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Monoterpenoids

A diverse, modified class of terpenoids comprising two isoprene units and containing oxygen functionality or missing a methyl group; they have relevance to the pharmaceutical, cosmetic, agricultural, and food industries.
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Keyword Search:
1 – 15 of 291 results
1

(+)-3-Carene

CAS: 498-15-7 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00066417 InChI Key: BQOFWKZOCNGFEC-BDAKNGLRSA-N IUPAC Name: (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene SMILES: CC1=CC[C@@H]2[C@H](C1)C2(C)C

CAS 498-15-7
Molecular Weight (g/mol) 136.24
MDL Number MFCD00066417
SMILES CC1=CC[C@@H]2[C@H](C1)C2(C)C
IUPAC Name (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
InChI Key BQOFWKZOCNGFEC-BDAKNGLRSA-N
Molecular Formula C10H16
2

Carvacrol, Thermo Scientific Chemicals

CAS: 499-75-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002236 InChI Key: RECUKUPTGUEGMW-UHFFFAOYSA-N IUPAC Name: 2-methyl-5-(propan-2-yl)phenol SMILES: CC(C)C1=CC=C(C)C(O)=C1

CAS 499-75-2
Molecular Weight (g/mol) 150.22
MDL Number MFCD00002236
SMILES CC(C)C1=CC=C(C)C(O)=C1
IUPAC Name 2-methyl-5-(propan-2-yl)phenol
InChI Key RECUKUPTGUEGMW-UHFFFAOYSA-N
Molecular Formula C10H14O
3

(+/-)-Camphor-10-sulfonic acid, 98%

CAS: 8-2-5872 Molecular Formula: C10H16O4S Molecular Weight (g/mol): 232.29 MDL Number: MFCD00074827 InChI Key: MIOPJNTWMNEORI-UHFFFAOYNA-N Synonym: 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 PubChem CID: 18462 ChEBI: CHEBI:55379 IUPAC Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C

PubChem CID 18462
CAS 8-2-5872
Molecular Weight (g/mol) 232.29
ChEBI CHEBI:55379
MDL Number MFCD00074827
SMILES CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C
Synonym 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
IUPAC Name (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
InChI Key MIOPJNTWMNEORI-UHFFFAOYNA-N
Molecular Formula C10H16O4S
4

4-Isopropylbenzaldehyde, tech. 90%

CAS: 122-03-2 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00006953 InChI Key: WTWBUQJHJGUZCY-UHFFFAOYSA-N Synonym: 4-isopropylbenzaldehyde,cuminaldehyde,cuminic aldehyde,cumaldehyde,cuminal,p-cumic aldehyde,cumic aldehyde,cuminyl aldehyde,p-isopropylbenzaldehyde,benzaldehyde, 4-1-methylethyl PubChem CID: 326 ChEBI: CHEBI:28671 SMILES: CC(C)C1=CC=C(C=O)C=C1

PubChem CID 326
CAS 122-03-2
Molecular Weight (g/mol) 148.21
ChEBI CHEBI:28671
MDL Number MFCD00006953
SMILES CC(C)C1=CC=C(C=O)C=C1
Synonym 4-isopropylbenzaldehyde,cuminaldehyde,cuminic aldehyde,cumaldehyde,cuminal,p-cumic aldehyde,cumic aldehyde,cuminyl aldehyde,p-isopropylbenzaldehyde,benzaldehyde, 4-1-methylethyl
InChI Key WTWBUQJHJGUZCY-UHFFFAOYSA-N
Molecular Formula C10H12O
5

2,4,6-Triisopropylbenzoyl chloride, 98+%

CAS: 57199-00-5 Molecular Formula: C16H23ClO Molecular Weight (g/mol): 266.809 MDL Number: MFCD00015030 InChI Key: OSKNTKJPGKHDHV-UHFFFAOYSA-N Synonym: 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 PubChem CID: 92697 IUPAC Name: 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

PubChem CID 92697
CAS 57199-00-5
Molecular Weight (g/mol) 266.809
MDL Number MFCD00015030
SMILES CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)Cl)C(C)C
Synonym 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
IUPAC Name 2,4,6-tri(propan-2-yl)benzoyl chloride
InChI Key OSKNTKJPGKHDHV-UHFFFAOYSA-N
Molecular Formula C16H23ClO
6

