CAS: 149-57-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00002675 InChI Key: OBETXYAYXDNJHR-UHFFFAOYSA-N Synonym: 2-ethylcaproic acid, hexanoic acid, 2-ethyl, ethylhexanoic acid, ethylhexoic acid, 2-ethylhexoic acid, butylethylacetic acid, 2-butylbutanoic acid, 3-heptanecarboxylic acid, ethyl hexanoic acid, 2-ethyl-hexoic acid PubChem CID: 8697 IUPAC Name: 2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O

CAS: 93962-84-6 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 MDL Number: MFCD22380704 InChI Key: PMPNHSZLJPXGCD-UHFFFAOYSA-N Synonym: octahydro-4,7-methano-1h-indenyl methyl acrylate, acmc-20mslm, tricyclo 5.2.1.0 2 ,? decan-3-ylmethyl prop-2-enoate PubChem CID: 22051805 SMILES: C=CC(=O)OCC1CCC2C1C3CCC2C3

CAS: 719-22-2 Molecular Formula: C₁₄H₂₀O₂ Molecular Weight (g/mol): 220.31 InChI Key: RDQSIADLBQFVMY-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-p-benzoquinone, 2,6-di-tert-butyl-1,4-benzoquinone, 2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione, 2,6-di-tert-butylbenzoquinone, 2,6-di-tert-butylquinone, 2,6-di-t-butyl-p-benzoquinone, 2,5-cyclohexadiene-1,4-dione, 2,6-bis 1,1-dimethylethyl, p-benzoquinone, 2,6-di-tert-butyl, unii-4c9d8l0y0t, 2,6-di tert-butyl benzo-1,4-quinone PubChem CID: 12867 IUPAC Name: 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione SMILES: CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C

CAS: 17013-01-3 Molecular Formula: C₄H₂Na₂O₄ Molecular Weight (g/mol): 160.04 MDL Number: MFCD00064567 InChI Key: VXXVUHAXJHEYFH-SEPHDYHBSA-N Synonym: disodium fumarate, sodium fumarate, sodium fumarate dibasic, fumaric acid, disodium salt, fumaric acid disodium salt, fumaran sodny czech, fumaran sodny, disodium butenedioate, di-sodium fumarate, sodium monofumarate PubChem CID: 87110070 IUPAC Name: (E)-but-2-enedioic acid;sodium SMILES: C(=CC(=O)O)C(=O)O.[Na].[Na]

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.544 MDL Number: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: thymolphthalein, thymophthalein, unii-yg5i28wsqp, yg5i28wsqp, phenolphthalein, 5',5-diisopropyl-2',2-dimethyl, 3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one, 1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl, 5',5-diisopropyl-2',2-dimethylphenolphthalein, 3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one PubChem CID: 31316 IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

CAS: 50-23-7 Molecular Formula: C₂₁H₃₀O₅ Molecular Weight (g/mol): 362.47 MDL Number: MFCD00011654 InChI Key: JYGXADMDTFJGBT-VWUMJDOOSA-N Synonym: hydrocortisone, cortisol, acticort, cetacort, cortef, 17-hydroxycorticosterone, hydrocortisyl, hydrasson, cobadex, cortril PubChem CID: 5754 ChEBI: CHEBI:17650 IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O

CAS: 104-76-7 Molecular Formula: C₈H₁₈O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00004746 InChI Key: YIWUKEYIRIRTPP-UHFFFAOYSA-N Synonym: 2-ethylhexanol, 2-ethyl-1-hexanol, 1-hexanol, 2-ethyl, 2-ethylhexyl alcohol, ethylhexanol, alcohol, 2-ethylhexyl, xi-2-ethyl-1-hexanol, 2-aethylhexanol german, ethylhexanol, 2, fema no. 3151 PubChem CID: 7720 ChEBI: CHEBI:16011 IUPAC Name: 2-ethylhexan-1-ol SMILES: CCCCC(CC)CO

CAS: 149-57-5 Molecular Formula: C₈H₁₆O₂ Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002675 InChI Key: OBETXYAYXDNJHR-UHFFFAOYSA-N Synonym: 2-ethylcaproic acid, hexanoic acid, 2-ethyl, ethylhexanoic acid, ethylhexoic acid, 2-ethylhexoic acid, butylethylacetic acid, 2-butylbutanoic acid, 3-heptanecarboxylic acid, ethyl hexanoic acid, 2-ethyl-hexoic acid PubChem CID: 8697 IUPAC Name: 2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O

