Monoterpenoids

Monoterpenoids
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Thymol, 99%, Thermo Scientific Chemicals
CAS: 89-83-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002309 InChI Key: MGSRCZKZVOBKFT-UHFFFAOYSA-N Synonym: thymol,2-isopropyl-5-methylphenol,5-methyl-2-isopropylphenol,thyme camphor,3-p-cymenol,6-isopropyl-m-cresol,thymic acid,isopropyl cresol,5-methyl-2-1-methylethyl phenol,6-isopropyl-3-methylphenol PubChem CID: 6989 ChEBI: CHEBI:27607 IUPAC Name: 5-methyl-2-propan-2-ylphenol SMILES: CC1=CC(=C(C=C1)C(C)C)O
PubChem CID | 6989 |
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CAS | 89-83-8 |
Molecular Weight (g/mol) | 150.22 |
ChEBI | CHEBI:27607 |
MDL Number | MFCD00002309 |
SMILES | CC1=CC(=C(C=C1)C(C)C)O |
Synonym | thymol,2-isopropyl-5-methylphenol,5-methyl-2-isopropylphenol,thyme camphor,3-p-cymenol,6-isopropyl-m-cresol,thymic acid,isopropyl cresol,5-methyl-2-1-methylethyl phenol,6-isopropyl-3-methylphenol |
IUPAC Name | 5-methyl-2-propan-2-ylphenol |
InChI Key | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
Molecular Formula | C10H14O |
(R)-(+)-Limonene, 96%, Thermo Scientific Chemicals
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 |
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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 |
D(+)-Carvone, 98%, synthetic, Thermo Scientific Chemicals
CAS: 2244-16-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 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 |
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CAS | 2244-16-8 |
Molecular Weight (g/mol) | 150.22 |
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 |
(1S)-(-)-α-Pinene, 98%, Thermo Scientific Chemicals
CAS: 7785-26-4 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 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 |
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CAS | 7785-26-4 |
Molecular Weight (g/mol) | 136.24 |
ChEBI | CHEBI:28660 |
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 |
Linalool, 97%, Thermo Scientific Chemicals
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 |
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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 |
(-)-Limonene, 96%, Thermo Scientific Chemicals
CAS: 5989-54-8 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 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 |
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CAS | 5989-54-8 |
Molecular Weight (g/mol) | 136.24 |
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 |
DL-Camphor, 96%, Thermo Scientific Chemicals
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 |
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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 |
alpha-Terpinene, 90+%, Thermo Scientific Chemicals
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 |
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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 |
(+)-Limonene, 96%, unstabilized, Thermo Scientific Chemicals
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 |
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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 |
L(-)-Borneol, 97%, Thermo Scientific Chemicals
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 IUPAC Name: (1S,3R,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol SMILES: CC1(C)[C@@H]2CC[C@]1(C)[C@H](O)C2
PubChem CID | 1201518 |
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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 |
IUPAC Name | (1S,3R,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol |
InChI Key | DTGKSKDOIYIVQL-NQMVMOMDSA-N |
Molecular Formula | C10H18O |
Geraniol, 99%, Thermo Scientific Chemicals
CAS: 106-24-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00002917 InChI Key: GLZPCOQZEFWAFX-JXMROGBWSA-N Synonym: geraniol,lemonol,geranyl alcohol,trans-geraniol,e-geraniol,e-nerol,trans-3,7-dimethyl-2,6-octadien-1-ol,e-3,7-dimethylocta-2,6-dien-1-ol,2e-3,7-dimethylocta-2,6-dien-1-ol,geraniol extra PubChem CID: 637566 ChEBI: CHEBI:17447 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol SMILES: CC(=CCCC(=CCO)C)C
PubChem CID | 637566 |
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CAS | 106-24-1 |
Molecular Weight (g/mol) | 154.25 |
ChEBI | CHEBI:17447 |
MDL Number | MFCD00002917 |
SMILES | CC(=CCCC(=CCO)C)C |
Synonym | geraniol,lemonol,geranyl alcohol,trans-geraniol,e-geraniol,e-nerol,trans-3,7-dimethyl-2,6-octadien-1-ol,e-3,7-dimethylocta-2,6-dien-1-ol,2e-3,7-dimethylocta-2,6-dien-1-ol,geraniol extra |
IUPAC Name | (2E)-3,7-dimethylocta-2,6-dien-1-ol |
InChI Key | GLZPCOQZEFWAFX-JXMROGBWSA-N |
Molecular Formula | C10H18O |
L-Menthol, 99%, Thermo Scientific Chemicals
CAS: 2216-51-5 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00062979 InChI Key: NOOLISFMXDJSKH-KXUCPTDWSA-N Synonym: l-menthol,--menthol,levomenthol,menthomenthol,l---menthol,hexahydrothymol,menthacamphor,peppermint camphor,1r,2s,5r-2-isopropyl-5-methylcyclohexanol,u.s.p. menthol PubChem CID: 16666 ChEBI: CHEBI:15409 IUPAC Name: (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol SMILES: CC1CCC(C(C1)O)C(C)C
PubChem CID | 16666 |
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CAS | 2216-51-5 |
Molecular Weight (g/mol) | 156.269 |
ChEBI | CHEBI:15409 |
MDL Number | MFCD00062979 |
SMILES | CC1CCC(C(C1)O)C(C)C |
Synonym | l-menthol,--menthol,levomenthol,menthomenthol,l---menthol,hexahydrothymol,menthacamphor,peppermint camphor,1r,2s,5r-2-isopropyl-5-methylcyclohexanol,u.s.p. menthol |
IUPAC Name | (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
InChI Key | NOOLISFMXDJSKH-KXUCPTDWSA-N |
Molecular Formula | C10H20O |
p-Cymene, 99+%, Thermo Scientific Chemicals
CAS: 99-87-6 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.22 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 |
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CAS | 99-87-6 |
Molecular Weight (g/mol) | 134.22 |
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 |
Norcamphor, 99%, Thermo Scientific Chemicals
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 |
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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 |
Menthofuran, 95%, Thermo Scientific Chemicals
CAS: 494-90-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00041851 InChI Key: YGWKXXYGDYYFJU-UHFFFAOYSA-N Synonym: menthofuran,menthofurane,3,9-epoxy-p-mentha-3,8-diene,benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl,p-mentha-3,8-diene, 3,9-epoxy,4,5,6,7-tetrahydro-3,6-dimethylbenzofuran,fema no. 3235,4,5,6,7-tetrahydro-3,6-dimethylcoumarone,r-menthofuran,3,6-dimethyl-4,5,6,7-tetrahydrobenzo 2,1-b furan PubChem CID: 329983 ChEBI: CHEBI:50542 IUPAC Name: 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran SMILES: CC1CCC2=C(C1)OC=C2C
PubChem CID | 329983 |
---|---|
CAS | 494-90-6 |
Molecular Weight (g/mol) | 150.221 |
ChEBI | CHEBI:50542 |
MDL Number | MFCD00041851 |
SMILES | CC1CCC2=C(C1)OC=C2C |
Synonym | menthofuran,menthofurane,3,9-epoxy-p-mentha-3,8-diene,benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl,p-mentha-3,8-diene, 3,9-epoxy,4,5,6,7-tetrahydro-3,6-dimethylbenzofuran,fema no. 3235,4,5,6,7-tetrahydro-3,6-dimethylcoumarone,r-menthofuran,3,6-dimethyl-4,5,6,7-tetrahydrobenzo 2,1-b furan |
IUPAC Name | 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran |
InChI Key | YGWKXXYGDYYFJU-UHFFFAOYSA-N |
Molecular Formula | C10H14O |