4-Chloro-2-isopropyl-5-methylphenol, 99%

CAS: 89-68-9 Molecular Formula: C10H13ClO Molecular Weight (g/mol): 184.66 MDL Number: MFCD00002326 InChI Key: KFZXVMNBUMVKLN-UHFFFAOYSA-N Synonym: 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 PubChem CID: 6982 IUPAC Name: 4-chloro-5-methyl-2-propan-2-ylphenol SMILES: CC(C)C1=CC(Cl)=C(C)C=C1O

PubChem CID 6982
CAS 89-68-9
Molecular Weight (g/mol) 184.66
MDL Number MFCD00002326
SMILES CC(C)C1=CC(Cl)=C(C)C=C1O
Synonym 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
IUPAC Name 4-chloro-5-methyl-2-propan-2-ylphenol
InChI Key KFZXVMNBUMVKLN-UHFFFAOYSA-N
Molecular Formula C10H13ClO
7

cis-4-Isopropylcyclohexanecarboxylic acid, 97%

CAS: 7084-93-7 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD04004145,MFCD01734696,MFCD19706019 InChI Key: YRQKWRUZZCBSIG-UHFFFAOYSA-N Synonym: 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 PubChem CID: 81526 IUPAC Name: 4-propan-2-ylcyclohexane-1-carboxylic acid SMILES: CC(C)C1CCC(CC1)C(O)=O

PubChem CID 81526
CAS 7084-93-7
Molecular Weight (g/mol) 170.25
MDL Number MFCD04004145,MFCD01734696,MFCD19706019
SMILES CC(C)C1CCC(CC1)C(O)=O
Synonym 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
IUPAC Name 4-propan-2-ylcyclohexane-1-carboxylic acid
InChI Key YRQKWRUZZCBSIG-UHFFFAOYSA-N
Molecular Formula C10H18O2
8

Bis(pentamethylcyclopentadienyl)nickel

CAS: 74507-63-4 Molecular Formula: C20H30Ni Molecular Weight (g/mol): 329.153 MDL Number: MFCD00058704 InChI Key: CHPLEWYRKUFKQP-UHFFFAOYSA-N Synonym: Decamethylnickelocene PubChem CID: 24943158 IUPAC Name: 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]

PubChem CID 24943158
CAS 74507-63-4
Molecular Weight (g/mol) 329.153
MDL Number MFCD00058704
SMILES CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Ni+2]
Synonym Decamethylnickelocene
IUPAC Name nickel(2+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
InChI Key CHPLEWYRKUFKQP-UHFFFAOYSA-N
Molecular Formula C20H30Ni
9

(±)-Camphor, 96%

CAS: 76-22-2 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00074738,MFCD00064149 InChI Key: DSSYKIVIOFKYAU-UHFFFAOYNA-N Synonym: 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(C)C2CCC1(C)C(=O)C2

PubChem CID 2537
CAS 76-22-2
Molecular Weight (g/mol) 152.24
ChEBI CHEBI:36773
MDL Number MFCD00074738,MFCD00064149
SMILES CC1(C)C2CCC1(C)C(=O)C2
Synonym 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
IUPAC Name 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key DSSYKIVIOFKYAU-UHFFFAOYNA-N
Molecular Formula C10H16O
10

4,4'-Diisopropylbiphenyl, 97%

CAS: 18970-30-4 Molecular Formula: C18H22 Molecular Weight (g/mol): 238.37 MDL Number: MFCD00043533 InChI Key: NUEUMFZLNOCRCQ-UHFFFAOYSA-N Synonym: 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 PubChem CID: 519615 SMILES: CC(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)C

PubChem CID 519615
CAS 18970-30-4
Molecular Weight (g/mol) 238.37
MDL Number MFCD00043533
SMILES CC(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)C
Synonym 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
InChI Key NUEUMFZLNOCRCQ-UHFFFAOYSA-N
Molecular Formula C18H22
11

Geranic acid, 98% (sum of isomers)