CAS: 60-01-5 Molecular Formula: C₁₅H₂₆O₆ Molecular Weight (g/mol): 302.36 MDL Number: MFCD00009392 InChI Key: UYXTWWCETRIEDR-UHFFFAOYSA-N Synonym: tributyrin, glyceryl tributyrate, glycerol tributyrate, tributin, butyrin, butyryl triglyceride, propane-1,2,3-triyl tributyrate, glycerol tributanoate, glyceroltributyrin, tri-n-butyrin PubChem CID: 6050 ChEBI: CHEBI:35020 IUPAC Name: 2,3-di(butanoyloxy)propyl butanoate SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

CAS: 102-76-1 Molecular Formula: C₉H₁₄O₆ Molecular Weight (g/mol): 218.21 InChI Key: URAYPUMNDPQOKB-UHFFFAOYSA-N Synonym: triacetin, glyceryl triacetate, glycerol triacetate, glycerin triacetate, enzactin, triacetine, triacetylglycerol, fungacetin, glyped, triacetyl glycerine PubChem CID: 5541 ChEBI: CHEBI:9661 IUPAC Name: 2,3-diacetyloxypropyl acetate SMILES: CC(=O)OCC(COC(=O)C)OC(=O)C

CAS: 99-48-9 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00869995,MFCD00062993 InChI Key: BAVONGHXFVOKBV-UHFFFAOYNA-N Synonym: carveol, p-mentha-6,8-dien-2-ol, p-mentha-1,8-dien-6-ol, 1-methyl-4-isopropenyl-6-cyclohexen-2-ol, 2-cyclohexen-1-ol, 2-methyl-5-1-methylethenyl, p-mentha-1 6 ,8-dien-2-ol, 5-isopropenyl-2-methyl-2-cyclohexen-1-ol, --carveol, l-carveol, 2-methyl-5-1-methylethenyl-2-cyclohexen-1-ol PubChem CID: 7438 ChEBI: CHEBI:23046 IUPAC Name: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol SMILES: CC(=C)C1CC=C(C)C(O)C1

CAS: 1732-08-7 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00008470 InChI Key: SHWINQXIGSEZAP-UHFFFAOYSA-N Synonym: dimethyl pimelate, heptanedioic acid, dimethyl ester, pimelic acid dimethyl ester, pimelic acid, dimethyl ester, dimethyl 1,7-heptanedioate, 1,7-dimethyl heptanedioate, heptanedioic acid, 1,7-dimethyl ester, unii-ge1pf3049f, heptanedioic acid dimethyl ester, 1ov5vo1 PubChem CID: 74416 IUPAC Name: dimethyl heptanedioate SMILES: COC(=O)CCCCCC(=O)OC

CAS: 138124-32-0 Molecular Formula: C₃₆H₅₂ClMnN₂O₂ Molecular Weight (g/mol): 635.21 MDL Number: MFCD02101664 InChI Key: YRVXCOIDMFNGIJ-SEILFYAJSA-M Synonym: 1r,2r---1,2-cyclohexanediamino-n,n'-bis 3,5-di-t-butylsalicylidene manganese iii chloride r,r-jacobsen cat. PubChem CID: 131675872 IUPAC Name: 2,4-ditert-butyl-6-[[[(1R,2R)-2-[(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one;manganese;chloride SMILES: CC(C)(C)C1=CC(=CNC2CCCCC2NC=C3C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C.[Cl-].[Mn]

CAS: 111-27-3 Molecular Formula: C₆H₁₄O Molecular Weight (g/mol): 102.18 InChI Key: ZSIAUFGUXNUGDI-UHFFFAOYSA-N Synonym: 1-hexanol, hexyl alcohol, hexanol, n-hexanol, n-hexyl alcohol, 1-hexyl alcohol, 1-hydroxyhexane, amylcarbinol, caproyl alcohol, pentylcarbinol PubChem CID: 8103 ChEBI: CHEBI:87393 IUPAC Name: hexan-1-ol SMILES: CCCCCCO

