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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

(+)-alpha-Pinene, 98%

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 IUPAC Name: (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene 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
IUPAC Name (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
InChI Key GRWFGVWFFZKLTI-RKDXNWHRSA-N
Molecular Formula C10H16
3

(S)-(+)-Carvone, 96%

CAS: 2244-16-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00062997 InChI Key: ULDHMXUKGWMISQ-VIFPVBQESA-N Synonym: 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

PubChem CID 16724
CAS 2244-16-8
Molecular Weight (g/mol) 150.221
ChEBI CHEBI:15399
MDL Number MFCD00062997
SMILES CC1=CCC(CC1=O)C(=C)C
Synonym 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
IUPAC Name (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI Key ULDHMXUKGWMISQ-VIFPVBQESA-N
Molecular Formula C10H14O
4

(+/-)-Camphorquinone, 99%

CAS: 10373-78-1 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00064160 InChI Key: VNQXSTWCDUXYEZ-UHFFFAOYSA-N Synonym: camphorquinone,dl-camphorquinone,camphoroquinone,2,3-bornanedione,camphor quinone,camphoquinone,1,7,7-trimethylbicyclo 2.2.1 heptane-2,3-dione,bornane-2,3-dione,bicyclo 2.2.1 heptane-2,3-dione, 1,7,7-trimethyl,+/--camphorquinone PubChem CID: 25208 ChEBI: CHEBI:34607 IUPAC Name: 4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione SMILES: CC1(C2CCC1(C(=O)C2=O)C)C

PubChem CID 25208
CAS 10373-78-1
Molecular Weight (g/mol) 166.22
ChEBI CHEBI:34607
MDL Number MFCD00064160
SMILES CC1(C2CCC1(C(=O)C2=O)C)C
Synonym camphorquinone,dl-camphorquinone,camphoroquinone,2,3-bornanedione,camphor quinone,camphoquinone,1,7,7-trimethylbicyclo 2.2.1 heptane-2,3-dione,bornane-2,3-dione,bicyclo 2.2.1 heptane-2,3-dione, 1,7,7-trimethyl,+/--camphorquinone
IUPAC Name 4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
InChI Key VNQXSTWCDUXYEZ-UHFFFAOYSA-N
Molecular Formula C10H14O2
5

Menthone, mixture of isomers, 98%

CAS: 10458-14-7 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00062998 InChI Key: NFLGAXVYCFJBMK-UHFFFAOYSA-N Synonym: isomenthone,p-menthan-3-one,2-isopropyl-5-methylcyclohexanone,menthone,cyclohexanone, 5-methyl-2-1-methylethyl,5-methyl-2-1-methylethyl cyclohexanone,p-menthanone,2-isopropyl-5-methyl-cyclohexanone,p-menthan-3-one, dl,5-methyl-2-isopropyl cyclohexanone PubChem CID: 6986 ChEBI: CHEBI:36742 IUPAC Name: 5-methyl-2-propan-2-ylcyclohexan-1-one SMILES: CC1CCC(C(=O)C1)C(C)C

PubChem CID 6986
CAS 10458-14-7
Molecular Weight (g/mol) 154.253
ChEBI CHEBI:36742
MDL Number MFCD00062998
SMILES CC1CCC(C(=O)C1)C(C)C
Synonym isomenthone,p-menthan-3-one,2-isopropyl-5-methylcyclohexanone,menthone,cyclohexanone, 5-methyl-2-1-methylethyl,5-methyl-2-1-methylethyl cyclohexanone,p-menthanone,2-isopropyl-5-methyl-cyclohexanone,p-menthan-3-one, dl,5-methyl-2-isopropyl cyclohexanone
IUPAC Name 5-methyl-2-propan-2-ylcyclohexan-1-one
InChI Key NFLGAXVYCFJBMK-UHFFFAOYSA-N
Molecular Formula C10H18O
6

D(+)-Fenchone, 97%

CAS: 4695-62-9 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00070689 InChI Key: LHXDLQBQYFFVNW-XCBNKYQSSA-N Synonym: +-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one PubChem CID: 1201521 ChEBI: CHEBI:165 IUPAC Name: (1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC(C2)(C1=O)C)C

