Monoterpenoids

Geraniol, 99%, ACROS Organics™

CAS: 106-24-1 Fórmula molecular: C10H18O Molecular Weight (g/mol): 154.25 Número MDL: MFCD00002917 InChI Key: GLZPCOQZEFWAFX-JXMROGBWSA-N Sinónimo: geraniol, lemonol, geranyl alcohol, trans-geraniol, e-geraniol, e-nerol, trans-3,7-dimethyl-2,6-octadien-1-ol, e-3,7-dimethylocta-2,6-dien-1-ol, 2e-3,7-dimethylocta-2,6-dien-1-ol, geraniol extra PubChem CID: 637566 ChEBI: CHEBI:17447 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol SMILES: CC(=CCCC(=CCO)C)C

Thymol, 99%, ACROS Organics™

CAS: 89-83-8 Fórmula molecular: C10H14O Molecular Weight (g/mol): 150.22 Número MDL: MFCD00002309 InChI Key: MGSRCZKZVOBKFT-UHFFFAOYSA-N Sinónimo: thymol, 2-isopropyl-5-methylphenol, 5-methyl-2-isopropylphenol, thyme camphor, 3-p-cymenol, 6-isopropyl-m-cresol, thymic acid, isopropyl cresol, 5-methyl-2-1-methylethyl phenol, 6-isopropyl-3-methylphenol PubChem CID: 6989 ChEBI: CHEBI:27607 IUPAC Name: 5-methyl-2-propan-2-ylphenol SMILES: CC1=CC(=C(C=C1)C(C)C)O

(S)-cis-Verbenol, 97%, sum of isomers, ACROS Organics™

CAS: 18881-04-4 Fórmula molecular: C10H16O Molecular Weight (g/mol): 152.24 Número MDL: MFCD00065444 InChI Key: WONIGEXYPVIKFS-YIZRAAEISA-N Sinónimo: s-cis-verbenol, verbenol, s-cis, unii-xr9t57f48t, cis-verbenol, bicyclo 3.1.1 hept-3-en-2-ol, 4,6,6-trimethyl-, 1s,2s,5s, 1s-cis-verbenol, ccris 5289, ?-cis-verbenol PubChem CID: 87839 IUPAC Name: (1S,2S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol SMILES: CC1=CC(C2CC1C2(C)C)O

Alfa Aesar™ Thymol, 98+%

CAS: 89-83-8 Fórmula molecular: C10H14O Molecular Weight (g/mol): 150.221 Número MDL: MFCD00002309 InChI Key: MGSRCZKZVOBKFT-UHFFFAOYSA-N Sinónimo: 2-Isopropyl-5-methylphenol PubChem CID: 6989 ChEBI: CHEBI:27607 IUPAC Name: 5-methyl-2-propan-2-ylphenol SMILES: CC1=CC(=C(C=C1)C(C)C)O

Alfa Aesar™ Thymolphthalein

CAS: 125-20-2 Fórmula molecular: C28H30O4 Molecular Weight (g/mol): 430.544 Número MDL: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Sinónimo: 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

p-Cymene, 99+%, Acros Organics

CAS: 99-87-6 Fórmula molecular: C10H14 Molecular Weight (g/mol): 134.22 Número MDL: MFCD00008893 InChI Key: HFPZCAJZSCWRBC-UHFFFAOYSA-N Sinónimo: p-cymene, 4-isopropyltoluene, p-isopropyltoluene, dolcymene, p-cymol, paracymene, cymene, para-cymene, 1-isopropyl-4-methylbenzene, camphogen PubChem CID: 7463 ChEBI: CHEBI:28768 IUPAC Name: 1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C

Citronellol, 95%, Acros Organics

CAS: 106-22-9 Fórmula molecular: C10H20O Molecular Weight (g/mol): 156.27 Número MDL: MFCD00002935 InChI Key: QMVPMAAFGQKVCJ-UHFFFAOYSA-N Sinónimo: citronellol, beta-citronellol, 3,7-dimethyl-6-octen-1-ol, dl-citronellol, cephrol, elenol, 6-octen-1-ol, 3,7-dimethyl, rodinol, 2,3-dihydrogeraniol, 2,6-dimethyl-2-octen-8-ol PubChem CID: 8842 ChEBI: CHEBI:50462 IUPAC Name: 3,7-dimethyloct-6-en-1-ol SMILES: CC(CCC=C(C)C)CCO