CAS: 1732-09-8 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00008471 InChI Key: LNLCRJXCNQABMV-UHFFFAOYSA-N Synonym: dimethyl suberate, octanedioic acid, dimethyl ester, suberic acid, dimethyl ester, octanedioic acid dimethyl ester, suberic acid dimethyl ester, octanedioic acid dimethyl, 1,8-dimethyl octanedioate, octanedioic acid, 1,8-dimethyl ester, dimethyl octane-1,8-dioate PubChem CID: 15611 ChEBI: CHEBI:81345 IUPAC Name: dimethyl octanedioate SMILES: COC(=O)CCCCCCC(=O)OC

CAS: 818-72-4 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.20 MDL Number: MFCD00004588 InChI Key: VUGRNZHKYVHZSN-UHFFFAOYNA-N Synonym: 1-octyn-3-ol, 1-octyne-3-ol, oct-1-yne-3-ol, 1-oct-1-yn-3-ol, 3-hydroxyoct-1-yne, acmc-20apfv, acmc-20apkf, rac-1-octyn-3-ol, oct-1 yn-3 ol, pubchem11033 PubChem CID: 13166 IUPAC Name: oct-1-yn-3-ol SMILES: CCCCCC(O)C#C

CAS: 464-49-3 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00064149,MFCD00074738,MFCD00064149,MFCD00064149 InChI Key: DSSYKIVIOFKYAU-XVKPBYJWSA-N Synonym: +-camphor, d-camphor, 1r-+-camphor, r-camphor, +-bornan-2-one, r-+-camphor, 1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-one, 1r,4r-camphor, camphor d, +-2-bornanone PubChem CID: 159055 ChEBI: CHEBI:15396 IUPAC Name: (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C)[C@H]2CC[C@@]1(C)C(=O)C2

CAS: 50-14-6 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.66 MDL Number: MFCD00166988,MFCD11656674 InChI Key: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonym: ergocalciferol, vitamin d2, calciferol, viosterol, oleovitamin d2, ercalciol, ergorone, detalup, condocaps, crystallina PubChem CID: 134129658 IUPAC Name: (1S,3E)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C

CAS: 427-51-0 Molecular Formula: C₂₄H₂₉ClO₄ Molecular Weight (g/mol): 416.94 InChI Key: UWFYSQMTEOIJJG-FDTZYFLXSA-N Synonym: cyproterone acetate, androcur, cyproterone 17-o-acetate, cyproteron acetate, cyproteron-r acetate, cyprosterone acetate, unii-4km2bn5jhf, cyproteroneacetate, cyproterone 17alpha-acetate, ccris 4385 PubChem CID: 9880 ChEBI: CHEBI:50743 SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C

CAS: 112-39-0 Molecular Formula: C₁₇H₃₄O₂ Molecular Weight (g/mol): 270.45 MDL Number: MFCD00008994 InChI Key: FLIACVVOZYBSBS-UHFFFAOYSA-N Synonym: methyl palmitate, palmitic acid methyl ester, hexadecanoic acid, methyl ester, palmitic acid, methyl ester, uniphat a60, metholene 2216, methyl n-hexadecanoate, hexadecanoic acid methyl ester, n-hexadecanoic acid methyl ester, unii-dpy8vcm98i PubChem CID: 8181 ChEBI: CHEBI:69187 IUPAC Name: methyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC

CAS: 73482-96-9 Molecular Formula: C32H60O8Rh2 Molecular Weight (g/mol): 778.635 MDL Number: MFCD00064724 InChI Key: FZXFNYFVNKTQSX-UHFFFAOYSA-J Synonym: chloro 1,2,3-eta-3-phenyl-2-propenyl 1,3-bis 2,6-di-i-propylphenyl imidazol-2-ylidene palladium ii PubChem CID: 131858392 IUPAC Name: octanoate;rhodium(2+) SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Rh+2].[Rh+2]

CAS: 127-47-9 Molecular Formula: C22H32O2 Molecular Weight (g/mol): 328.496 MDL Number: MFCD00019413 InChI Key: QGNJRVVDBSJHIZ-QHLGVNSISA-N Synonym: retinyl acetate, vitamin a acetate, retinol acetate, retinol, acetate, all-trans-retinyl acetate, crystalets, vitamin a1 acetate, all-trans-retinol acetate, vitamin a alcohol acetate, davitan a 650 PubChem CID: 638034 ChEBI: CHEBI:32095 IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C

