New Database Available - Released on 23/03/2024.
banner
molecules
Showing 1 to 30 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
(-)-limonene 5989-54-8 mono 439250 XMGQYMWWDOXHJM-SNVBAGLBSA-N CC1=CC[C@H](CC1)C(=C)C
(+)-carvone 6485-40-1 mono 16724 ULDHMXUKGWMISQ-VIFPVBQESA-N CC1=CC[C@@H](CC1=O)C(=C)C
(+)-menthol 2216-51-5 mono 165675 NOOLISFMXDJSKH-AEJSXWLSSA-N C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C
1,2,3-trimethylbenzene 526-73-8 mono 10686 FYGHSUNMUKGBRK-UHFFFAOYSA-N CC1=C(C(=CC=C1)C)C
1-butanol 71-36-3 mono 263 LRHPLDYGYMQRHN-UHFFFAOYSA-N CCCCO
1-butoxy-2-propanol 5131-66-8 sum of isomers 21210 RWNUSVWFHDHRCJ-UHFFFAOYSA-N CCCCOCC(C)O
1-dodecanol 112-53-8 mono 8193 LQZZUXJYWNFBMV-UHFFFAOYSA-N CCCCCCCCCCCCO
1-octanol 111-87-5 mono 957 KBPLFHHGFOOTCA-UHFFFAOYSA-N CCCCCCCCO
1-propanol 71-23-8 mono 1031 BDERNNFJNOPAEC-UHFFFAOYSA-N CCCO
2,3-heptanedione 96-04-8 mono 60983 FJPGAMCQJNLTJC-UHFFFAOYSA-N CCCCC(=O)C(=O)C
2,5-dimethylpyrazine 123-32-0 mono 31252 LCZUOKDVTBMCMX-UHFFFAOYSA-N CC1=CN=C(C=N1)C
2-methyl-1-butanol 137-32-6 sum of isomers 8723 QPRQEDXDYOZYLA-UHFFFAOYSA-N CCC(C)CO
3-hexanone 589-38-8 mono 11509 PFCHFHIRKBAQGU-UHFFFAOYSA-N CCCC(=O)CC
3-pentanol 584-02-1 mono 11428 AQIXEPGDORPWBJ-UHFFFAOYSA-N CCC(CC)O
alpha-pinene 80-56-8 sum of isomers 6654 GRWFGVWFFZKLTI-UHFFFAOYSA-N CC1=CCC2CC1C2(C)C
2-Ethyl-3-methylpyrazine mono 27457 LNIMMWYNSBZESE-UHFFFAOYSA-N CCC1=NC=CN=C1C
beta-pinene 127-91-3 sum of isomers 14896 WTARULDDTDQWMU-UHFFFAOYSA-N CC1(C2CCC(=C)C1C2)C
acetic acid 64-19-7 mono 176 QTBSBXVTEAMEQO-UHFFFAOYSA-N CC(=O)O
butyric acid 107-92-6 mono 264 FERIUCNNQQJTOY-UHFFFAOYSA-N CCCC(=O)O
coumarin 91-64-5 mono 323 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CC(=O)O2
dodecanoic acid 143-07-7 mono 3893 POULHZVOKOAJMA-UHFFFAOYSA-N CCCCCCCCCCCC(=O)O
ethyl decanoate 110-38-3 mono 8048 RGXWDWUGBIJHDO-UHFFFAOYSA-N CCCCCCCCCC(=O)OCC
ethyl dodecanoate 106-33-2 mono 7800 MMXKVMNBHPAILY-UHFFFAOYSA-N CCCCCCCCCCCC(=O)OCC
ethyl hexadecanoate 628-97-7 mono 12366 XIRNKXNNONJFQO-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)OCC
ethyl octadecanoate 111-61-5 mono 8122 MVLVMROFTAUDAG-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC(=O)OCC
ethyl octanoate 106-32-1 mono 7799 YYZUSRORWSJGET-UHFFFAOYSA-N CCCCCCCC(=O)OCC
ethyl tetradecanoate 124-06-1 mono 31283 MMKRHZKQPFCLLS-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)OCC
eugenol 97-53-0 mono 3314 RRAFCDWBNXTKKO-UHFFFAOYSA-N COC1=C(C=CC(=C1)CC=C)O
farnesol 4602-84-0 mono 445070 CRDAMVZIKSXKFV-YFVJMOTDSA-N CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C
geraniol 106-24-1 mono 637566 GLZPCOQZEFWAFX-JXMROGBWSA-N CC(=CCC/C(=C/CO)/C)C