Flavors & Fragrances

Cas#: 7779-65-9        Compound CID:  5273467

Formula:  C₁₄H₁₈O₂        Molecular Weight: 218.29

IUPAC Name: 3-methylbutyl (E)-3-phenylprop-2-enoate

SMILES: CC(C)CCOC(=O)C=CC1=CC=CC=C1

InChIKey: JFHCDEYLWGVZMX-CMDGGOBGSA-N

InChI: InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+

Cas#: 98-00-0        Compound CID:  7361

Formula:  C₅H₆O₂        Molecular Weight: 98.1

IUPAC Name: furan-2-ylmethanol

SMILES: C1=COC(=C1)CO

InChIKey: XPFVYQJUAUNWIW-UHFFFAOYSA-N

InChI: InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2

Cas#: 106-29-6        Compound CID:  5355856

Formula:  C₁₄H₂₄O₂        Molecular Weight: 224.34

IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] butanoate

SMILES: CCCC(=O)OCC=C(C)CCC=C(C)C

InChIKey: ZSBOMYJPSRFZAL-JLHYYAGUSA-N

InChI: InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+

Cas#: 98-86-2        Compound CID:  7410

Formula:  C₈H₈O        Molecular Weight: 120.15

IUPAC Name: 1-phenylethanone

SMILES: CC(=O)C1=CC=CC=C1

InChIKey: KWOLFJPFCHCOCG-UHFFFAOYSA-N

InChI: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

Cas#: 142-92-7        Compound CID:  8908

Formula:  C₈H₁₆O₂        Molecular Weight: 144.21

IUPAC Name: hexyl acetate

SMILES: CCCCCCOC(=O)C

InChIKey: AOGQPLXWSUTHQB-UHFFFAOYSA-N

InChI: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3

Cas#: 4404-45-9        Compound CID:  78120

Formula:  CH₃(CH₂)₅NCS        Molecular Weight: 143.25

IUPAC Name: 1-isothiocyanatohexane

SMILES: CCCCCCN=C=S

InChIKey: WXYAXKKXIGHXDS-UHFFFAOYSA-N

InChI: InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

Cas#: 107-75-5        Compound CID:  7888

Formula:  C₁₀H₂₀O₂        Molecular Weight: 172.26

IUPAC Name: 7-hydroxy-3,7-dimethyloctanal

SMILES: CC(CCCC(C)(C)O)CC=O

InChIKey: WPFVBOQKRVRMJB-UHFFFAOYSA-N

InChI: InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3

Cas#: 123-75-1        Compound CID:  31268

Formula:  C₄H₉N        Molecular Weight: 71.12

IUPAC Name: pyrrolidine

SMILES: C1CCNC1

InChIKey: RWRDLPDLKQPQOW-UHFFFAOYSA-N

InChI: InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2

Cas#: 61789-91-1       

Cas#: 8002-68-4        Compound CID:  168266389

Formula:        

SMILES: C=C1CC2(CCN(C2)C3=CC=CC=N3)C(=O)N1.C=C1CC2(CCN(C2)C3=CC=CC=N3)C(=O)N1.C=C1CC2(CCN(C2)C3=CC=CC=N3)C(=O)N1.C=C1CC2(CCN(C2)C3=CC=CC=N3)C(=O)N1

Cas#: 2568-25-4        Compound CID:  595928

Formula:  C₁₀H₁₂O₂        Molecular Weight: 164.2

IUPAC Name: 4-methyl-2-phenyl-1,3-dioxolane

SMILES: CC1COC(O1)C2=CC=CC=C2

InChIKey: CDIKGISJRLTLRA-UHFFFAOYSA-N

InChI: InChI=1S/C10H12O2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

Cas#: 141-97-9        Compound CID:  8868

Formula:  CH₃COCH₂COOC₂H₅        Molecular Weight: 130.14

IUPAC Name: ethyl 3-oxobutanoate

SMILES: CCOC(=O)CC(=O)C

InChIKey: XYIBRDXRRQCHLP-UHFFFAOYSA-N

InChI: InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3