(+/-)-Camphor, 96%, Alfa Aesar™

CAS: 76-22-2 Fórmula molecular: C10H16O Molecular Weight (g/mol): 152.237 Número MDL: MFCD00074738 InChI Key: DSSYKIVIOFKYAU-UHFFFAOYSA-N Sinónimo: camphor, dl-camphor, 2-camphanone, 2-bornanone, l---camphor, +/--camphor, root bark oil, 1,7,7-trimethylbicyclo 2.2.1 heptan-2-one, bornan-2-one, alphanon PubChem CID: 2537 ChEBI: CHEBI:36773 IUPAC Name: 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC1(C(=O)C2)C)C

Alfa Aesar™ 4-Isopropylphenylacetonitrile, 98+%

CAS: 4395-87-3 Fórmula molecular: C11H13N Molecular Weight (g/mol): 159.232 Número MDL: MFCD00040892 InChI Key: RIPHZOPMCRSGSI-UHFFFAOYSA-N Sinónimo: 4-isopropylphenylacetonitrile, 2-4-isopropylphenyl acetonitrile, 4-isopropylphenyl acetonitrile, 2-4-propan-2-yl phenyl acetonitrile, 4-propan-2-yl phenyl acetonitrile, pubchem17248, acmc-20ai20, 2-4-propan-2-ylphenyl acetonitrile, 2-4-methylethyl phenyl ethanenitrile PubChem CID: 138222 IUPAC Name: 2-(4-propan-2-ylphenyl)acetonitrile SMILES: CC(C)C1=CC=C(C=C1)CC#N

(1R,2R,3R,5S)-(-)-Isopinocampheylamine, 95%, ACROS Organics™

CAS: 69460-11-3 Fórmula molecular: C10H19N Molecular Weight (g/mol): 153.27 InChI Key: VPTSZLVPZCTAHZ-BZNPZCIMSA-N Sinónimo: 1r,2r,3r,5s---isopinocampheylamine, 1r,2r,3r,5s-2,6,6-trimethylbicyclo 3.1.1 heptan-3-amine, bicyclo 3.1.1 heptan-3-amine, 2,6,6-trimethyl-, 1r,2r,3r,5s, --isopinocampheylamine, --isopinocampheyl amine, 1r,2r,3r,5s-3-pinanamine, 1r,2r,5s-pinane-3alpha-amine, --isopinocampheylamine; 1r,2r,3r,5s-3-pinanamine, 1r,2r,3r,5s-2,6,6-trimeth-ylbicyclo 3.1.1 heptane-3-amine PubChem CID: 11744832 IUPAC Name: (1S,3R,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-3-amine SMILES: CC1C2CC(C2(C)C)CC1N

DL-Camphor, 96%, ACROS Organics™

CAS: 76-22-2 Fórmula molecular: C10H16O Molecular Weight (g/mol): 152.24 Número MDL: MFCD00074738 InChI Key: DSSYKIVIOFKYAU-UHFFFAOYSA-N Sinónimo: camphor, dl-camphor, 2-camphanone, 2-bornanone, l---camphor, +/--camphor, root bark oil, 1,7,7-trimethylbicyclo 2.2.1 heptan-2-one, bornan-2-one, alphanon PubChem CID: 2537 ChEBI: CHEBI:36773 IUPAC Name: 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC1(C(=O)C2)C)C

α-Terpineol, 97+%, ACROS Organics™

CAS: 98-55-5 Fórmula molecular: C10H18O Molecular Weight (g/mol): 154.25 Número MDL: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Sinónimo: alpha-terpineol, terpineol, p-menth-1-en-8-ol, 2-4-methylcyclohex-3-en-1-yl propan-2-ol, dl-alpha-terpineol, 1-p-menthen-8-ol, 1-menthene-8-ol, terpineol schlechthin, carvomenthenol, terpenol PubChem CID: 17100 ChEBI: CHEBI:22469 IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol SMILES: CC1=CCC(CC1)C(C)(C)O

