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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

(-)-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
4

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.

5

DL-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
6

(+)-Limonene, 96%, unstabilized

CAS: 5989-27-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00062991 InChI Key: XMGQYMWWDOXHJM-JTQLQIEISA-N Synonym: d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene PubChem CID: 440917 ChEBI: CHEBI:15382 SMILES: CC(=C)[C@@H]1CCC(C)=CC1

PubChem CID 440917
CAS 5989-27-5
Molecular Weight (g/mol) 136.24
ChEBI CHEBI:15382
MDL Number MFCD00062991
SMILES CC(=C)[C@@H]1CCC(C)=CC1
Synonym d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene
InChI Key XMGQYMWWDOXHJM-JTQLQIEISA-N
Molecular Formula C10H16
7

L(-)-Fenchone, 98+%

CAS: 7787-20-4 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00151104 InChI Key: LHXDLQBQYFFVNW-GMSGAONNSA-N Synonym: 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

PubChem CID 3034206
CAS 7787-20-4
Molecular Weight (g/mol) 152.24
MDL Number MFCD00151104
SMILES CC1(C2CCC(C2)(C1=O)C)C
Synonym 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
IUPAC Name (1R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key LHXDLQBQYFFVNW-GMSGAONNSA-N
Molecular Formula C10H16O
8

Norcamphor, 99%

CAS: 497-38-1 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.16 MDL Number: MFCD00074823 InChI Key: KPMKEVXVVHNIEY-UHFFFAOYSA-N Synonym: norcamphor,2-norbornanone,bicyclo 2.2.1 heptan-2-one,norcampher,2-oxonorbornane,norbornan-2-one,2,5-methanocyclohexanone,8,9,10-trinorbornan-2-one,bicyclo 2.2.1 heptan-3-one PubChem CID: 10345 IUPAC Name: bicyclo[2.2.1]heptan-3-one SMILES: C1CC2CC1CC2=O

PubChem CID 10345
CAS 497-38-1
Molecular Weight (g/mol) 110.16
MDL Number MFCD00074823
SMILES C1CC2CC1CC2=O
Synonym norcamphor,2-norbornanone,bicyclo 2.2.1 heptan-2-one,norcampher,2-oxonorbornane,norbornan-2-one,2,5-methanocyclohexanone,8,9,10-trinorbornan-2-one,bicyclo 2.2.1 heptan-3-one
IUPAC Name bicyclo[2.2.1]heptan-3-one
InChI Key KPMKEVXVVHNIEY-UHFFFAOYSA-N
Molecular Formula C7H10O
9

(1R)-(+)-alpha-Pinene, 98%, 80% ee

CAS: 7785-70-8 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001346 InChI Key: GRWFGVWFFZKLTI-RKDXNWHRSA-N Synonym: +-alpha-pinene,1r,5r-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1r-+-alpha-pinene,1r,5r-alpha-pinene,unii-h6cm4twh1w,+-pinene,h6cm4twh1w,1r,5r-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1r,5r,+-pin-2 3-ene PubChem CID: 82227 ChEBI: CHEBI:28261 SMILES: CC1=CC[C@@H]2C[C@H]1C2(C)C

PubChem CID 82227
CAS 7785-70-8
Molecular Weight (g/mol) 136.24
ChEBI CHEBI:28261
MDL Number MFCD00001346
SMILES CC1=CC[C@@H]2C[C@H]1C2(C)C
Synonym +-alpha-pinene,1r,5r-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1r-+-alpha-pinene,1r,5r-alpha-pinene,unii-h6cm4twh1w,+-pinene,h6cm4twh1w,1r,5r-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1r,5r,+-pin-2 3-ene
InChI Key GRWFGVWFFZKLTI-RKDXNWHRSA-N
Molecular Formula C10H16
10

trans-(+)-Chrysanthemic acid, 99+%

CAS: 4638-92-0 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.23 MDL Number: MFCD01941572 InChI Key: XLOPRKKSAJMMEW-JGVFFNPUSA-N Synonym: --trans-chrysanthemic acid,1s,3s-2,2-dimethyl-3-2-methylprop-1-en-1-yl cyclopropanecarboxylic acid,chrysanthemic acid l-trans,l-trans-chrysanthemic acid,1s-trans-2,2-dimethyl-3-2-methyl-1-propenyl cyclopropanecarboxylic acid,1s-trans-2,2-dimethyl-3-2-methylprop-1-enyl cyclopropanecarboxylic acid,--trans-chrysanthemumsaeure,cyclopropanecarboxylic acid, 2,2-dimethyl-3-2-methylpropenyl-, 1s-trans,4-09-00-00169 beilstein handbook reference,chrysanthemic acid dl-trans-form PubChem CID: 33607 ChEBI: CHEBI:39102 IUPAC Name: (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid SMILES: CC(=CC1C(C1(C)C)C(=O)O)C

PubChem CID 33607
CAS 4638-92-0
Molecular Weight (g/mol) 168.23
ChEBI CHEBI:39102
MDL Number MFCD01941572
SMILES CC(=CC1C(C1(C)C)C(=O)O)C
Synonym --trans-chrysanthemic acid,1s,3s-2,2-dimethyl-3-2-methylprop-1-en-1-yl cyclopropanecarboxylic acid,chrysanthemic acid l-trans,l-trans-chrysanthemic acid,1s-trans-2,2-dimethyl-3-2-methyl-1-propenyl cyclopropanecarboxylic acid,1s-trans-2,2-dimethyl-3-2-methylprop-1-enyl cyclopropanecarboxylic acid,--trans-chrysanthemumsaeure,cyclopropanecarboxylic acid, 2,2-dimethyl-3-2-methylpropenyl-, 1s-trans,4-09-00-00169 beilstein handbook reference,chrysanthemic acid dl-trans-form
IUPAC Name (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
InChI Key XLOPRKKSAJMMEW-JGVFFNPUSA-N
Molecular Formula C10H16O2
11

alpha-Terpinene, 90%, tech.

