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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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1

Pulegone, 92%, pract.

CAS: 89-82-7 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00063000 InChI Key: NZGWDASTMWDZIW-QMMMGPOBSA-N Synonym: --pulegone,s---pulegone,pulegone,-,unii-hl7z89m60h,cyclohexanone, 5-methyl-2-1-methylethylidene-, s,s-p-menth-4 8-en-3-one,s-2-isopropylidene-5-methylcyclohexanone,5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one PubChem CID: 638012 ChEBI: CHEBI:81226 IUPAC Name: (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one SMILES: CC1CCC(=C(C)C)C(=O)C1

EDGE
PubChem CID 638012
CAS 89-82-7
Molecular Weight (g/mol) 152.24
ChEBI CHEBI:81226
MDL Number MFCD00063000
SMILES CC1CCC(=C(C)C)C(=O)C1
Synonym --pulegone,s---pulegone,pulegone,-,unii-hl7z89m60h,cyclohexanone, 5-methyl-2-1-methylethylidene-, s,s-p-menth-4 8-en-3-one,s-2-isopropylidene-5-methylcyclohexanone,5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one
IUPAC Name (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
InChI Key NZGWDASTMWDZIW-QMMMGPOBSA-N
Molecular Formula C10H16O
2

D(+)-Carvone, 98%, synthetic

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

EDGE
PubChem CID 16724
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
3

L(-)-Carvone, 99%

CAS: 6485-40-1 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001578 InChI Key: ULDHMXUKGWMISQ-SECBINFHSA-N Synonym: --carvone,l-carvone,r---carvone,l--carvone,r-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,4r-carvone,levo-carvone,--p-mentha-6,8-dien-2-one,--r-carvone PubChem CID: 439570 ChEBI: CHEBI:15400 IUPAC Name: (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one SMILES: CC(=C)[C@@H]1CC=C(C)C(=O)C1

EDGE
PubChem CID 439570
CAS 6485-40-1
Molecular Weight (g/mol) 150.22
ChEBI CHEBI:15400
MDL Number MFCD00001578
SMILES CC(=C)[C@@H]1CC=C(C)C(=O)C1
Synonym --carvone,l-carvone,r---carvone,l--carvone,r-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,4r-carvone,levo-carvone,--p-mentha-6,8-dien-2-one,--r-carvone
IUPAC Name (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI Key ULDHMXUKGWMISQ-SECBINFHSA-N
Molecular Formula C10H14O
4

Linalyl acetate, 95%, synthetic

CAS: 115-95-7 Molecular Formula: C12H20O2 Molecular Weight (g/mol): 196.28 MDL Number: MFCD00008907 InChI Key: UWKAYLJWKGQEPM-UHFFFAOYSA-N Synonym: linalyl acetate,linalool acetate,bergamiol,bergamol,linalol acetate,lynalyl acetate,licareol acetate,bergamot mint oil,acetic acid linalool ester,3,7-dimethyl-1,6-octadien-3-ol acetate PubChem CID: 8294 ChEBI: CHEBI:78333 IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl acetate SMILES: CC(=CCCC(C)(C=C)OC(=O)C)C

EDGE
PubChem CID 8294
CAS 115-95-7
Molecular Weight (g/mol) 196.28
ChEBI CHEBI:78333
MDL Number MFCD00008907
SMILES CC(=CCCC(C)(C=C)OC(=O)C)C
Synonym linalyl acetate,linalool acetate,bergamiol,bergamol,linalol acetate,lynalyl acetate,licareol acetate,bergamot mint oil,acetic acid linalool ester,3,7-dimethyl-1,6-octadien-3-ol acetate
IUPAC Name 3,7-dimethylocta-1,6-dien-3-yl acetate
InChI Key UWKAYLJWKGQEPM-UHFFFAOYSA-N
Molecular Formula C12H20O2
5

Thermo Scientific Chemicals L(-)-Menthol, 99.5%

CAS: 2216-51-5 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 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

EDGE
PubChem CID 16666
CAS 2216-51-5
Molecular Weight (g/mol) 156.27
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
6

