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 – 15 of 291 results

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L(-)-Perillaldehyde, 90%

CAS: 18031-40-8 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001543 InChI Key: RUMOYJJNUMEFDD-SNVBAGLBSA-N Synonym: --perillaldehyde,s---perillaldehyde,s-4-prop-1-en-2-yl cyclohex-1-enecarbaldehyde,l-perillaldehyde,s-p-mentha-1,8-dien-7-al,unii-5el0y7p6lp,--perillaaldehyde,perillaldehyde,-,s-4-isopropenyl-1-cyclohexene-1-carboxaldehyde,1-cyclohexene-1-carboxaldehyde, 4-1-methylethenyl-, 4s PubChem CID: 2724159 ChEBI: CHEBI:86938 IUPAC Name: (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde SMILES: CC(=C)C1CCC(=CC1)C=O

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PubChem CID	2724159
CAS	18031-40-8
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:86938
MDL Number	MFCD00001543
SMILES	CC(=C)C1CCC(=CC1)C=O
Synonym	--perillaldehyde,s---perillaldehyde,s-4-prop-1-en-2-yl cyclohex-1-enecarbaldehyde,l-perillaldehyde,s-p-mentha-1,8-dien-7-al,unii-5el0y7p6lp,--perillaaldehyde,perillaldehyde,-,s-4-isopropenyl-1-cyclohexene-1-carboxaldehyde,1-cyclohexene-1-carboxaldehyde, 4-1-methylethenyl-, 4s
IUPAC Name	(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
InChI Key	RUMOYJJNUMEFDD-SNVBAGLBSA-N
Molecular Formula	C₁₀H₁₄O

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(1R,2S)-(-)-2,N-Epoxy-10,2-camphorsultam, 96%

CAS: 104372-31-8 Molecular Formula: C10H15NO3S Molecular Weight (g/mol): 229.294 MDL Number: MFCD00075428 InChI Key: GBBJBUGPGFNISJ-HPFPYREMSA-N Synonym: 1r---10-camphorsulfonyl oxaziridine,--2s,8ar-camphorylsulfonyl oxaziridine PubChem CID: 98044902 SMILES: CC1(C2CCC13CS(=O)(=O)N4C3(C2)O4)C

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Specifications

PubChem CID	98044902
CAS	104372-31-8
Molecular Weight (g/mol)	229.294
MDL Number	MFCD00075428
SMILES	CC1(C2CCC13CS(=O)(=O)N4C3(C2)O4)C
Synonym	1r---10-camphorsulfonyl oxaziridine,--2s,8ar-camphorylsulfonyl oxaziridine
InChI Key	GBBJBUGPGFNISJ-HPFPYREMSA-N
Molecular Formula	C10H15NO3S

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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

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Specifications

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

2-Fluoro-alpha-methyl-4-biphenylacetic acid, 99%

CAS: 5104-49-4 Molecular Formula: C15H13FO2 Molecular Weight (g/mol): 244.27 MDL Number: MFCD00079303 InChI Key: SYTBZMRGLBWNTM-UHFFFAOYNA-N Synonym: flurbiprofen,ansaid,froben,antadys,cebutid,flurofen,anside,flurbiprofene,flurbiprofeno,flurbiprofenum PubChem CID: 3394 ChEBI: CHEBI:5130 SMILES: CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1

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Specifications

PubChem CID	3394
CAS	5104-49-4
Molecular Weight (g/mol)	244.27
ChEBI	CHEBI:5130
MDL Number	MFCD00079303
SMILES	CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1
Synonym	flurbiprofen,ansaid,froben,antadys,cebutid,flurofen,anside,flurbiprofene,flurbiprofeno,flurbiprofenum
InChI Key	SYTBZMRGLBWNTM-UHFFFAOYNA-N
Molecular Formula	C15H13FO2

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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

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Specifications

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

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cis-4-Isopropylcyclohexanecarboxylic acid, 97%

CAS: 7084-93-7 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD04004145,MFCD01734696,MFCD19706019 InChI Key: YRQKWRUZZCBSIG-UHFFFAOYSA-N Synonym: trans-4-isopropylcyclohexanecarboxylic acid,trans-4-isopropylcyclohexane carboxylic acid,4-isopropylcyclohexanecarboxylic acid,hexahydrocumic acid,isopropyl-cyclohexanecarboxylic acid,cis-4-isopropylcyclohexanecarboxylic acid,p-isopropylhexahydrobenzoic acid,cyclohexanecarboxylic acid, 4-1-methylethyl,cyclohexanecarboxylic acid, 4-isopropyl,cyclohexanecarboxylic acid, 4-1-methylethyl-, trans PubChem CID: 81526 IUPAC Name: 4-propan-2-ylcyclohexane-1-carboxylic acid SMILES: CC(C)C1CCC(CC1)C(O)=O

