New Database Available - Released on 02/10/2026.
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molecules
Showing 541 to 570 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Formic acid 64-18-6 Monomolecular 284 BDAGIHXWWSANSR-UHFFFAOYSA-N C(=O)O
Ethyl caprate 110-38-3 Monomolecular 8048 RGXWDWUGBIJHDO-UHFFFAOYSA-N CCCCCCCCCC(=O)OCC
1-Propanol 71-23-8 Monomolecular 1031 BDERNNFJNOPAEC-UHFFFAOYSA-N CCCO
Acrolein 107-02-8 Monomolecular 7847 HGINCPLSRVDWNT-UHFFFAOYSA-N C=CC=O
Ethyl octanoate 106-32-1 Monomolecular 7799 YYZUSRORWSJGET-UHFFFAOYSA-N CCCCCCCC(=O)OCC
Ipsdienol 35628-00-3 Monomolecular 92301 NHMKYUHMPXBMFI-SNVBAGLBSA-N CC(=C[C@H](CC(=C)C=C)O)C
4-Terpineol, (-)- 20126-76-5 Monomolecular 5325830 WRYLYDPHFGVWKC-JTQLQIEISA-N CC1=CC[C@](CC1)(C(C)C)O
Grandisol 26532-22-9 Monomolecular 169202 SJKPJXGGNKMRPD-VHSXEESVSA-N CC(=C)[C@@H]1CC[C@]1(C)CCO
(E)-Tetradec-12-enyl acetate 35153-21-0 Monomolecular 5365773 CRJBZFQLVNBSHX-ONEGZZNKSA-N C/C=C/CCCCCCCCCCCOC(=O)C
Z-12-tetradecenyl acetate N.A. Monomolecular 341307177 N.A. N.A.
Butyl ether 142-96-1 Monomolecular 8909 DURPTKYDGMDSBL-UHFFFAOYSA-N CCCCOCCCC
Furfuryl Alcohol 98-00-0 Monomolecular 7361 XPFVYQJUAUNWIW-UHFFFAOYSA-N C1=COC(=C1)CO
1-Undecanol 112-42-5 Monomolecular 8184 KJIOQYGWTQBHNH-UHFFFAOYSA-N CCCCCCCCCCCO
(E)-4-Hexen-1-ol 928-92-7 Monomolecular 641248 VTIODUHBZHNXFP-NSCUHMNNSA-N C/C=C/CCCO
5-Hexen-1-ol 821-41-0 Monomolecular 69963 UIZVMOZAXAMASY-UHFFFAOYSA-N C=CCCCCO
2-Carene, (+)- 4497-92-1 Monomolecular 78249 IBVJWOMJGCHRRW-BDAKNGLRSA-N CC1=C[C@H]2[C@H](C2(C)C)CC1
1-Dodecene 112-41-4 Monomolecular 8183 CRSBERNSMYQZNG-UHFFFAOYSA-N CCCCCCCCCCC=C
Farnesene, beta-Farnesene 502-61-4, 18794-84-8 Mixture 5281516 and 5281517 CXENHBSYCFFKJS-VDQVFBMKSA-N, JSNRRGGBADWTMC-NTCAYC ... CC(=CCC/C(=C/C/C=C(\C)/C=C)/C)C, CC(=CCC ...
beta-Guaiene 88-84-6 Monomolecular 15560252 GIBQERSGRNPMEH-RYUDHWBXSA-N C[C@H]1CCC(=C(C)C)CC2=C1CC[C@@H]2C
Bornyl acetate, (-)- 5655-61-8 Monomolecular 93009 KGEKLUUHTZCSIP-HOSYDEDBSA-N CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C
Limonene-1,2-epoxide 203719-54-4 Sum of Isomers 441245 CCEFMUBVSUDRLG-XNWIYYODSA-N CC(=C)[C@@H]1CCC2(C(C1)O2)C
(+-)-Piperitone 89-81-6 Sum of Isomers 6987 YSTPAHQEHQSRJD-UHFFFAOYSA-N CC1=CC(=O)C(CC1)C(C)C
Citronellyl Acetate 150-84-5 Sum of Isomers 9017 JOZKFWLRHCDGJA-UHFFFAOYSA-N CC(CCC=C(C)C)CCOC(=O)C
(Z)-2-Penten-1-ol 1576-95-0 Monomolecular 5364919 BTSIZIIPFNVMHF-ARJAWSKDSA-N CC/C=C\CO
2-Buten-1-ol 6117-91-5 Sum of Isomers 20024 WCASXYBKJHWFMY-UHFFFAOYSA-N CC=CCO
6-Nonen-1-ol, (6Z)- 35854-86-5 Monomolecular 5362792 XJHRZBIBSSVCEL-ARJAWSKDSA-N CC/C=C\CCCCCO
2-Butyl-1-octanol 3913-02-8 Sum of Isomers 19800 XMVBHZBLHNOQON-UHFFFAOYSA-N CCCCCCC(CCCC)CO
Diethylene Glycol Monoethyl Ether 111-90-0 Monomolecular 8146 XXJWXESWEXIICW-UHFFFAOYSA-N CCOCCOCCO
Butyl laurate 106-18-3 Monomolecular 61015 NDKYEUQMPZIGFN-UHFFFAOYSA-N CCCCCCCCCCCC(=O)OCCCC
Hexyl propionate 2445-76-3 Monomolecular 88454 GOKKOFHHJFGZHW-UHFFFAOYSA-N CCCCCCOC(=O)CC
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