New Database Available - Released on 11/08/2026.
banner
molecules
Showing 121 to 150 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Putrescine 110-60-1 Monomolecular 1045 KIDHWZJUCRJVML-UHFFFAOYSA-N C(CCN)CN
Cadaverine 462-94-2 Monomolecular 273 VHRGRCVQAFMJIZ-UHFFFAOYSA-N C(CCN)CCN
Gamma-Decalactone 706-14-9 Sum of Isomers 12813 IFYYFLINQYPWGJ-UHFFFAOYSA-N CCCCCCC1CCC(=O)O1
Acetic Acid 64-19-7 Monomolecular 176 QTBSBXVTEAMEQO-UHFFFAOYSA-N CC(=O)O
Butyric Acid 107-92-6 Monomolecular 264 FERIUCNNQQJTOY-UHFFFAOYSA-N CCCC(=O)O
Pentanoic Acid 109-52-4 Monomolecular 7991 NQPDZGIKBAWPEJ-UHFFFAOYSA-N CCCCC(=O)O
Hexanoic Acid 142-62-1 Monomolecular 8892 FUZZWVXGSFPDMH-UHFFFAOYSA-N CCCCCC(=O)O
Heptanoic Acid 111-14-8 Monomolecular 8094 MNWFXJYAOYHMED-UHFFFAOYSA-N CCCCCCC(=O)O
Octanoic Acid 124-07-2 Monomolecular 379 WWZKQHOCKIZLMA-UHFFFAOYSA-N CCCCCCCC(=O)O
Nonanoic Acid 112-05-0 Monomolecular 8158 FBUKVWPVBMHYJY-UHFFFAOYSA-N CCCCCCCCC(=O)O
Isobutyric Acid 79-31-2 Monomolecular 6590 KQNPFQTWMSNSAP-UHFFFAOYSA-N CC(C)C(=O)O
Isovaleric Acid 503-74-2 Monomolecular 10430 GWYFCOCPABKNJV-UHFFFAOYSA-N CC(C)CC(=O)O
Pyruvic Acid 127-17-3 Monomolecular 1060 LCTONWCANYUPML-UHFFFAOYSA-N CC(=O)C(=O)O
Dimethyl Sulfide 75-18-3 Monomolecular 1068 QMMFVYPAHWMCMS-UHFFFAOYSA-N CSC
1-Methyl-4-Prop-1-En-2-Ylcyclohexene 138-86-3 Sum of Isomers 22311 XMGQYMWWDOXHJM-UHFFFAOYSA-N CC1=CCC(CC1)C(=C)C
Furfural 98-01-1 Monomolecular 7362 HYBBIBNJHNGZAN-UHFFFAOYSA-N C1=COC(=C1)C=O
Acetone 67-64-1 Monomolecular 180 CSCPPACGZOOCGX-UHFFFAOYSA-N CC(=O)C
Methyl Ethyl Ketone 78-93-3 Monomolecular 6569 ZWEHNKRNPOVVGH-UHFFFAOYSA-N CCC(=O)C
4-Ethylguaiacol 2785-89-9 Monomolecular 62465 CHWNEIVBYREQRF-UHFFFAOYSA-N CCC1=CC(=C(C=C1)O)OC
Methanol 67-56-1 Monomolecular 887 OKKJLVBELUTLKV-UHFFFAOYSA-N CO
Ethanol 64-17-5 Monomolecular 702 LFQSCWFLJHTTHZ-UHFFFAOYSA-N CCO
Isobutyl Acetate 110-19-0 Monomolecular 8038 GJRQTCIYDGXPES-UHFFFAOYSA-N CC(C)COC(=O)C
Ethyl formate 109-94-4 Monomolecular 8025 WBJINCZRORDGAQ-UHFFFAOYSA-N CCOC=O
Methyl Octanoate 111-11-5 Monomolecular 8091 JGHZJRVDZXSNKQ-UHFFFAOYSA-N CCCCCCCC(=O)OC
Butyl propionate 590-01-2 Monomolecular 11529 BTMVHUNTONAYDX-UHFFFAOYSA-N CCCCOC(=O)CC
Guaiacol 90-05-1 Monomolecular 460 LHGVFZTZFXWLCP-UHFFFAOYSA-N COC1=CC=CC=C1O
4-Ethylphenol 123-07-9 Monomolecular 31242 HXDOZKJGKXYMEW-UHFFFAOYSA-N CCC1=CC=C(C=C1)O
2-Oxovaleric acid 1821-02-9 Monomolecular 74563 KDVFRMMRZOCFLS-UHFFFAOYSA-N CCCC(=O)C(=O)O
Cyclohexanol 108-93-0 Monomolecular 7966 HPXRVTGHNJAIIH-UHFFFAOYSA-N C1CCC(CC1)O
Alpha-Terpinene 99-86-5 Monomolecular 7462 YHQGMYUVUMAZJR-UHFFFAOYSA-N CC1=CC=C(CC1)C(C)C
Filters
Molecule
Name
Mixture
Resources
Reference