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

EDGE
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
7

2-Bromobornane, technical

CAS: 4443-48-5 Molecular Formula: C10H17Br Molecular Weight (g/mol): 217.15 InChI Key: OTOQMOVZIUGCQE-UHFFFAOYSA-N Synonym: bornyl bromide,2-bromobornane,bornyl bromide, pract.,2-bromo-1,7,7-trimethylbicyclo 2.2.1 heptane,bornylbromid,bornylbromide,bornane, 2-bromo,3-bromo-4,7,7-trimethylbicyclo 2.2.1 heptane,2-bromo-1,7,7-trimethylbicyclo 2.2.1 heptane # PubChem CID: 138249 IUPAC Name: 3-bromo-4,7,7-trimethylbicyclo[2.2.1]heptane SMILES: CC1(C2CCC1(C(C2)Br)C)C

PubChem CID 138249
CAS 4443-48-5
Molecular Weight (g/mol) 217.15
SMILES CC1(C2CCC1(C(C2)Br)C)C
Synonym bornyl bromide,2-bromobornane,bornyl bromide, pract.,2-bromo-1,7,7-trimethylbicyclo 2.2.1 heptane,bornylbromid,bornylbromide,bornane, 2-bromo,3-bromo-4,7,7-trimethylbicyclo 2.2.1 heptane,2-bromo-1,7,7-trimethylbicyclo 2.2.1 heptane #
IUPAC Name 3-bromo-4,7,7-trimethylbicyclo[2.2.1]heptane
InChI Key OTOQMOVZIUGCQE-UHFFFAOYSA-N
Molecular Formula C10H17Br
8

DL-Menthol, 99%

CAS: 89-78-1 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00001484 InChI Key: NOOLISFMXDJSKH-IVZWLZJFSA-N Synonym: menthol,dl-menthol,2-isopropyl-5-methylcyclohexanol,menthyl alcohol,cyclohexanol, 5-methyl-2-1-methylethyl,p-menthan-3-ol,racementhol,caswell no. 540,3-p-menthol,+-neo-menthol PubChem CID: 6566020 IUPAC Name: (1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol SMILES: CC1CCC(C(C1)O)C(C)C

EDGE
PubChem CID 6566020
CAS 89-78-1
Molecular Weight (g/mol) 156.27
MDL Number MFCD00001484
SMILES CC1CCC(C(C1)O)C(C)C
Synonym menthol,dl-menthol,2-isopropyl-5-methylcyclohexanol,menthyl alcohol,cyclohexanol, 5-methyl-2-1-methylethyl,p-menthan-3-ol,racementhol,caswell no. 540,3-p-menthol,+-neo-menthol
IUPAC Name (1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol
InChI Key NOOLISFMXDJSKH-IVZWLZJFSA-N
Molecular Formula C10H20O
9

(-)-Myrtenal, 98%

CAS: 18486-69-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00074768 InChI Key: KMRMUZKLFIEVAO-UHFFFAOYNA-N Synonym: --myrtenal,1r-2-pinen-10-al,fema no. 3395,1r-6,6-dimethylbicyclo 3.1.1 hept-2-en-2-carboxaldehyde,2-norpinene-2-carboxaldehyde, 6,6-dimethyl-8ci,bicyclo 3.1.1 hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, 1s,1r---myrtenal,1r---myrtenal, analytical standard,--myrtenal sum of enantiomers, gc PubChem CID: 1201529 SMILES: CC1(C)C2CC1C(C=O)=CC2

PubChem CID 1201529
CAS 18486-69-6
Molecular Weight (g/mol) 150.22
MDL Number MFCD00074768
SMILES CC1(C)C2CC1C(C=O)=CC2
Synonym --myrtenal,1r-2-pinen-10-al,fema no. 3395,1r-6,6-dimethylbicyclo 3.1.1 hept-2-en-2-carboxaldehyde,2-norpinene-2-carboxaldehyde, 6,6-dimethyl-8ci,bicyclo 3.1.1 hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, 1s,1r---myrtenal,1r---myrtenal, analytical standard,--myrtenal sum of enantiomers, gc
InChI Key KMRMUZKLFIEVAO-UHFFFAOYNA-N
Molecular Formula C10H14O
10

DL-Camphoroquinone, 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
11

Menthofuran, 95%

CAS: 494-90-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 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) 150.22
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
12

alpha-Terpineol, 95%, mixture of alpha- and gamma-terpineol

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
13

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
14

4-Isopropylbenzaldehyde, 98%

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 IUPAC Name: 4-propan-2-ylbenzaldehyde 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
IUPAC Name 4-propan-2-ylbenzaldehyde
InChI Key WTWBUQJHJGUZCY-UHFFFAOYSA-N
Molecular Formula C10H12O
15

D(+)-Carvone, 96%, natural

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
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