Alfa Aesar™ Bis(pentamethylcyclopentadienyl)barium 1,2-dimethoxyethane adduct

CAS: 312739-90-5 Fórmula molecular: C20H30Ba Molecular Weight (g/mol): 407.787 Número MDL: MFCD02684523 InChI Key: ZVWNPBSWYPWMIF-UHFFFAOYSA-N Sinónimo: acmc-1aijw, barium,bis 1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl PubChem CID: 21946354 IUPAC Name: barium(2+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene SMILES: CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Ba+2]

D(+)-Carvone, 98%, synthetic, ACROS Organics™

CAS: 2244-16-8 Fórmula molecular: C10H14O Molecular Weight (g/mol): 150.22 Número MDL: MFCD00062997 InChI Key: ULDHMXUKGWMISQ-VIFPVBQESA-N Sinónimo: d-carvone, +-carvone, s-+-carvone, s-carvone, s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone, +-s-carvone, carvone, +, d +-carvone, carvol, s-+-p-mentha-6,8-dien-2-one PubChem CID: 16724 ChEBI: CHEBI:15399 IUPAC Name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one SMILES: CC1=CCC(CC1=O)C(=C)C

Alfa Aesar™ (1S)-(-)-Camphorsulfonylimine, 98+%

CAS: 60886-80-8 Fórmula molecular: C10H15NO2S Molecular Weight (g/mol): 213.295 Número MDL: MFCD00064576 InChI Key: ZAHOEBNYVSWBBW-OIBJUYFYSA-N Sinónimo: 1s,7s-10,10-dimethyl-3-thia-4-azatricyclo 5.2.1.0<1,5> dec-4-ene-3,3-dione, 1s,7s-10,10-dimethyl-3??-thia-4-azatricyclo 5.2.1.0 1 ,? dec-4-ene-3,3-dione PubChem CID: 45925640 SMILES: CC1(C2CCC13CS(=O)(=O)N=C3C2)C

Pulegone, 92%, pract., Acros Organics

CAS: 89-82-7 Fórmula molecular: C10H16O Molecular Weight (g/mol): 152.24 Número MDL: MFCD00063000 InChI Key: NZGWDASTMWDZIW-QMMMGPOBSA-N Sinónimo: --pulegone, s---pulegone, pulegone,-, unii-hl7z89m60h, cyclohexanone, 5-methyl-2-1-methylethylidene-, s, s-p-menth-4 8-en-3-one, s-2-isopropylidene-5-methylcyclohexanone, 5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one PubChem CID: 638012 ChEBI: CHEBI:81226 IUPAC Name: (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one SMILES: CC1CCC(=C(C)C)C(=O)C1

1,4-Diisopropylbenzene, 99%, ACROS Organics™

CAS: 100-18-5 Fórmula molecular: C12H18 Molecular Weight (g/mol): 162.27 Número MDL: MFCD00008892 InChI Key: SPPWGCYEYAMHDT-UHFFFAOYSA-N Sinónimo: 1,4-diisopropylbenzene, p-diisopropylbenzene, benzene, p-diisopropyl, benzene, 1,4-bis 1-methylethyl, para-diisopropylbenzene, p-diisopropylbenzol, 1,4-bis 1-methylethyl benzene, unii-5m62031nzp, 1,4-di propan-2-yl benzene, dsstox_cid_6652 PubChem CID: 7486 IUPAC Name: 1,4-di(propan-2-yl)benzene SMILES: CC(C)C1=CC=C(C=C1)C(C)C

Citronellal, 93%, pract., Acros Organics

CAS: 106-23-0 Fórmula molecular: C10H18O Molecular Weight (g/mol): 154.25 Número MDL: MFCD00038090 InChI Key: NEHNMFOYXAPHSD-UHFFFAOYSA-N Sinónimo: citronellal, rhodinal, 3,7-dimethyl-6-octenal, 2,3-dihydrocitral, 6-octenal, 3,7-dimethyl, citronellel, citronella, 3,7-dimethyl-6-octen-1-al, beta-citronellal, d-rhodinal PubChem CID: 7794 ChEBI: CHEBI:47856 IUPAC Name: 3,7-dimethyloct-6-enal SMILES: CC(CCC=C(C)C)CC=O

