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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(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

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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

(-)-Terpinen-4-ol, 97%, sum of enantiomers

CAS: 20126-76-5 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00167108 InChI Key: WRYLYDPHFGVWKC-JTQLQIEISA-N Synonym: --terpinen-4-ol,--4-terpineol,unii-8vi196vs5t,p-menth-1-en-4-ol, r--,r-p-menth-1-en-4-ol,3-cyclohexen-1-ol, 4-methyl-1-1-methylethyl-, r,3-cyclohexen-1-ol, 4-methyl-1-1-methylethyl-, 1r,r-1-isopropyl-4-methyl-3-cyclohexen-1-ol,l-4-terpineneol,l-4-terpineol PubChem CID: 5325830 IUPAC Name: (1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol SMILES: CC1=CCC(CC1)(C(C)C)O

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PubChem CID	5325830
CAS	20126-76-5
Molecular Weight (g/mol)	154.25
MDL Number	MFCD00167108
SMILES	CC1=CCC(CC1)(C(C)C)O
Synonym	--terpinen-4-ol,--4-terpineol,unii-8vi196vs5t,p-menth-1-en-4-ol, r--,r-p-menth-1-en-4-ol,3-cyclohexen-1-ol, 4-methyl-1-1-methylethyl-, r,3-cyclohexen-1-ol, 4-methyl-1-1-methylethyl-, 1r,r-1-isopropyl-4-methyl-3-cyclohexen-1-ol,l-4-terpineneol,l-4-terpineol
IUPAC Name	(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
InChI Key	WRYLYDPHFGVWKC-JTQLQIEISA-N
Molecular Formula	C₁₀H₁₈O

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Citronellol, 95%

CAS: 106-22-9 Molecular Formula: C₁₀H₂₀O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00002935 InChI Key: QMVPMAAFGQKVCJ-UHFFFAOYSA-N Synonym: citronellol,beta-citronellol,3,7-dimethyl-6-octen-1-ol,dl-citronellol,cephrol,elenol,6-octen-1-ol, 3,7-dimethyl,rodinol,2,3-dihydrogeraniol,2,6-dimethyl-2-octen-8-ol PubChem CID: 8842 ChEBI: CHEBI:50462 IUPAC Name: 3,7-dimethyloct-6-en-1-ol SMILES: CC(CCC=C(C)C)CCO

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PubChem CID	8842
CAS	106-22-9
Molecular Weight (g/mol)	156.27
ChEBI	CHEBI:50462
MDL Number	MFCD00002935
SMILES	CC(CCC=C(C)C)CCO
Synonym	citronellol,beta-citronellol,3,7-dimethyl-6-octen-1-ol,dl-citronellol,cephrol,elenol,6-octen-1-ol, 3,7-dimethyl,rodinol,2,3-dihydrogeraniol,2,6-dimethyl-2-octen-8-ol
IUPAC Name	3,7-dimethyloct-6-en-1-ol
InChI Key	QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Molecular Formula	C₁₀H₂₀O

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DL-Menthol, 98+%

CAS: 89-78-1 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 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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PubChem CID	6566020
CAS	89-78-1
Molecular Weight (g/mol)	156.269
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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Geranic acid, 98% (sum of isomers)

CAS: 459-80-3 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00036493,MFCD20542837 InChI Key: ZHYZQXUYZJNEHD-VQHVLOKHSA-N Synonym: geranic acid,3,7-dimethylocta-2,6-dienoic acid,decaprenoic acid,trans-geranic acid,3,7-dimethyl-2,6-octadienoic acid,3,7-dimethyl-2e,6-octadienoic acid,neric acid,2e-3,7-dimethylocta-2,6-dienoic acid,e-3,7-dimethylocta-2,6-dienoic acid,nerolic acid PubChem CID: 5275520 ChEBI: CHEBI:67264 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dienoic acid SMILES: CC(C)=CCC\C(C)=C\C(O)=O

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PubChem CID	5275520
CAS	459-80-3
Molecular Weight (g/mol)	168.24
ChEBI	CHEBI:67264
MDL Number	MFCD00036493,MFCD20542837
SMILES	CC(C)=CCC\C(C)=C\C(O)=O
Synonym	geranic acid,3,7-dimethylocta-2,6-dienoic acid,decaprenoic acid,trans-geranic acid,3,7-dimethyl-2,6-octadienoic acid,3,7-dimethyl-2e,6-octadienoic acid,neric acid,2e-3,7-dimethylocta-2,6-dienoic acid,e-3,7-dimethylocta-2,6-dienoic acid,nerolic acid
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dienoic acid
InChI Key	ZHYZQXUYZJNEHD-VQHVLOKHSA-N
Molecular Formula	C10H16O2

4-Isopropylbenzonitrile, 95%, Thermo Scientific™

CAS: 13816-33-6 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.205 MDL Number: MFCD00052966 InChI Key: YFDJCWXBKWRDPW-UHFFFAOYSA-N Synonym: 4-isopropylbenzonitrile,cuminyl nitrile,p-cyanocumene,benzonitrile, 4-1-methylethyl,cuminonitrile,cuminic nitrile,p-isopropylbenzonitrile,benzonitrile, p-isopropyl,4-1-methylethyl benzonitrile,4-propan-2-yl benzonitrile PubChem CID: 26289 IUPAC Name: 4-propan-2-ylbenzonitrile SMILES: CC(C)C1=CC=C(C=C1)C#N

