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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

TraceCERT™ Verbenon, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

4

(-)-Menthone, Terpene Analytical Standard, MilliporeSigma™ Supelco™

Boiling Point 207°C to 210°C (literature)
Linear Formula C10H18O
Physical Form Neat
Grade Analytical Standard
Density 0.893 g/mL (at 20°C (literature))
Vapor Pressure 0.5 mmHg (20°C)
Optical Rotation [α]20/D -28 ±2°, Neat
Percent Purity ≥99% (Sum of Enantiomers, GC)
CAS 14073-97-3
MDL Number MFCD00001634
Flash Point 74°C
Health Hazard 1 H315 - H317
Refractive Index n20/D 1.45 (literature); n20/D 1.451
Synonym (1 R,4 S)-p-Menthan-3-one; (2 S,5 R)-2-Isopropyl-5-methylcyclohexanone
Recommended Storage 2°C to 8°C
Shelf Life Limited shelf life, expiry date on the label
Molecular Formula C10H18O
Formula Weight 154.25
5

(+)-Dihydrocarvone, 98%, mixture of isomers

CAS: 5524-05-0 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00001636 InChI Key: AZOCECCLWFDTAP-RKDXNWHRSA-N Synonym: +-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

PubChem CID 22227
CAS 5524-05-0
Molecular Weight (g/mol) 152.24
ChEBI CHEBI:154
MDL Number MFCD00001636
SMILES CC1CCC(CC1=O)C(=C)C
Synonym +-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
IUPAC Name (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
InChI Key AZOCECCLWFDTAP-RKDXNWHRSA-N
Molecular Formula C10H16O
6

(1S)-(-)-Verbenone, 94%

CAS: 1196-01-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001343 InChI Key: DCSCXTJOXBUFGB-JGVFFNPUSA-N Synonym: levoverbenone,--verbenone,l-verbenone,1s---verbenone,--2-pinen-4-one,verbenone,unii-2xp0j7754u,1s,5s-4,6,6-trimethylbicyclo 3.1.1 hept-3-en-2-one,verbenone, l,bicyclo 3.1.1 hept-3-en-2-one, 4,6,6-trimethyl-, 1s,5s PubChem CID: 92874 ChEBI: CHEBI:78316 IUPAC Name: (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one SMILES: CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C

PubChem CID 92874
CAS 1196-01-6
Molecular Weight (g/mol) 150.22
ChEBI CHEBI:78316
MDL Number MFCD00001343
SMILES CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
Synonym levoverbenone,--verbenone,l-verbenone,1s---verbenone,--2-pinen-4-one,verbenone,unii-2xp0j7754u,1s,5s-4,6,6-trimethylbicyclo 3.1.1 hept-3-en-2-one,verbenone, l,bicyclo 3.1.1 hept-3-en-2-one, 4,6,6-trimethyl-, 1s,5s
IUPAC Name (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one
InChI Key DCSCXTJOXBUFGB-JGVFFNPUSA-N
Molecular Formula C10H14O
7

Isobornyl methacrylate, 85-90%, stabilized

CAS: 7534-94-3 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00081070 InChI Key: IAXXETNIOYFMLW-UHFFFAOYNA-N Synonym: ibma,isobornyl methacrylate,methacrylic acid isobornyl ester,iso-bornyl methacrylate,isobornyl methacrylate, technical grade,isobornyl methacrylate, stabilized with mehq,exo-1,7,7-trimethylbicyclo 2.2.1 hept-,2-yl methacrylate,1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-yl 2-methylprop-2-enoate PubChem CID: 71311141 IUPAC Name: [(1R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC1CC2CCC1(C)C2(C)C

PubChem CID 71311141
CAS 7534-94-3
Molecular Weight (g/mol) 222.33
MDL Number MFCD00081070
SMILES CC(=C)C(=O)OC1CC2CCC1(C)C2(C)C
Synonym ibma,isobornyl methacrylate,methacrylic acid isobornyl ester,iso-bornyl methacrylate,isobornyl methacrylate, technical grade,isobornyl methacrylate, stabilized with mehq,exo-1,7,7-trimethylbicyclo 2.2.1 hept-,2-yl methacrylate,1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-yl 2-methylprop-2-enoate
IUPAC Name [(1R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
InChI Key IAXXETNIOYFMLW-UHFFFAOYNA-N
Molecular Formula C14H22O2
8

2-Methyl-5-isopropylaniline, Thermo Scientific Chemicals

CAS: 2051-53-8 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00044503 InChI Key: YKWALWNGEXPARQ-UHFFFAOYSA-N IUPAC Name: 2-methyl-5-(propan-2-yl)aniline SMILES: CC(C)C1=CC=C(C)C(N)=C1