PubChem CID 1201521
CAS 4695-62-9
Molecular Weight (g/mol) 152.24
ChEBI CHEBI:165
MDL Number MFCD00070689
SMILES CC1(C2CCC(C2)(C1=O)C)C
Synonym +-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one
IUPAC Name (1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key LHXDLQBQYFFVNW-XCBNKYQSSA-N
Molecular Formula C10H16O
7

(S)-(-)-Limonene, 97%

CAS: 5989-54-8 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00001558 InChI Key: XMGQYMWWDOXHJM-SNVBAGLBSA-N Synonym: --limonene,l-limonene,s---limonene,s-limonene,--4s-limonene,--s-limonene,s-p-mentha-1,8-diene,unii-47maj1y2ne,4s-limonene,p-mentha-1,8-diene, s-- PubChem CID: 439250 ChEBI: CHEBI:15383 IUPAC Name: (4S)-1-methyl-4-prop-1-en-2-ylcyclohexene SMILES: CC1=CCC(CC1)C(=C)C

PubChem CID 439250
CAS 5989-54-8
Molecular Weight (g/mol) 136.238
ChEBI CHEBI:15383
MDL Number MFCD00001558
SMILES CC1=CCC(CC1)C(=C)C
Synonym --limonene,l-limonene,s---limonene,s-limonene,--4s-limonene,--s-limonene,s-p-mentha-1,8-diene,unii-47maj1y2ne,4s-limonene,p-mentha-1,8-diene, s--
IUPAC Name (4S)-1-methyl-4-prop-1-en-2-ylcyclohexene
InChI Key XMGQYMWWDOXHJM-SNVBAGLBSA-N
Molecular Formula C10H16
8

(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
9

Citronellic acid, 94%

CAS: 502-47-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00002728 InChI Key: GJWSUKYXUMVMGX-UHFFFAOYNA-N Synonym: citronellic acid,3,7-dimethyl-6-octenoic acid,rhodinolic acid,citronellate,rhodinic acid,6-octenoic acid, 3,7-dimethyl,fema no. 3142,citronellicacid,callitrol,acmc-20apjr PubChem CID: 10402 ChEBI: CHEBI:80507 IUPAC Name: 3,7-dimethyloct-6-enoic acid SMILES: CC(CCC=C(C)C)CC(O)=O

PubChem CID 10402
CAS 502-47-6
Molecular Weight (g/mol) 170.25
ChEBI CHEBI:80507
MDL Number MFCD00002728
SMILES CC(CCC=C(C)C)CC(O)=O
Synonym citronellic acid,3,7-dimethyl-6-octenoic acid,rhodinolic acid,citronellate,rhodinic acid,6-octenoic acid, 3,7-dimethyl,fema no. 3142,citronellicacid,callitrol,acmc-20apjr
IUPAC Name 3,7-dimethyloct-6-enoic acid
InChI Key GJWSUKYXUMVMGX-UHFFFAOYNA-N
Molecular Formula C10H18O2
10

(R)-(+)-Limonene, 96%

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 IUPAC Name: (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene 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
IUPAC Name (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
InChI Key XMGQYMWWDOXHJM-JTQLQIEISA-N
Molecular Formula C10H16
11

Dicyclopentanylmethyl acrylate

CAS: 93962-84-6 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 MDL Number: MFCD22380704 InChI Key: PMPNHSZLJPXGCD-UHFFFAOYSA-N Synonym: octahydro-4,7-methano-1h-indenyl methyl acrylate,acmc-20mslm,tricyclo 5.2.1.0 2 ,? decan-3-ylmethyl prop-2-enoate PubChem CID: 22051805 SMILES: C=CC(=O)OCC1CCC2C1C3CCC2C3