CAS: 3588-17-8 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00002702 InChI Key: TXXHDPDFNKHHGW-ZPUQHVIOSA-N Synonym: trans,trans-muconic acid, muconic acid, e,e-muconic acid, 2,4-hexadienedioic acid, trans, trans-muconic acid, hexa-2,4-dienedioic acid, 2e,4e-hexa-2,4-dienedioic acid, 1,3-butadiene-1,4-dicarboxylic acid, 2,4-hexadienedioic acid, e,e, trans,trans-2,4-hexadienedioic acid PubChem CID: 5356793 ChEBI: CHEBI:27036 IUPAC Name: (2E,4E)-hexa-2,4-dienedioic acid SMILES: C(=CC(=O)O)C=CC(=O)O

CAS: 5675-51-4 Molecular Formula: C12H26O2 Molecular Weight (g/mol): 202.34 MDL Number: MFCD00004755 InChI Key: GHLKSLMMWAKNBM-UHFFFAOYSA-N Synonym: 1,12-dodecanediol, dodecamethylene glycol, chembl17440, 1,12-dihydroxy dodecane, 1,12-dodecandiol, 1,12-dodecane diol, acmc-1ambo, 1,12-dihydroxydodecane, ksc270c5h PubChem CID: 79758 IUPAC Name: dodecane-1,12-diol SMILES: OCCCCCCCCCCCCO

CAS: 494-90-6 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00041851 InChI Key: YGWKXXYGDYYFJU-UHFFFAOYSA-N Synonym: menthofuran, menthofurane, 3,9-epoxy-p-mentha-3,8-diene, benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl, p-mentha-3,8-diene, 3,9-epoxy, 4,5,6,7-tetrahydro-3,6-dimethylbenzofuran, fema no. 3235, 4,5,6,7-tetrahydro-3,6-dimethylcoumarone, r-menthofuran, 3,6-dimethyl-4,5,6,7-tetrahydrobenzo 2,1-b furan PubChem CID: 329983 ChEBI: CHEBI:50542 IUPAC Name: 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran SMILES: CC1CCC2=C(C1)OC=C2C

CAS: 506-30-9 Molecular Formula: C20H40O2 Molecular Weight (g/mol): 312.54 MDL Number: MFCD00002755 InChI Key: VKOBVWXKNCXXDE-UHFFFAOYSA-N Synonym: arachidic acid, eicosanoic acid, arachic acid, n-eicosanoic acid, arachidinic acid, arachidate, eicosanoate, unii-pqb8mjd4rb, pqb8mjd4rb, n-eicosanoate PubChem CID: 10467 ChEBI: CHEBI:28822 IUPAC Name: icosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCC(O)=O

CAS: 90325-47-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.175 MDL Number: MFCD00043071 InChI Key: XYXCXCJKZRDVPU-UHFFFAOYSA-N Synonym: 1,2,3-hexanetriol, rac-syn-hexane-1,2,3-triol, dsstox_cid_31384, dsstox_gsid_52884, 1,2,3-hexanetriol solution, 1,2,3-hexanetriol 1 m solution, 1,2,3-hexanetriol, bioxtra gc, additive screening solution 07/fluka kit no 78374 PubChem CID: 2724429 IUPAC Name: hexane-1,2,3-triol SMILES: CCCC(C(CO)O)O

CAS: 923-06-8 Molecular Formula: C4H5BrO4 Molecular Weight (g/mol): 196.98 MDL Number: MFCD00004213 InChI Key: QQWGVQWAEANRTK-UHFFFAOYNA-N Synonym: bromosuccinic acid, 2-bromosuccinic acid, monobromosuccinic acid, butanedioic acid, bromo, +--bromosuccinic acid, dl-bromosuccinic acid, rs-bromosuccinic acid, succinic acid, bromo, bromobutanedioic acid PubChem CID: 73557 ChEBI: CHEBI:73712 IUPAC Name: 2-bromobutanedioic acid SMILES: OC(=O)CC(Br)C(O)=O