Monoterpenoids
(+)-3-Carene
CAS: 498-15-7 Formule moléculaire: C10H16 Poids moléculaire (g/mol): 136.24 Numéro MDL: MFCD00066417 Clé InChI: BQOFWKZOCNGFEC-BDAKNGLRSA-N Nom IUPAC: (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene SMILES: CC1=CC[C@@H]2[C@H](C1)C2(C)C
Carvacrol, Thermo Scientific Chemicals
CAS: 499-75-2 Formule moléculaire: C10H14O Poids moléculaire (g/mol): 150.22 Numéro MDL: MFCD00002236 Clé InChI: RECUKUPTGUEGMW-UHFFFAOYSA-N Nom IUPAC: 2-methyl-5-(propan-2-yl)phenol SMILES: CC(C)C1=CC=C(C)C(O)=C1
(+/-)-Camphor-10-sulfonic acid, 98%
CAS: 8-2-5872 Formule moléculaire: C10H16O4S Poids moléculaire (g/mol): 232.29 Numéro MDL: MFCD00074827 Clé InChI: MIOPJNTWMNEORI-UHFFFAOYNA-N Synonyme: reychler's acid,camphorsulfonic acid,d-camphorsulfonic acid,camphersulfosaeure,--10-camphorsulfonic acid,2-oxobornane-10-sulphonic acid,d-10-camphorsulfonic acid,7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,l-camphor-10-sulfonic acid,+-10-camphorsulfonic acid CID PubChem: 18462 ChEBI: CHEBI:55379 Nom IUPAC: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C
4-Isopropylbenzaldehyde, tech. 90%
CAS: 122-03-2 Formule moléculaire: C10H12O Poids moléculaire (g/mol): 148.21 Numéro MDL: MFCD00006953 Clé InChI: WTWBUQJHJGUZCY-UHFFFAOYSA-N Synonyme: 4-isopropylbenzaldehyde,cuminaldehyde,cuminic aldehyde,cumaldehyde,cuminal,p-cumic aldehyde,cumic aldehyde,cuminyl aldehyde,p-isopropylbenzaldehyde,benzaldehyde, 4-1-methylethyl CID PubChem: 326 ChEBI: CHEBI:28671 SMILES: CC(C)C1=CC=C(C=O)C=C1
2,4,6-Triisopropylbenzoyl chloride, 98+%
CAS: 57199-00-5 Formule moléculaire: C16H23ClO Poids moléculaire (g/mol): 266.809 Numéro MDL: MFCD00015030 Clé InChI: OSKNTKJPGKHDHV-UHFFFAOYSA-N Synonyme: 2,4,6-triisopropylbenzoyl chloride,benzoyl chloride, 2,4,6-tris 1-methylethyl,acmc-20aoev,2,4,6-triiso-propylbenzoyl chloride,2,4,6-tri propan-2-yl benzoyl chloride,benzoyl chloride,2,4,6-tris 1-methylethyl,2,4,6-tris 1-methylethyl benzoic acid chloride CID PubChem: 92697 Nom IUPAC: 2,4,6-tri(propan-2-yl)benzoyl chloride SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)Cl)C(C)C
4-Chloro-2-isopropyl-5-methylphenol, 99%
CAS: 89-68-9 Formule moléculaire: C10H13ClO Poids moléculaire (g/mol): 184.66 Numéro MDL: MFCD00002326 Clé InChI: KFZXVMNBUMVKLN-UHFFFAOYSA-N Synonyme: chlorothymol,6-chlorothymol,4-chloro-2-isopropyl-5-methylphenol,chlorthymol,4-chlorothymol,thymol, 6-chloro,phenol, 4-chloro-5-methyl-2-1-methylethyl,caswell no. 216,4-chloro-6-isopropyl-3-methylphenol,unii-lj25ti0cvt CID PubChem: 6982 Nom IUPAC: 4-chloro-5-methyl-2-propan-2-ylphenol SMILES: CC(C)C1=CC(Cl)=C(C)C=C1O
cis-4-Isopropylcyclohexanecarboxylic acid, 97%
CAS: 7084-93-7 Formule moléculaire: C10H18O2 Poids moléculaire (g/mol): 170.25 Numéro MDL: MFCD04004145,MFCD01734696,MFCD19706019 Clé InChI: YRQKWRUZZCBSIG-UHFFFAOYSA-N Synonyme: trans-4-isopropylcyclohexanecarboxylic acid,trans-4-isopropylcyclohexane carboxylic acid,4-isopropylcyclohexanecarboxylic acid,hexahydrocumic acid,isopropyl-cyclohexanecarboxylic acid,cis-4-isopropylcyclohexanecarboxylic acid,p-isopropylhexahydrobenzoic acid,cyclohexanecarboxylic acid, 4-1-methylethyl,cyclohexanecarboxylic acid, 4-isopropyl,cyclohexanecarboxylic acid, 4-1-methylethyl-, trans CID PubChem: 81526 Nom IUPAC: 4-propan-2-ylcyclohexane-1-carboxylic acid SMILES: CC(C)C1CCC(CC1)C(O)=O
