039-90-9Link
Dimethyl sulphide75-18-3Link
Link		Link
Link
Link		LinkLinkLink
3,7-Dimethylundecane17301-29-0Link
4,7-Dimethylundecane17301-32-5Link
6,10-Dimethyl-5,9-undecadien-2-one689-67-8LinkLink
1,4-Dioxane123-91-1Link
1,3-Dioxolan-2-one96-49-1Link
1,3-Di-ter-butylbenzene1014-60-4Link
2,5-Ditert-butylcyclohexa-2,5-diene-1,4-dione2460-77-7Link
2,6-Ditert-butylcyclohexa-2,5-diene-1,4-dione719-22-2Link
Δ-Dodecalactone713-95-1Link
Dodecane112-40-3LinkLinkLink
Link		LinkLink
Dodecanoic acid143-07-7Link
2-Dodecanone6175-49-1Link
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