Alfa Aesar™ p-Mentha-8-thiol-3-one, cis + trans, 97%

CAS: 38462-22-5 Fórmula molecular: C10H18OS Molecular Weight (g/mol): 186.313 Número MDL: MFCD00012393 InChI Key: RVOKNSFEAOYULQ-UHFFFAOYSA-N Sinónimo: p-mentha-8-thiol-3-one, 8-mercaptomenthone, 8-mercapto-p-menthan-3-one, thiomenthone, 8-mercapto-p-menthane-3-one, cyclohexanone, 2-1-mercapto-1-methylethyl-5-methyl, 2-1-mercapto-1-methylethyl-5-methylcyclohexanone, buchu mercaptan, 5-methyl-2-2-sulfanylpropan-2-yl cyclohexan-1-one, 2-1-mercapto-1-methylethyl-5-methylcyclohexan-1-one PubChem CID: 61982 IUPAC Name: 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one SMILES: CC1CCC(C(=O)C1)C(C)(C)S

Alfa Aesar™ 3,5-Di-tert-butyl-o-benzoquinone, 98+%

CAS: 3383-21-9 Fórmula molecular: C14H20O2 Molecular Weight (g/mol): 220.312 Número MDL: MFCD00001647 InChI Key: NOUZOVBGCDDMSX-UHFFFAOYSA-N Sinónimo: 3,5-di-tert-butyl-o-benzoquinone, 3,5-di-tert-butyl-1,2-benzoquinone, 3,5-di tert-butyl benzo-1,2-quinone, 3,5-cyclohexadiene-1,2-dione, 3,5-bis 1,1-dimethylethyl, 3,5-di-tert-butylcyclohexa-3,5-diene-1,2-dione, o-benzoquinone, 3,5-di-tert-butyl, 3,5-di-tert-butylbenzo-1,2-quinone, 3,5-di-t-butyl-1,2-benzoquinone, 3,5-ditert-butylbenzo-1,2-quinone, 3,5-bis tert-butyl cyclohexa-3,5-diene-1,2-dione PubChem CID: 76915 IUPAC Name: 3,5-ditert-butylcyclohexa-3,5-diene-1,2-dione SMILES: CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C

Alfa Aesar™ Nerol, 97%

CAS: 106-25-2 Fórmula molecular: C10H18O Molecular Weight (g/mol): 154.253 Número MDL: MFCD00063204 InChI Key: GLZPCOQZEFWAFX-YFHOEESVSA-N Sinónimo: nerol, cis-geraniol, neryl alcohol, z-3,7-dimethylocta-2,6-dien-1-ol, z-geraniol, 2z-3,7-dimethylocta-2,6-dien-1-ol, 2,6-octadien-1-ol, 3,7-dimethyl-, 2z, nerol natural, cis-3,7-dimethyl-2,6-octadien-1-ol, z-3,7-dimethyl-2,6-octadien-1-ol PubChem CID: 643820 ChEBI: CHEBI:29452 IUPAC Name: (2Z)-3,7-dimethylocta-2,6-dien-1-ol SMILES: CC(=CCCC(=CCO)C)C

4-Isopropylbenzonitrile, 95%, Maybridge

CAS: 13816-33-6 Fórmula molecular: C10H11N Molecular Weight (g/mol): 145.205 Número MDL: MFCD00052966 InChI Key: YFDJCWXBKWRDPW-UHFFFAOYSA-N Sinónimo: 4-isopropylbenzonitrile, cuminyl nitrile, p-cyanocumene, benzonitrile, 4-1-methylethyl, cuminonitrile, cuminic nitrile, p-isopropylbenzonitrile, benzonitrile, p-isopropyl, 4-1-methylethyl benzonitrile, 4-propan-2-yl benzonitrile PubChem CID: 26289 IUPAC Name: 4-propan-2-ylbenzonitrile SMILES: CC(C)C1=CC=C(C=C1)C#N