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Specifications

PubChem CID	81526
CAS	7084-93-7
Molecular Weight (g/mol)	170.25
MDL Number	MFCD04004145,MFCD01734696,MFCD19706019
SMILES	CC(C)C1CCC(CC1)C(O)=O
Synonym	trans-4-isopropylcyclohexanecarboxylic acid,trans-4-isopropylcyclohexane carboxylic acid,4-isopropylcyclohexanecarboxylic acid,hexahydrocumic acid,isopropyl-cyclohexanecarboxylic acid,cis-4-isopropylcyclohexanecarboxylic acid,p-isopropylhexahydrobenzoic acid,cyclohexanecarboxylic acid, 4-1-methylethyl,cyclohexanecarboxylic acid, 4-isopropyl,cyclohexanecarboxylic acid, 4-1-methylethyl-, trans
IUPAC Name	4-propan-2-ylcyclohexane-1-carboxylic acid
InChI Key	YRQKWRUZZCBSIG-UHFFFAOYSA-N
Molecular Formula	C10H18O2

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

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Specifications

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

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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

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Specifications

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

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4-Isopropylbenzyl chloride, 95%

CAS: 2051-18-5 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.664 MDL Number: MFCD00018885 InChI Key: CYAKWEQUWJAHLW-UHFFFAOYSA-N Synonym: 4-isopropylbenzyl chloride,1-chloromethyl-4-isopropylbenzene,p-cymene, 7-chloro,p-isopropylbenzyl chloride,7-chloro-p-cymene,4-isopropylbenzylchloride,benzene, 1-chloromethyl-4-1-methylethyl,1-chloromethyl-4-propan-2-yl benzene,p-isopropyl benzyl chloride,benzene, 1-chloromethyl-4-methylethyl PubChem CID: 74916 IUPAC Name: 1-(chloromethyl)-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(C=C1)CCl

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Specifications

PubChem CID	74916
CAS	2051-18-5
Molecular Weight (g/mol)	168.664
MDL Number	MFCD00018885
SMILES	CC(C)C1=CC=C(C=C1)CCl
Synonym	4-isopropylbenzyl chloride,1-chloromethyl-4-isopropylbenzene,p-cymene, 7-chloro,p-isopropylbenzyl chloride,7-chloro-p-cymene,4-isopropylbenzylchloride,benzene, 1-chloromethyl-4-1-methylethyl,1-chloromethyl-4-propan-2-yl benzene,p-isopropyl benzyl chloride,benzene, 1-chloromethyl-4-methylethyl
IUPAC Name	1-(chloromethyl)-4-propan-2-ylbenzene
InChI Key	CYAKWEQUWJAHLW-UHFFFAOYSA-N
Molecular Formula	C10H13Cl

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(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

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Specifications

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

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4-Isopropylphenylacetonitrile, 98+%

CAS: 4395-87-3 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.23 MDL Number: MFCD00040892 InChI Key: RIPHZOPMCRSGSI-UHFFFAOYSA-N Synonym: 4-isopropylphenylacetonitrile,2-4-isopropylphenyl acetonitrile,4-isopropylphenyl acetonitrile,2-4-propan-2-yl phenyl acetonitrile,4-propan-2-yl phenyl acetonitrile,pubchem17248,acmc-20ai20,2-4-propan-2-ylphenyl acetonitrile,2-4-methylethyl phenyl ethanenitrile PubChem CID: 138222 IUPAC Name: 2-(4-propan-2-ylphenyl)acetonitrile SMILES: CC(C)C1=CC=C(CC#N)C=C1

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Specifications

PubChem CID	138222
CAS	4395-87-3
Molecular Weight (g/mol)	159.23
MDL Number	MFCD00040892
SMILES	CC(C)C1=CC=C(CC#N)C=C1
Synonym	4-isopropylphenylacetonitrile,2-4-isopropylphenyl acetonitrile,4-isopropylphenyl acetonitrile,2-4-propan-2-yl phenyl acetonitrile,4-propan-2-yl phenyl acetonitrile,pubchem17248,acmc-20ai20,2-4-propan-2-ylphenyl acetonitrile,2-4-methylethyl phenyl ethanenitrile
IUPAC Name	2-(4-propan-2-ylphenyl)acetonitrile
InChI Key	RIPHZOPMCRSGSI-UHFFFAOYSA-N
Molecular Formula	C11H13N