CAS 2051-53-8
Molecular Weight (g/mol) 149.24
MDL Number MFCD00044503
SMILES CC(C)C1=CC=C(C)C(N)=C1
IUPAC Name 2-methyl-5-(propan-2-yl)aniline
InChI Key YKWALWNGEXPARQ-UHFFFAOYSA-N
Molecular Formula C10H15N
9

Linalool, 97%

CAS: 78-70-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00008906 InChI Key: CDOSHBSSFJOMGT-UHFFFAOYSA-N Synonym: linalool,linalol,3,7-dimethyl-1,6-octadien-3-ol,allo-ocimenol,beta-linalool,linalyl alcohol,1,6-octadien-3-ol, 3,7-dimethyl,+--linalool,p-linalool,linanool PubChem CID: 6549 ChEBI: CHEBI:17580 IUPAC Name: 3,7-dimethylocta-1,6-dien-3-ol SMILES: CC(=CCCC(C)(C=C)O)C

PubChem CID 6549
CAS 78-70-6
Molecular Weight (g/mol) 154.25
ChEBI CHEBI:17580
MDL Number MFCD00008906
SMILES CC(=CCCC(C)(C=C)O)C
Synonym linalool,linalol,3,7-dimethyl-1,6-octadien-3-ol,allo-ocimenol,beta-linalool,linalyl alcohol,1,6-octadien-3-ol, 3,7-dimethyl,+--linalool,p-linalool,linanool
IUPAC Name 3,7-dimethylocta-1,6-dien-3-ol
InChI Key CDOSHBSSFJOMGT-UHFFFAOYSA-N
Molecular Formula C10H18O
10

2,6-Di-tert-butyl-p-benzoquinone, 98%

CAS: 719-22-2 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.31 MDL Number: MFCD00001601 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

PubChem CID 12867
CAS 719-22-2
Molecular Weight (g/mol) 220.31
MDL Number MFCD00001601
SMILES CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
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
IUPAC Name 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione
InChI Key RDQSIADLBQFVMY-UHFFFAOYSA-N
Molecular Formula C14H20O2
11

2,6-Di-tert-butyl-p-benzoquinone, 98%

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

PubChem CID 12867
CAS 719-22-2
Molecular Weight (g/mol) 220.31
SMILES CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
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
IUPAC Name 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione
InChI Key RDQSIADLBQFVMY-UHFFFAOYSA-N
Molecular Formula C14H20O2
12

DL-10-Camphorsulfonic 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
13

Thermo Scientific Chemicals Thymolphthalein, ACS reagent

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.53 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

PubChem CID 31316
CAS 125-20-2
Molecular Weight (g/mol) 430.53
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
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
IUPAC Name 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
InChI Key LDKDGDIWEUUXSH-UHFFFAOYSA-N
Molecular Formula C28H30O4
14

(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate, 98%

CAS: 1517-82-4 Molecular Formula: C17H26O2S Molecular Weight (g/mol): 294.46 InChI Key: NQICGNSARVCSGJ-DSRNLFJRSA-N Synonym: 1r,2s,5r---menthyl s-p-toluenesulfinate,4-methylbenzenesulfinic acid 1r,5r-2-isopropyl-5-methylcyclohexyl ester PubChem CID: 101348873 IUPAC Name: [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate SMILES: CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C

PubChem CID 101348873
CAS 1517-82-4
Molecular Weight (g/mol) 294.46
SMILES CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C
Synonym 1r,2s,5r---menthyl s-p-toluenesulfinate,4-methylbenzenesulfinic acid 1r,5r-2-isopropyl-5-methylcyclohexyl ester
IUPAC Name [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate
InChI Key NQICGNSARVCSGJ-DSRNLFJRSA-N
Molecular Formula C17H26O2S
15

1,4-Cineole, 85%

CAS: 470-67-7 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 InChI Key: RFFOTVCVTJUTAD-UHFFFAOYSA-N Synonym: 1,4-cineole,isocineole,1,4-cineol,1,4-epoxy-p-menthane,isocineple,1,4-cineole natural,p-menthane, 1,4-epoxy,unii-b55jtu839b,fema no. 3658 PubChem CID: 10106 ChEBI: CHEBI:80788 IUPAC Name: 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane SMILES: CC(C)C12CCC(O1)(CC2)C

PubChem CID 10106
CAS 470-67-7
Molecular Weight (g/mol) 154.25
ChEBI CHEBI:80788
SMILES CC(C)C12CCC(O1)(CC2)C
Synonym 1,4-cineole,isocineole,1,4-cineol,1,4-epoxy-p-menthane,isocineple,1,4-cineole natural,p-menthane, 1,4-epoxy,unii-b55jtu839b,fema no. 3658
IUPAC Name 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
InChI Key RFFOTVCVTJUTAD-UHFFFAOYSA-N
Molecular Formula C10H18O