Thymolphthalein, 0.05% w/v solution in ethanol, Alfa Aesar™

CAS: 125-20-2 Fórmula molecular: C28H30O4 Molecular Weight (g/mol): 430.544 Número MDL: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N 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

L(-)-Fenchone, 98+%, ACROS Organics™

CAS: 7787-20-4 Fórmula molecular: C10H16O Molecular Weight (g/mol): 152.24 Número MDL: MFCD00151104 InChI Key: LHXDLQBQYFFVNW-GMSGAONNSA-N Sinónimo: l-fenchone, 1r-fenchone, 1r,4r-2,2,4-trimethylbicyclo 2.2.1 heptan-3-one, 2r,5r-2,6,6-trimethyl-2,5-methanocyclohexane-1-one PubChem CID: 3034206 IUPAC Name: (1R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC(C2)(C1=O)C)C

(1S,2S,3R,5S)-(+)-2,3-Pinanediol, 98%, ACROS Organics™

CAS: 18680-27-8 Fórmula molecular: C10H18O2 Molecular Weight (g/mol): 170.25 Número MDL: MFCD00077851 InChI Key: MOILFCKRQFQVFS-OORONAJNSA-N Sinónimo: 1s,2s,3r,5s-+-2,3-pinanediol, 1s,2s,3r,5s-2,6,6-trimethylbicyclo 3.1.1 heptane-2,3-diol, 1s,2s,3r,5s-+-pinanediol, +-pinanediol, pinanediol, +, unii-y6zcv4avra, +-2-hydroxyisopinocampheol, y6zcv4avra, 1s,2s,3r,5s-2,3-pinanediol, bicyclo 3.1.1 heptane-2,3-diol, 2,6,6-trimethyl-, 1s,2s,3r,5s PubChem CID: 10219606 IUPAC Name: (1S,3R,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol SMILES: CC1(C2CC1C(C(C2)O)(C)O)C

(+)-Dihydrocarvone, 98%, mixture of isomers, ACROS Organics™

CAS: 5524-05-0 Fórmula molecular: C10H16O Molecular Weight (g/mol): 152.24 Número MDL: MFCD00001636 InChI Key: AZOCECCLWFDTAP-RKDXNWHRSA-N Sinónimo: +-dihydrocarvone, d-dihydrocarvone, 1r,4r-dihydrocarvone, e-dihydrocarvone, unii-vta43h364z, 2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one, 2r,5r-2-methyl-5-isopropenylcyclohexanone, 2r,5r-5-isopropenyl-2-methylcyclohexanone, 2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone, cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r PubChem CID: 22227 ChEBI: CHEBI:154 IUPAC Name: (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one SMILES: CC1CCC(CC1=O)C(=C)C

Alfa Aesar™ 3-Methoxybenzhydrazide, 98+%

CAS: 5785-06-8 Fórmula molecular: C10H16 Molecular Weight (g/mol): 136.24 Número MDL: MFCD00007601 InChI Key: CRPUJAZIXJMDBK-UHFFFAOYNA-N Sinónimo: 1s-2,2-dimethyl-3-methylidenebicyclo 2.2.1 heptane, s-camphene, 1s,4r-2,2-dimethyl-3-methylene-bicyclo 2.2.1 heptane PubChem CID: 6560154 IUPAC Name: (1S,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane SMILES: CC1(C2CCC(C2)C1=C)C

Alfa Aesar™ N,N-Diisopropyl-3-nitrobenzamide, 97%

CAS: 2448-06-8 Fórmula molecular: C10H22O3 Molecular Weight (g/mol): 190.28 Número MDL: MFCD00594354 InChI Key: JGKJMBOJWVAMIJ-UHFFFAOYSA-N Sinónimo: terpin hydrate, p-menthane-1,8-diol monohydrate, terpin monohydrate, terpin cis-form hydrate, 4-2-hydroxypropan-2-yl-1-methylcyclohexanol hydrate, terpin hydrate usp, terpin hydrate cis-form, cyclohexanemethanol, 4-hydroxy-alpha,alpha,4-trimethyl-, monohydrate PubChem CID: 17141 IUPAC Name: 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol;hydrate SMILES: CC1(CCC(CC1)C(C)(C)O)O.O

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