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

Pedro Catalão Moura – Maria Raposo – Valentina Vassilenko

Database: 327 Biomarkers

Page 3 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
N
Naphthalene91-20-3Link
6-Nitro-2-picoline18368-61-1Link
Nonadecane629-92-5Link
4,6,9-Nonadecatriene874302-34-8Link
Nonanal124-19-6LinkLinkLinkLink
Link
Link		LinkLink
Link
Link		Link
Link
Nonane111-84-2LinkLink
Link		Link
Nonanoic Acid112-05-0Link
Nonanol28473-21-4Link
2-Nonanone821-55-6LinkLink
(E)-2-Nonene6434-78-2Link
O
Octadecane593-45-3Link
Octadecyne629-89-0Link
Octamethylcyclotetrasiloxane556-67-2Link
Octanal124-13-0Link
Link		Link
Link
Link
Link
Octane111-65-9LinkLinkLinkLink
Octanoic acid124-07-2Link
3-Octanone106-68-3Link
2-Octenal2363-89-5Link
Octene111-66-0LinkLink
2-Octene13389-42-9Link
3-Octene14919-01-8Link
P
Pentadecane629-62-9Link
1,2-Pentadiene591-95-7Link
Link
1,4-Pentadiene591-93-5LinkLink
2,2,4,6,6-Pentamethylheptane13475-82-6Link
Pentanal110-62-3Link
Link		Link
Link
Link		Link
Pentane109-66-0LinkLink
Pentanoic acid109-52-4LinkLink
Pentanol71-41-0Link
3-Pentanol584-02-1Link
2-Pentanone107-87-9LinkLink
Link
Link		Link
Link		Link
Link
Link		Link
3-Pentanone96-22-0Link
2-Pentylfuran3777-69-3Link
Phenyl acetate122-79-2Link
Link
Phenylacetic acid103-82-2Link
Phenylbutene935-00-2Link
2-Phenyl-2-propanol617-94-7Link
4-(1-Phenyl-2-propenyloxy)-benzaldehyde447428-96-8Link
Phenol108-95-2LinkLinkLinkLinkLinkLink
α-Pinene80-56-8LinkLinkLinkLink
Link
β-Pinene127-91-3LinkLinkLink
Pivalic acid75-98-9Link
Propanal123-38-6LinkLinkLinkLinkLink
Link
Link
Propane74-98-6Link
Link
1,2-Propanediol57-55-6Link
1,3-Propanediol504-63-2Link
Propanoic Acid79-09-4Link
Propanol71-23-8LinkLinkLink
Link		Link
Link
Link
Link
Link
Link
2-Propenal107-02-8Link
Link
Propene115-07-1Link
Link
2-Propenenitrile107-13-1Link
Link		Link
2-Propenoic acid79-10-7Link
Propylcyclohexane1678-92-8Link
Propyl proprionate106-36-5Link
1H-Pyrazole-4-carbonitrile31108-57-3Link
2-Pyridinecarbonitrile100-70-9Link
1H-Pyrrole-3-carbonitrile7126-38-7Link
Pyrrolidine123-75-1Link
S
Silicon tetrafluoride7783-61-1Link
Styrene100-42-5Link
Link		Link
Link		Link
Link
Link
T
α-Terpinene99-86-5Link
γ-Terpinene99-85-4Link
Terpineol8006-39-1Link
Tetrachloroethene127-18-4Link
Tetradecane629-59-4LinkLinkLinkLinkLink
Link		LinkLink
9-Tetradecenol52957-16-1Link
1,2,3,5-Tetramethylbenzene527-53-7Link
1,2,4,5-Tetramethylbenzene95-93-2Link
Tetramethylsilicane75-76-3Link
1,1,3,3-Tetramethylurea632-22-4Link
Tolualdehyde1334-78-7Link
Toluene108-88-3LinkLink
Trans-2-dodecenol69064-37-5Link
4H-1,2,4-Triazol-4-amine584-13-4Link
Trichlorethylene79-01-6Link
Trichloromethane67-66-3Link
Tridecane629-50-5LinkLink
Link		LinkLinkLink
Link
Trifluoroacetic acid76-05-1Link
Triglyceride32765-69-8Link
Trimethylamine75-50-3Link
Link		LinkLink
1,2,3-Trimethylbenzene526-73-8Link
Link		Link
1,2,4-Trimethylbenzene95-63-6LinkLink
1,3,5-Trimethylbenzene108-67-8LinkLinkLinkLink
Link
Trimethyldecane98060-54-9Link
2,4,6-Trimethyldecane62108-27-4Link
2,6,10-Trimethyldodecane3891-98-3Link
2,6,11-Trimethyldodecane31295-56-4LinkLink
2,7,10-Trimethyldodecane74645-98-0Link
2,2,4-Trimethylheptane14720-74-2Link
2,2,3-Trimethylhexane16747-25-4LinkLink
2,3,5-Trimethylhexane1069-53-0LinkLink
4,6,8-Trimethylnonene54410-98-9Link
2,2,6-Trimethyloctane62016-28-8Link
2,6,6-Trimethyloctane54166-32-4Link
2,3,6-Trimethyloctane62016-33-5Link
2,4,4-Trimethylpentene107-39-1Link
1,3,5-Tri-tert-butylbenzene1460-02-2Link
Tolualdehyde1334-78-7Link
Toluene108-88-3Link
Link		Link
Link		LinkLinkLink
U
2-Undecanal53448-07-0Link
Undecane1120-21-4LinkLinkLinkLink
Link
V
Vinylpyrazine4177-16-6Link
X
m-Xylene108-38-3Link
o-Xylene95-47-6Link
Link		Link
p-Xylene106-42-3LinkLink
Link		LinkLinkLink
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