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(1S,2S,3R,5S)-2,3-Pinanediol, 99%

CAS: 18680-27-8 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00077851 InChI Key: MOILFCKRQFQVFS-OORONAJNSA-N Synonym: 1s,2s,3r,5s-+-2,3-pinanediol,1s,2s,3r,5s-2,6,6-trimethylbicyclo 3.1.1 heptane-2,3-diol,1s,2s,3r,5s-+-pinanediol,+-pinanediol,pinanediol, +,unii-y6zcv4avra,+-2-hydroxyisopinocampheol,y6zcv4avra,1s,2s,3r,5s-2,3-pinanediol,bicyclo 3.1.1 heptane-2,3-diol, 2,6,6-trimethyl-, 1s,2s,3r,5s PubChem CID: 10219606 IUPAC Name: (1S,3R,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol SMILES: CC1(C2CC1C(C(C2)O)(C)O)C

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Specifications

PubChem CID	10219606
CAS	18680-27-8
Molecular Weight (g/mol)	170.252
MDL Number	MFCD00077851
SMILES	CC1(C2CC1C(C(C2)O)(C)O)C
Synonym	1s,2s,3r,5s-+-2,3-pinanediol,1s,2s,3r,5s-2,6,6-trimethylbicyclo 3.1.1 heptane-2,3-diol,1s,2s,3r,5s-+-pinanediol,+-pinanediol,pinanediol, +,unii-y6zcv4avra,+-2-hydroxyisopinocampheol,y6zcv4avra,1s,2s,3r,5s-2,3-pinanediol,bicyclo 3.1.1 heptane-2,3-diol, 2,6,6-trimethyl-, 1s,2s,3r,5s
IUPAC Name	(1S,3R,4S,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol
InChI Key	MOILFCKRQFQVFS-OORONAJNSA-N
Molecular Formula	C10H18O2

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(1S)-(+)-Menthyl acetate, 99%

CAS: 5157-89-1 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00062977 InChI Key: XHXUANMFYXWVNG-DLOVCJGASA-N Synonym: neoisomenthyl acetate,+-menthylacetate,1s-2alpha-1-methylethyl-5alpha-methylcyclohexan-1alpha-ol acetate PubChem CID: 21630934 IUPAC Name: [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate SMILES: CC1CCC(C(C1)OC(=O)C)C(C)C

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Specifications

PubChem CID	21630934
CAS	5157-89-1
Molecular Weight (g/mol)	198.306
MDL Number	MFCD00062977
SMILES	CC1CCC(C(C1)OC(=O)C)C(C)C
Synonym	neoisomenthyl acetate,+-menthylacetate,1s-2alpha-1-methylethyl-5alpha-methylcyclohexan-1alpha-ol acetate
IUPAC Name	[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
InChI Key	XHXUANMFYXWVNG-DLOVCJGASA-N
Molecular Formula	C12H22O2

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Menthofuran, 95%

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

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Specifications

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

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4-Isopropylphenylacetic acid, 98+%

CAS: 4476-28-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00041035 InChI Key: RERBQXVRXYCGLT-UHFFFAOYSA-N Synonym: 4-isopropylphenylacetic acid,2-4-isopropylphenyl acetic acid,4-isopropylphenyl acetic acid,benzeneacetic acid, 4-1-methylethyl,2-4-propan-2-yl phenyl acetic acid,p-isopropyl phenyl acetic acid,4-isopropyl-phenyl-acetic acid,4-propan-2-yl phenyl acetic acid,2-4-methylethyl phenyl acetic acid,4-isopropylphenylaceticacid PubChem CID: 78230 IUPAC Name: 2-(4-propan-2-ylphenyl)acetic acid SMILES: CC(C)C1=CC=C(C=C1)CC(=O)O

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Specifications

PubChem CID	78230
CAS	4476-28-2
Molecular Weight (g/mol)	178.231
MDL Number	MFCD00041035
SMILES	CC(C)C1=CC=C(C=C1)CC(=O)O
Synonym	4-isopropylphenylacetic acid,2-4-isopropylphenyl acetic acid,4-isopropylphenyl acetic acid,benzeneacetic acid, 4-1-methylethyl,2-4-propan-2-yl phenyl acetic acid,p-isopropyl phenyl acetic acid,4-isopropyl-phenyl-acetic acid,4-propan-2-yl phenyl acetic acid,2-4-methylethyl phenyl acetic acid,4-isopropylphenylaceticacid
IUPAC Name	2-(4-propan-2-ylphenyl)acetic acid
InChI Key	RERBQXVRXYCGLT-UHFFFAOYSA-N
Molecular Formula	C11H14O2

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