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PubChem CID	26289
CAS	13816-33-6
Molecular Weight (g/mol)	145.205
MDL Number	MFCD00052966
SMILES	CC(C)C1=CC=C(C=C1)C#N
Synonym	4-isopropylbenzonitrile,cuminyl nitrile,p-cyanocumene,benzonitrile, 4-1-methylethyl,cuminonitrile,cuminic nitrile,p-isopropylbenzonitrile,benzonitrile, p-isopropyl,4-1-methylethyl benzonitrile,4-propan-2-yl benzonitrile
IUPAC Name	4-propan-2-ylbenzonitrile
InChI Key	YFDJCWXBKWRDPW-UHFFFAOYSA-N
Molecular Formula	C10H11N

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Norbornane-2-carboxylic acid, 98%, predominantly endo isomer

CAS: 824-62-4 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00167749 InChI Key: JESWDXIHOJGWBP-UHFFFAOYNA-N Synonym: bicyclo 2.2.1 heptane-2-carboxylic acid,2-norbornanecarboxylic acid,norbornane-2-carboxylic acid,2-norbornanecarboxylic acid, endo,bicyclo 2.2.1 heptane-2-carboxylic acid, endo,exo-norbornane-2-carboxylic acid,bicyclo 2.2.1 heptane-3-carboxylic acid,2-norbornanecarboxlic acid PubChem CID: 79113 SMILES: OC(=O)C1CC2CCC1C2

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PubChem CID	79113
CAS	824-62-4
Molecular Weight (g/mol)	140.18
MDL Number	MFCD00167749
SMILES	OC(=O)C1CC2CCC1C2
Synonym	bicyclo 2.2.1 heptane-2-carboxylic acid,2-norbornanecarboxylic acid,norbornane-2-carboxylic acid,2-norbornanecarboxylic acid, endo,bicyclo 2.2.1 heptane-2-carboxylic acid, endo,exo-norbornane-2-carboxylic acid,bicyclo 2.2.1 heptane-3-carboxylic acid,2-norbornanecarboxlic acid
InChI Key	JESWDXIHOJGWBP-UHFFFAOYNA-N
Molecular Formula	C8H12O2

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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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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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4-Isopropylbenzoic acid, 98+%

CAS: 536-66-3 Molecular Formula: C₁₀H₁₂O₂ Molecular Weight (g/mol): 164.2 MDL Number: MFCD00002564 InChI Key: CKMXAIVXVKGGFM-UHFFFAOYSA-N Synonym: 4-isopropylbenzoic acid,cuminic acid,cumic acid,p-isopropylbenzoic acid,4-1-methylethyl benzoic acid,benzoic acid, 4-1-methylethyl,4-propan-2-yl benzoic acid,benzoic acid, p-isopropyl,p-cumic acid,4-isopropyl benzoic acid PubChem CID: 10820 ChEBI: CHEBI:28122 IUPAC Name: 4-propan-2-ylbenzoic acid SMILES: CC(C)C1=CC=C(C=C1)C(=O)O

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PubChem CID	10820
CAS	536-66-3
Molecular Weight (g/mol)	164.2
ChEBI	CHEBI:28122
MDL Number	MFCD00002564
SMILES	CC(C)C1=CC=C(C=C1)C(=O)O
Synonym	4-isopropylbenzoic acid,cuminic acid,cumic acid,p-isopropylbenzoic acid,4-1-methylethyl benzoic acid,benzoic acid, 4-1-methylethyl,4-propan-2-yl benzoic acid,benzoic acid, p-isopropyl,p-cumic acid,4-isopropyl benzoic acid
IUPAC Name	4-propan-2-ylbenzoic acid
InChI Key	CKMXAIVXVKGGFM-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₂

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(-)-beta-Citronellol, 97%

CAS: 7540-51-4 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00063214 InChI Key: QMVPMAAFGQKVCJ-JTQLQIEISA-N Synonym: --citronellol,s-3,7-dimethyloct-6-en-1-ol,--beta-citronellol,s---citronellol,beta-rhodinol,s---beta-citronellol,s-citronellol,--3,7-dimethyloct-6-en-1-ol,3s-3,7-dimethyloct-6-en-1-ol,unii-8rsy5y5658 PubChem CID: 7793 ChEBI: CHEBI:88 IUPAC Name: (3S)-3,7-dimethyloct-6-en-1-ol SMILES: CC(CCC=C(C)C)CCO

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Specifications

PubChem CID	7793
CAS	7540-51-4
Molecular Weight (g/mol)	156.269
ChEBI	CHEBI:88
MDL Number	MFCD00063214
SMILES	CC(CCC=C(C)C)CCO
Synonym	--citronellol,s-3,7-dimethyloct-6-en-1-ol,--beta-citronellol,s---citronellol,beta-rhodinol,s---beta-citronellol,s-citronellol,--3,7-dimethyloct-6-en-1-ol,3s-3,7-dimethyloct-6-en-1-ol,unii-8rsy5y5658
IUPAC Name	(3S)-3,7-dimethyloct-6-en-1-ol
InChI Key	QMVPMAAFGQKVCJ-JTQLQIEISA-N
Molecular Formula	C10H20O

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(-)-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 SMILES: CC1(C)[C@@H]2CC[C@]1(C)[C@H](O)C2

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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
InChI Key	DTGKSKDOIYIVQL-NQMVMOMDSA-N
Molecular Formula	C10H18O

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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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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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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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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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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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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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