Flavors & Fragrances

Cas#: 8006-64-2        Compound CID:  6506

Formula:  C₁₀H₁₆        Molecular Weight: 136.23

IUPAC Name: triethyl 2-hydroxypropane-1,2,3-tricarboxylate

SMILES: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O

InChIKey: DOOTYTYQINUNNV-UHFFFAOYSA-N

InChI: InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3

Cas#: 8006-90-4        Compound CID:  6850741

Formula:  C₆₂H₁₀₈O₇        Molecular Weight: 965.5

IUPAC Name: 3,7-dimethyl-1-oxaspiro[3.5]nonane;3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran;5-methyl-2-propan-2-ylcyclohexan-1-ol;5-methyl-2-propan-2-ylcyclohexan-1-one;(5-methyl-2-propan-2-ylcyclohexyl) acetate;5-methyl-2-propan-2-ylidenecyclohexan-1-one

SMILES: CC1CCC2(CC1)C(CO2)C.CC1CCC(C(C1)O)C(C)C.CC1CCC(C(C1)OC(=O)C)C(C)C.CC1CCC(C(=O)C1)C(C)C.CC1CCC2=C(C1)OC=C2C.CC1CCC(=C(C)C)C(=O)C1

InChIKey: NQSRBDFLQKBVKK-UHFFFAOYSA-N

InChI: InChI=1S/C12H22O2.C10H18O.C10H14O.C10H20O.C10H18O.C10H16O/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13;1-8-3-5-10(6-4-8)9(2)7-11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;3*1-7(2)9-5-4-8(3)6-10(9)11/h8-9,11-12H,5-7H2,1-4H3;8-9H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;7-11H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;8H,4-6H2,1-3H3

Cas#: 1754-62-7        Compound CID:  637520

Formula:  C₁₀H₁₀O₂        Molecular Weight: 162.19

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

SMILES: COC(=O)C=CC1=CC=CC=C1

InChIKey: CCRCUPLGCSFEDV-BQYQJAHWSA-N

InChI: InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+

Cas#: 122-48-5        Compound CID:  31211

Formula:  C₁₁H₁₄O₃        Molecular Weight: 194.23

IUPAC Name: 4-(4-hydroxy-3-methoxyphenyl)butan-2-one

SMILES: CC(=O)CCC1=CC(=C(C=C1)O)OC

InChIKey: OJYLAHXKWMRDGS-UHFFFAOYSA-N

InChI: InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3

Cas#: 1120-21-4        Compound CID:  14257

Formula:  C₁₁H₂₄        Molecular Weight: 156.31

IUPAC Name: undecane

SMILES: CCCCCCCCCCC

InChIKey: RSJKGSCJYJTIGS-UHFFFAOYSA-N

InChI: InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3

Cas#: 122-78-1        Compound CID:  998

Formula:  C₈H₈O        Molecular Weight: 120.15

IUPAC Name: 2-phenylacetaldehyde

SMILES: C1=CC=C(C=C1)CC=O

InChIKey: DTUQWGWMVIHBKE-UHFFFAOYSA-N

InChI: InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2

Cas#: 68647-73-4        Compound CID:  22833361

Formula:  C₂₈H₆₀O₄P₂S₄Zn        Molecular Weight: 716.4

IUPAC Name: zinc;diheptoxy-sulfanylidene-sulfido-λ5-phosphane

SMILES: CCCCCCCOP(=S)(OCCCCCCC)[S-].CCCCCCCOP(=S)(OCCCCCCC)[S-].[Zn+2]

InChIKey: ZKAQFYDDTYGBBV-UHFFFAOYSA-L

InChI: InChI=1S/2C14H31O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2;/h2*3-14H2,1-2H3,(H,18,19);/q;;+2/p-2

Cas#: 50-69-1        Compound CID:  5311110

Formula:  C₅H₁₀O₅        Molecular Weight: 150.13

IUPAC Name: (2R,3R,4R)-2,3,4,5-tetrahydroxypentanal

SMILES: C(C(C(C(C=O)O)O)O)O

InChIKey: PYMYPHUHKUWMLA-LMVFSUKVSA-N

InChI: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1

Cas#: 7541-49-3        Compound CID:  5366244

Formula:  CH₃[CH(CH₃)(CH₂)₃]₃C(CH₃)=CHCH₂OH        Molecular Weight: 296.53

IUPAC Name: (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol

SMILES: CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C

InChIKey: BOTWFXYSPFMFNR-HMMYKYKNSA-N

InChI: InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+

Cas#: 8002-75-3        Compound CID:  168010143

SMILES: CCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(COC(=O)C=C)OC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4.CC1=CC(=C(C=C1)OC(=O)C2=CC3=CC(=C(C=C3C=C2)OC(=O)C4=CC=C(C=C4)OCC(COCCCCOC(=O)C=C)OC(=O)CCOC(=O)C=C)C=NNC5=NC6=CC=CC=C6S5)C.CC1=C(C=CC(=C1)OC)OC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(COCCCCOC(=O)C=C)OC(=O)CCOC(=O)C=C)C=NNC4=NC5=CC=CC=C5S4

Cas#: 4208-49-5        Compound CID:  61337

Formula:  C₈H₈O₃        Molecular Weight: 152.15

IUPAC Name: prop-2-enyl furan-2-carboxylate

SMILES: C=CCOC(=O)C1=CC=CO1

InChIKey: SJRQTHAMRUOPBJ-UHFFFAOYSA-N

InChI: InChI=1S/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2

Cas#: 103-52-6        Compound CID:  7658

Formula:  C₁₂H₁₆O₂        Molecular Weight: 192.25

IUPAC Name: 2-phenylethyl butanoate

SMILES: CCCC(=O)OCCC1=CC=CC=C1

InChIKey: WFNDDSQUKATKNX-UHFFFAOYSA-N

InChI: InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3