CAS: 99-86-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001534 InChI Key: YHQGMYUVUMAZJR-UHFFFAOYSA-N Synonym: alpha-terpinene,p-mentha-1,3-diene,terpilene,1-isopropyl-4-methyl-1,3-cyclohexadiene,1,3-cyclohexadiene, 1-methyl-4-1-methylethyl,alpha-terpinen,1-methyl-4-1-methylethyl-1,3-cyclohexadiene,1-methyl-4-isopropylcyclohexadiene-1,3,.alpha.-terpinen,.alpha.-terpinene PubChem CID: 7462 ChEBI: CHEBI:10334 IUPAC Name: 1-methyl-4-propan-2-ylcyclohexa-1,3-diene SMILES: CC(C)C1=CC=C(C)CC1

PubChem CID 7462
CAS 99-86-5
Molecular Weight (g/mol) 136.24
ChEBI CHEBI:10334
MDL Number MFCD00001534
SMILES CC(C)C1=CC=C(C)CC1
Synonym alpha-terpinene,p-mentha-1,3-diene,terpilene,1-isopropyl-4-methyl-1,3-cyclohexadiene,1,3-cyclohexadiene, 1-methyl-4-1-methylethyl,alpha-terpinen,1-methyl-4-1-methylethyl-1,3-cyclohexadiene,1-methyl-4-isopropylcyclohexadiene-1,3,.alpha.-terpinen,.alpha.-terpinene
IUPAC Name 1-methyl-4-propan-2-ylcyclohexa-1,3-diene
InChI Key YHQGMYUVUMAZJR-UHFFFAOYSA-N
Molecular Formula C10H16
12

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

CAS: 18881-04-4 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00065444 InChI Key: WONIGEXYPVIKFS-YIZRAAEISA-N Synonym: 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

PubChem CID 87839
CAS 18881-04-4
Molecular Weight (g/mol) 152.24
MDL Number MFCD00065444
SMILES CC1=CC(C2CC1C2(C)C)O
Synonym 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
IUPAC Name (1S,2S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol
InChI Key WONIGEXYPVIKFS-YIZRAAEISA-N
Molecular Formula C10H16O
13

Citronellol, 95%

CAS: 106-22-9 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00002935 InChI Key: QMVPMAAFGQKVCJ-UHFFFAOYSA-N Synonym: 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

PubChem CID 8842
CAS 106-22-9
Molecular Weight (g/mol) 156.269
ChEBI CHEBI:50462
MDL Number MFCD00002935
SMILES CC(CCC=C(C)C)CCO
Synonym 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
IUPAC Name 3,7-dimethyloct-6-en-1-ol
InChI Key QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Molecular Formula C10H20O
14

Di-μ-chlorobis(p-cymene)chlororuthenium(II), 98%

CAS: 52462-29-0 Molecular Formula: C20H28Cl4Ru2 Molecular Weight (g/mol): 612.39 MDL Number: MFCD00064793 InChI Key: LAXRNWSASWOFOT-UHFFFAOYSA-J Synonym: dichloro p-cymene ruthenium ii dimer,di-mu-chloro-bis chloro p-cymene ruthenium ii,rucl2 p-cymene 2,ru p-cymene cl2 2,dichloro p-cymene ruthenium dimer,p-cymene ruthenium ii chloride dimer,dichloro-p-cymene ruthenium ii dimer PubChem CID: 10908223 IUPAC Name: dichlororuthenium;1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl

PubChem CID 10908223
CAS 52462-29-0
Molecular Weight (g/mol) 612.39
MDL Number MFCD00064793
SMILES CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl
Synonym dichloro p-cymene ruthenium ii dimer,di-mu-chloro-bis chloro p-cymene ruthenium ii,rucl2 p-cymene 2,ru p-cymene cl2 2,dichloro p-cymene ruthenium dimer,p-cymene ruthenium ii chloride dimer,dichloro-p-cymene ruthenium ii dimer
IUPAC Name dichlororuthenium;1-methyl-4-propan-2-ylbenzene
InChI Key LAXRNWSASWOFOT-UHFFFAOYSA-J
Molecular Formula C20H28Cl4Ru2
15

L(-)-Camphorsulfonic acid, 98%

CAS: 35963-20-3 Molecular Formula: C10H16O4S Molecular Weight (g/mol): 232.29 MDL Number: MFCD00150753,MFCD00064158 InChI Key: MIOPJNTWMNEORI-MHPPCMCBSA-N Synonym: l--camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,1r---camphor-10-sulfonic acid,unii-y6075i4fxe,camphorsulfonic acid,-,l---camphor-10-sulfonic acid,s-camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 hept-1-yl methanesulfonic acid,--camphor-10-sulfonic acid PubChem CID: 5771688 ChEBI: CHEBI:55401 SMILES: CC1(C)C2CC[C@]1(CS(O)(=O)=O)C(=O)C2

PubChem CID 5771688
CAS 35963-20-3
Molecular Weight (g/mol) 232.29
ChEBI CHEBI:55401
MDL Number MFCD00150753,MFCD00064158
SMILES CC1(C)C2CC[C@]1(CS(O)(=O)=O)C(=O)C2
Synonym l--camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,1r---camphor-10-sulfonic acid,unii-y6075i4fxe,camphorsulfonic acid,-,l---camphor-10-sulfonic acid,s-camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 hept-1-yl methanesulfonic acid,--camphor-10-sulfonic acid
InChI Key MIOPJNTWMNEORI-MHPPCMCBSA-N
Molecular Formula C10H16O4S