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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Geraniol, 99%

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

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PubChem CID	637566
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

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(+)-Dihydrocarvone, 98%, mixture of isomers

CAS: 5524-05-0 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00001636 InChI Key: AZOCECCLWFDTAP-RKDXNWHRSA-N Synonym: +-dihydrocarvone,d-dihydrocarvone,1r,4r-dihydrocarvone,e-dihydrocarvone,unii-vta43h364z,2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one,2r,5r-2-methyl-5-isopropenylcyclohexanone,2r,5r-5-isopropenyl-2-methylcyclohexanone,2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone,cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r PubChem CID: 22227 ChEBI: CHEBI:154 IUPAC Name: (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one SMILES: CC1CCC(CC1=O)C(=C)C

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Specifications

PubChem CID	22227
CAS	5524-05-0
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:154
MDL Number	MFCD00001636
SMILES	CC1CCC(CC1=O)C(=C)C
Synonym	+-dihydrocarvone,d-dihydrocarvone,1r,4r-dihydrocarvone,e-dihydrocarvone,unii-vta43h364z,2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one,2r,5r-2-methyl-5-isopropenylcyclohexanone,2r,5r-5-isopropenyl-2-methylcyclohexanone,2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone,cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r
IUPAC Name	(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
InChI Key	AZOCECCLWFDTAP-RKDXNWHRSA-N
Molecular Formula	C₁₀H₁₆O

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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

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Specifications

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

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

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Specifications

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

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(+)-Diisopinocampheylchloroborane, 1.8M solution in hexanes, AcroSeal™, Thermo Scientific Chemicals

CAS: 112246-73-8 Molecular Formula: C20H34BCl Molecular Weight (g/mol): 320.75 MDL Number: MFCD00074808 InChI Key: PSEHHVRCDVOTID-NAVXHOJHSA-N Synonym: +-b-chlorodiisopinocamphenylborane PubChem CID: 133124869 IUPAC Name: chloro-bis[(3R,4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane SMILES: C[C@H]1[C@@H]2C[C@H](C[C@@H]1B(Cl)[C@H]1C[C@H]3C[C@@H]([C@@H]1C)C3(C)C)C2(C)C

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Specifications

PubChem CID	133124869
CAS	112246-73-8
Molecular Weight (g/mol)	320.75
MDL Number	MFCD00074808
SMILES	C[C@H]1[C@@H]2C[C@H](C[C@@H]1B(Cl)[C@H]1C[C@H]3C[C@@H]([C@@H]1C)C3(C)C)C2(C)C
Synonym	+-b-chlorodiisopinocamphenylborane
IUPAC Name	chloro-bis[(3R,4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
InChI Key	PSEHHVRCDVOTID-NAVXHOJHSA-N
Molecular Formula	C20H34BCl

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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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Ethyl chrysanthemate, 95%, mixture of cis and trans

CAS: 97-41-6 Molecular Formula: C₁₂H₂₀O₂ Molecular Weight (g/mol): 196.29 MDL Number: MFCD00001304 InChI Key: VIMXTGUGWLAOFZ-UHFFFAOYSA-N Synonym: ethyl chrysanthemate,ethyl chrysanthemumate,chrysanthemic acid ethyl ester,cyclopropanecarboxylic acid, 2,2-dimethyl-3-2-methyl-1-propenyl-, ethyl ester,ethylchrysanthemate,ccris 2498,chrysanthemic acid, ethyl ester,ethyl 2,2-dimethyl-3-2-methyl-1-propenyl cyclopropanecarboxylate,ethyl 2,2-dimethyl-3-2-methylprop-1-en-1-yl cyclopropanecarboxylate,ethyl 2,2-dimethyl-3-2-methyl-1-propenyl cyclopropane-1-carboxylate PubChem CID: 7334 IUPAC Name: ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate SMILES: CCOC(=O)C1C(C1(C)C)C=C(C)C

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Specifications

PubChem CID	7334
CAS	97-41-6
Molecular Weight (g/mol)	196.29
MDL Number	MFCD00001304
SMILES	CCOC(=O)C1C(C1(C)C)C=C(C)C
Synonym	ethyl chrysanthemate,ethyl chrysanthemumate,chrysanthemic acid ethyl ester,cyclopropanecarboxylic acid, 2,2-dimethyl-3-2-methyl-1-propenyl-, ethyl ester,ethylchrysanthemate,ccris 2498,chrysanthemic acid, ethyl ester,ethyl 2,2-dimethyl-3-2-methyl-1-propenyl cyclopropanecarboxylate,ethyl 2,2-dimethyl-3-2-methylprop-1-en-1-yl cyclopropanecarboxylate,ethyl 2,2-dimethyl-3-2-methyl-1-propenyl cyclopropane-1-carboxylate
IUPAC Name	ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
InChI Key	VIMXTGUGWLAOFZ-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₀O₂

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L(-)-Borneol, 97%

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

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Specifications

PubChem CID	1201518
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

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Geraniol, 97%

CAS: 106-24-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 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

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Specifications

PubChem CID	637566
CAS	106-24-1
Molecular Weight (g/mol)	154.253
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

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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

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Specifications

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

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Isobornyl methacrylate, 85-90%, stabilized

CAS: 7534-94-3 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00081070 InChI Key: IAXXETNIOYFMLW-UHFFFAOYNA-N Synonym: ibma,isobornyl methacrylate,methacrylic acid isobornyl ester,iso-bornyl methacrylate,isobornyl methacrylate, technical grade,isobornyl methacrylate, stabilized with mehq,exo-1,7,7-trimethylbicyclo 2.2.1 hept-,2-yl methacrylate,1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-yl 2-methylprop-2-enoate PubChem CID: 71311141 IUPAC Name: [(1R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC1CC2CCC1(C)C2(C)C