CAS: 459-80-3 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00036493,MFCD20542837 InChI Key: ZHYZQXUYZJNEHD-VQHVLOKHSA-N Synonym: 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 PubChem CID: 5275520 ChEBI: CHEBI:67264 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dienoic acid SMILES: CC(C)=CCC\C(C)=C\C(O)=O

PubChem CID 5275520
CAS 459-80-3
Molecular Weight (g/mol) 168.24
ChEBI CHEBI:67264
MDL Number MFCD00036493,MFCD20542837
SMILES CC(C)=CCC\C(C)=C\C(O)=O
Synonym 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
IUPAC Name (2E)-3,7-dimethylocta-2,6-dienoic acid
InChI Key ZHYZQXUYZJNEHD-VQHVLOKHSA-N
Molecular Formula C10H16O2
12

(1S)-(-)-Camphorsulfonylimine, 98+%

CAS: 60886-80-8 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.30 MDL Number: MFCD00013315,MFCD00064576 InChI Key: ZAHOEBNYVSWBBW-UHFFFAOYNA-N Synonym: 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 IUPAC Name: 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

PubChem CID 45925640
CAS 60886-80-8
Molecular Weight (g/mol) 213.30
MDL Number MFCD00013315,MFCD00064576
SMILES CC1(C)C2CCC11CS(=O)(=O)N=C1C2
Synonym 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
IUPAC Name 10,10-dimethyl-3λ⁶-thia-4-azatricyclo[5.2.1.0¹,⁵]dec-4-ene-3,3-dione
InChI Key ZAHOEBNYVSWBBW-UHFFFAOYNA-N
Molecular Formula C10H15NO2S
13

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

CAS: 38462-22-5 Molecular Formula: C10H18OS Molecular Weight (g/mol): 186.313 MDL Number: MFCD00012393 InChI Key: RVOKNSFEAOYULQ-UHFFFAOYSA-N Synonym: 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

PubChem CID 61982
CAS 38462-22-5
Molecular Weight (g/mol) 186.313
MDL Number MFCD00012393
SMILES CC1CCC(C(=O)C1)C(C)(C)S
Synonym 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
IUPAC Name 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
InChI Key RVOKNSFEAOYULQ-UHFFFAOYSA-N
Molecular Formula C10H18OS
14

2-Fluoro-alpha-methyl-4-biphenylacetic acid, 99%

CAS: 5104-49-4 Molecular Formula: C15H13FO2 Molecular Weight (g/mol): 244.27 MDL Number: MFCD00079303 InChI Key: SYTBZMRGLBWNTM-UHFFFAOYNA-N Synonym: flurbiprofen,ansaid,froben,antadys,cebutid,flurofen,anside,flurbiprofene,flurbiprofeno,flurbiprofenum PubChem CID: 3394 ChEBI: CHEBI:5130 SMILES: CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1

PubChem CID 3394
CAS 5104-49-4
Molecular Weight (g/mol) 244.27
ChEBI CHEBI:5130
MDL Number MFCD00079303
SMILES CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1
Synonym flurbiprofen,ansaid,froben,antadys,cebutid,flurofen,anside,flurbiprofene,flurbiprofeno,flurbiprofenum
InChI Key SYTBZMRGLBWNTM-UHFFFAOYNA-N
Molecular Formula C15H13FO2
15

(-)-Borneol, 97+%

CAS: 464-45-9 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00003759,MFCD00066426,MFCD00066427 InChI Key: DTGKSKDOIYIVQL-NQMVMOMDSA-N Synonym: --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 PubChem CID: 1201518 ChEBI: CHEBI:15394 SMILES: CC1(C)[C@@H]2CC[C@]1(C)[C@H](O)C2

PubChem CID 1201518
CAS 464-45-9
Molecular Weight (g/mol) 154.25
ChEBI CHEBI:15394
MDL Number MFCD00003759,MFCD00066426,MFCD00066427
SMILES CC1(C)[C@@H]2CC[C@]1(C)[C@H](O)C2
Synonym --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
InChI Key DTGKSKDOIYIVQL-NQMVMOMDSA-N
Molecular Formula C10H18O