PubChem CID 22051805
CAS 93962-84-6
Molecular Weight (g/mol) 220.312
MDL Number MFCD22380704
SMILES C=CC(=O)OCC1CCC2C1C3CCC2C3
Synonym octahydro-4,7-methano-1h-indenyl methyl acrylate,acmc-20mslm,tricyclo 5.2.1.0 2 ,? decan-3-ylmethyl prop-2-enoate
InChI Key PMPNHSZLJPXGCD-UHFFFAOYSA-N
Molecular Formula C14H20O2
12

(-)-alpha-Pinene, 98%, cont. variable amounts of enantiomer

CAS: 7785-26-4 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00064145 InChI Key: GRWFGVWFFZKLTI-IUCAKERBSA-N Synonym: --alpha-pinene,1s,5s-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1s---alpha-pinene,unii-tzr3gm95pr,dl-alpha-pinene,alpha-pinene,-,1s,5s-alpha-pinene,tzr3gm95pr,1s,5s-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1s,5s PubChem CID: 440968 ChEBI: CHEBI:28660 IUPAC Name: (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene SMILES: CC1=CCC2CC1C2(C)C

PubChem CID 440968
CAS 7785-26-4
Molecular Weight (g/mol) 136.238
ChEBI CHEBI:28660
MDL Number MFCD00064145
SMILES CC1=CCC2CC1C2(C)C
Synonym --alpha-pinene,1s,5s-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1s---alpha-pinene,unii-tzr3gm95pr,dl-alpha-pinene,alpha-pinene,-,1s,5s-alpha-pinene,tzr3gm95pr,1s,5s-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1s,5s
IUPAC Name (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
InChI Key GRWFGVWFFZKLTI-IUCAKERBSA-N
Molecular Formula C10H16
13

alpha-Terpineol, 97+%

CAS: 98-55-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Synonym: 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

PubChem CID 17100
CAS 98-55-5
Molecular Weight (g/mol) 154.25
ChEBI CHEBI:22469
MDL Number MFCD00001557
SMILES CC1=CCC(CC1)C(C)(C)O
Synonym 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
IUPAC Name 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
InChI Key WUOACPNHFRMFPN-UHFFFAOYSA-N
Molecular Formula C10H18O
14

p-Cymene, 97%

CAS: 99-87-6 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00008893 InChI Key: HFPZCAJZSCWRBC-UHFFFAOYSA-N Synonym: 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

PubChem CID 7463
CAS 99-87-6
Molecular Weight (g/mol) 134.222
ChEBI CHEBI:28768
MDL Number MFCD00008893
SMILES CC1=CC=C(C=C1)C(C)C
Synonym p-cymene,4-isopropyltoluene,p-isopropyltoluene,dolcymene,p-cymol,paracymene,cymene,para-cymene,1-isopropyl-4-methylbenzene,camphogen
IUPAC Name 1-methyl-4-propan-2-ylbenzene
InChI Key HFPZCAJZSCWRBC-UHFFFAOYSA-N
Molecular Formula C10H14
15

D(+)-Camphor, 97%

CAS: 464-49-3 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00064149,MFCD00074738,MFCD00064149,MFCD00064149 InChI Key: DSSYKIVIOFKYAU-XVKPBYJWSA-N Synonym: +-camphor,d-camphor,1r-+-camphor,r-camphor,+-bornan-2-one,r-+-camphor,1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-one,1r,4r-camphor,camphor d,+-2-bornanone PubChem CID: 159055 ChEBI: CHEBI:15396 IUPAC Name: (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C)[C@H]2CC[C@@]1(C)C(=O)C2

PubChem CID 159055
CAS 464-49-3
Molecular Weight (g/mol) 152.24
ChEBI CHEBI:15396
MDL Number MFCD00064149,MFCD00074738,MFCD00064149,MFCD00064149
SMILES CC1(C)[C@H]2CC[C@@]1(C)C(=O)C2
Synonym +-camphor,d-camphor,1r-+-camphor,r-camphor,+-bornan-2-one,r-+-camphor,1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-one,1r,4r-camphor,camphor d,+-2-bornanone
IUPAC Name (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key DSSYKIVIOFKYAU-XVKPBYJWSA-N
Molecular Formula C10H16O