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Specifications

PubChem CID	71311141
CAS	7534-94-3
Molecular Weight (g/mol)	222.33
MDL Number	MFCD00081070
SMILES	CC(=C)C(=O)OC1CC2CCC1(C)C2(C)C
Synonym	ibma,isobornyl methacrylate,methacrylic acid isobornyl ester,iso-bornyl methacrylate,isobornyl methacrylate, technical grade,isobornyl methacrylate, stabilized with mehq,exo-1,7,7-trimethylbicyclo 2.2.1 hept-,2-yl methacrylate,1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-yl 2-methylprop-2-enoate
IUPAC Name	[(1R,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
InChI Key	IAXXETNIOYFMLW-UHFFFAOYNA-N
Molecular Formula	C14H22O2

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Geranyl bromide, 96%

CAS: 6138-90-5 Molecular Formula: C10H17Br Molecular Weight (g/mol): 217.15 MDL Number: MFCD00000243 InChI Key: JSCUZAYKVZXKQE-JXMROGBWSA-N Synonym: geranyl bromide,e-1-bromo-3,7-dimethylocta-2,6-diene,2,6-octadiene, 1-bromo-3,7-dimethyl-, e,2,6-octadiene, 1-bromo-3,7-dimethyl-, 2e,geranylbromide,2e-1-bromo-3,7-dimethyl-2,6-octadiene,6e-8-bromo-2,6-dimethylocta-2,6-diene,1-bromo-3,7-dimethyl-2,6-octadiene,trans-geranyl bromide,e-geranyl bromide PubChem CID: 5365867 IUPAC Name: (2E)-1-bromo-3,7-dimethylocta-2,6-diene SMILES: CC(=CCCC(=CCBr)C)C

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Specifications

PubChem CID	5365867
CAS	6138-90-5
Molecular Weight (g/mol)	217.15
MDL Number	MFCD00000243
SMILES	CC(=CCCC(=CCBr)C)C
Synonym	geranyl bromide,e-1-bromo-3,7-dimethylocta-2,6-diene,2,6-octadiene, 1-bromo-3,7-dimethyl-, e,2,6-octadiene, 1-bromo-3,7-dimethyl-, 2e,geranylbromide,2e-1-bromo-3,7-dimethyl-2,6-octadiene,6e-8-bromo-2,6-dimethylocta-2,6-diene,1-bromo-3,7-dimethyl-2,6-octadiene,trans-geranyl bromide,e-geranyl bromide
IUPAC Name	(2E)-1-bromo-3,7-dimethylocta-2,6-diene
InChI Key	JSCUZAYKVZXKQE-JXMROGBWSA-N
Molecular Formula	C10H17Br

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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

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Specifications

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

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(+/-)-Camphene, tech. (sum of camphene + fenchene)

CAS: 79-92-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00066603 InChI Key: CRPUJAZIXJMDBK-UHFFFAOYNA-N

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Specifications

CAS	79-92-5
Molecular Weight (g/mol)	136.24
MDL Number	MFCD00066603
InChI Key	CRPUJAZIXJMDBK-UHFFFAOYNA-N
Molecular Formula	C10H16

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(1R)-(-)-Menthyl glyoxylate monohydrate, 98%

CAS: 111969-64-3 Molecular Formula: C12H22O4 Molecular Weight (g/mol): 230.304 MDL Number: MFCD00792503 InChI Key: BWZMJRSMHQDFIT-KXUCPTDWSA-N Synonym: 1r,2s,5r-2-isopropyl-5-methylcyclohexyl 2,2-dihydroxyacetate,l-menthyl glyoxylate hydrate,1r,2s,5r-5-methyl-2-1-methylethyl cyclohexyl dihydroxy-acetate,l-menthyl glyoxylate,l-menthylglyoxylate hydrate,--menthyl 2,2-dihydroxyacetate,1r,2s,5r-5-methyl-2-1-methylethyl cyclohexyl di,2,2-dihydroxyacetic acid 1r,3r,4s-p-menth-3-yl ester,1r,2s,5r-5-methyl-2-propan-2-ylcyclohexyl 2,2-dihydroxyacetate,2,2-dihydroxyacetic acid 1r,2s,5r-2-isopropyl-5-methylcyclohexyl ester PubChem CID: 7373179 IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate SMILES: CC1CCC(C(C1)OC(=O)C(O)O)C(C)C

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Specifications

PubChem CID	7373179
CAS	111969-64-3
Molecular Weight (g/mol)	230.304
MDL Number	MFCD00792503
SMILES	CC1CCC(C(C1)OC(=O)C(O)O)C(C)C
Synonym	1r,2s,5r-2-isopropyl-5-methylcyclohexyl 2,2-dihydroxyacetate,l-menthyl glyoxylate hydrate,1r,2s,5r-5-methyl-2-1-methylethyl cyclohexyl dihydroxy-acetate,l-menthyl glyoxylate,l-menthylglyoxylate hydrate,--menthyl 2,2-dihydroxyacetate,1r,2s,5r-5-methyl-2-1-methylethyl cyclohexyl di,2,2-dihydroxyacetic acid 1r,3r,4s-p-menth-3-yl ester,1r,2s,5r-5-methyl-2-propan-2-ylcyclohexyl 2,2-dihydroxyacetate,2,2-dihydroxyacetic acid 1r,2s,5r-2-isopropyl-5-methylcyclohexyl ester
IUPAC Name	[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
InChI Key	BWZMJRSMHQDFIT-KXUCPTDWSA-N
Molecular Formula	C12H22O4

Monoterpenoids

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