Bis(pentamethylcyclopentadienyl)nickel
CAS: 74507-63-4 Formule moléculaire: C20H30Ni Poids moléculaire (g/mol): 329.153 Numéro MDL: MFCD00058704 Clé InChI: CHPLEWYRKUFKQP-UHFFFAOYSA-N Synonyme: Decamethylnickelocene CID PubChem: 24943158 Nom IUPAC: nickel(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.[Ni+2]
(±)-Camphor, 96%
CAS: 76-22-2 Formule moléculaire: C10H16O Poids moléculaire (g/mol): 152.24 Numéro MDL: MFCD00074738,MFCD00064149 Clé InChI: DSSYKIVIOFKYAU-UHFFFAOYNA-N Synonyme: 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 CID PubChem: 2537 ChEBI: CHEBI:36773 Nom IUPAC: 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C)C2CCC1(C)C(=O)C2
4,4'-Diisopropylbiphenyl, 97%
CAS: 18970-30-4 Formule moléculaire: C18H22 Poids moléculaire (g/mol): 238.37 Numéro MDL: MFCD00043533 Clé InChI: NUEUMFZLNOCRCQ-UHFFFAOYSA-N Synonyme: 4,4'-diisopropylbiphenyl,4,4'-diisopropyl-1,1'-biphenyl,4,4'-di-iso-propylbiphenyl,unii-wr8g413l6a,1,1'-biphenyl, 4,4'-bis 1-methylethyl,4,4-diisopropylbiphenyl,1,1'-biphenyl, 4,4'-bis-1-methylethyl,1-propan-2-yl-4-4-propan-2-ylphenyl benzene,biphenyl, 4,4'-diisopropyl,pubchem17483 CID PubChem: 519615 SMILES: CC(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)C
Geranic acid, 98% (sum of isomers)
CAS: 459-80-3 Formule moléculaire: C10H16O2 Poids moléculaire (g/mol): 168.24 Numéro MDL: MFCD00036493,MFCD20542837 Clé InChI: ZHYZQXUYZJNEHD-VQHVLOKHSA-N Synonyme: geranic acid,3,7-dimethylocta-2,6-dienoic acid,decaprenoic acid,trans-geranic acid,3,7-dimethyl-2,6-octadienoic acid,3,7-dimethyl-2e,6-octadienoic acid,neric acid,2e-3,7-dimethylocta-2,6-dienoic acid,e-3,7-dimethylocta-2,6-dienoic acid,nerolic acid CID PubChem: 5275520 ChEBI: CHEBI:67264 Nom IUPAC: (2E)-3,7-dimethylocta-2,6-dienoic acid SMILES: CC(C)=CCC\C(C)=C\C(O)=O
(1S)-(-)-Camphorsulfonylimine, 98+%
CAS: 60886-80-8 Formule moléculaire: C10H15NO2S Poids moléculaire (g/mol): 213.30 Numéro MDL: MFCD00013315,MFCD00064576 Clé InChI: ZAHOEBNYVSWBBW-UHFFFAOYNA-N Synonyme: 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 CID PubChem: 45925640 Nom IUPAC: 10,10-dimethyl-3λ⁶-thia-4-azatricyclo[5.2.1.0¹,⁵]dec-4-ene-3,3-dione SMILES: CC1(C)C2CCC11CS(=O)(=O)N=C1C2
p-Mentha-8-thiol-3-one, cis + trans, 97%
CAS: 38462-22-5 Formule moléculaire: C10H18OS Poids moléculaire (g/mol): 186.313 Numéro MDL: MFCD00012393 Clé InChI: RVOKNSFEAOYULQ-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 61982 Nom IUPAC: 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one SMILES: CC1CCC(C(=O)C1)C(C)(C)S
2-Fluoro-alpha-methyl-4-biphenylacetic acid, 99%
CAS: 5104-49-4 Formule moléculaire: C15H13FO2 Poids moléculaire (g/mol): 244.27 Numéro MDL: MFCD00079303 Clé InChI: SYTBZMRGLBWNTM-UHFFFAOYNA-N Synonyme: flurbiprofen,ansaid,froben,antadys,cebutid,flurofen,anside,flurbiprofene,flurbiprofeno,flurbiprofenum CID PubChem: 3394 ChEBI: CHEBI:5130 SMILES: CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1
(-)-Borneol, 97+%
CAS: 464-45-9 Formule moléculaire: C10H18O Poids moléculaire (g/mol): 154.25 Numéro MDL: MFCD00003759,MFCD00066426,MFCD00066427 Clé InChI: DTGKSKDOIYIVQL-NQMVMOMDSA-N Synonyme: --borneol,borneol,l-borneol,1s,2r,4s-1,7,7-trimethylbicyclo 2.2.1 heptan-2-ol,linderol,1s-endo---borneol,borneo camphor,bornyl alcohol,sumatra camphor,dl-borneol CID PubChem: 1201518 ChEBI: CHEBI:15394 SMILES: CC1(C)[C@@H]2CC[C@]1(C)[C@H](O)C2