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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211 – 225 of 775 results

211

(-)-Limonene 95.0+%, TCI America™

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

212

Linalyl Propionate 97.0+%, TCI America™

CAS: 144-39-8 Molecular Formula: C13H22O2 Molecular Weight (g/mol): 210.317 MDL Number: MFCD00048607 InChI Key: WAQIIHCCEMGYKP-UHFFFAOYSA-N Synonym: Propionic Acid Linalyl Ester PubChem CID: 61098 IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl propanoate SMILES: CCC(=O)OC(C)(CCC=C(C)C)C=C

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Specifications

PubChem CID	61098
CAS	144-39-8
Molecular Weight (g/mol)	210.317
MDL Number	MFCD00048607
SMILES	CCC(=O)OC(C)(CCC=C(C)C)C=C
Synonym	Propionic Acid Linalyl Ester
IUPAC Name	3,7-dimethylocta-1,6-dien-3-yl propanoate
InChI Key	WAQIIHCCEMGYKP-UHFFFAOYSA-N
Molecular Formula	C13H22O2

213

beta-Citronellol 95.0+%, TCI America™

CAS: 106-22-9 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 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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Specifications

PubChem CID	8842
CAS	106-22-9
Molecular Weight (g/mol)	156.269
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

214

4-tert-Butylcyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™

CAS: 5451-55-8 Molecular Formula: C11H20O2 Molecular Weight (g/mol): 184.279 MDL Number: MFCD00042622 InChI Key: QVQKEGYITJBHRQ-UHFFFAOYSA-N Synonym: trans-4-tert-butylcyclohexanecarboxylic acid,4-tert-butylcyclohexanecarboxylic acid,cis-4-tert-butylcyclohexanecarboxylic acid,trans-4-tert-butyl cyclohexanecarboxylic acid,4-tert-butyl cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, cis,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl,cis-4-tert-butylcyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, trans,qvqkegyitjbhrq-dtorhvgosa-n PubChem CID: 136759 IUPAC Name: 4-tert-butylcyclohexane-1-carboxylic acid SMILES: CC(C)(C)C1CCC(CC1)C(=O)O

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Specifications

PubChem CID	136759
CAS	5451-55-8
Molecular Weight (g/mol)	184.279
MDL Number	MFCD00042622
SMILES	CC(C)(C)C1CCC(CC1)C(=O)O
Synonym	trans-4-tert-butylcyclohexanecarboxylic acid,4-tert-butylcyclohexanecarboxylic acid,cis-4-tert-butylcyclohexanecarboxylic acid,trans-4-tert-butyl cyclohexanecarboxylic acid,4-tert-butyl cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, cis,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl,cis-4-tert-butylcyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-1,1-dimethylethyl-, trans,qvqkegyitjbhrq-dtorhvgosa-n
IUPAC Name	4-tert-butylcyclohexane-1-carboxylic acid
InChI Key	QVQKEGYITJBHRQ-UHFFFAOYSA-N
Molecular Formula	C11H20O2

215

1,3-Bis(dicyanomethylidene)indan 98.0+%, TCI America™

CAS: 38172-19-9 Molecular Formula: C15H6N4 Molecular Weight (g/mol): 242.241 MDL Number: MFCD00142514 InChI Key: HBZYYOYCJQHAEL-UHFFFAOYSA-N Synonym: 1,3-Bis(dicyanomethylene)indan PubChem CID: 3360610 IUPAC Name: 2-[3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile SMILES: C1C(=C(C#N)C#N)C2=CC=CC=C2C1=C(C#N)C#N

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Specifications

PubChem CID	3360610
CAS	38172-19-9
Molecular Weight (g/mol)	242.241
MDL Number	MFCD00142514
SMILES	C1C(=C(C#N)C#N)C2=CC=CC=C2C1=C(C#N)C#N
Synonym	1,3-Bis(dicyanomethylene)indan
IUPAC Name	2-[3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile
InChI Key	HBZYYOYCJQHAEL-UHFFFAOYSA-N
Molecular Formula	C15H6N4

216

Bis[(2R,3aS,4R,7aS)-octahydro-7,8,8-trimethyl-4,7-methanobenzofuran-2-yl] Ether 98.0+%, TCI America™

CAS: 87248-50-8 Molecular Formula: C24H38O3 Molecular Weight (g/mol): 374.565 MDL Number: MFCD00074783 InChI Key: VUDXCBLBKXFCNA-VFQSMPPFSA-N Synonym: (+)-MBF-OH Dimer, (+)-Noe′Cs Reagent PubChem CID: 12916568 SMILES: CC1(C2CCC1(C3C2CC(O3)OC4CC5C6CCC(C5O4)(C6(C)C)C)C)C

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Specifications

PubChem CID	12916568
CAS	87248-50-8
Molecular Weight (g/mol)	374.565
MDL Number	MFCD00074783
SMILES	CC1(C2CCC1(C3C2CC(O3)OC4CC5C6CCC(C5O4)(C6(C)C)C)C)C
Synonym	(+)-MBF-OH Dimer, (+)-Noe′Cs Reagent
InChI Key	VUDXCBLBKXFCNA-VFQSMPPFSA-N
Molecular Formula	C24H38O3

217

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (S)-2-Hydroxypropionate 98.0+%, TCI America™

CAS: 61597-98-6 Molecular Formula: C13H24O3 Molecular Weight (g/mol): 228.33 MDL Number: MFCD09037384,MFCD27977194,MFCD00589639 InChI Key: UJNOLBSYLSYIBM-UHFFFAOYNA-N Synonym: (S)-2-Hydroxypropionic Acid (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Ester, L-Menthyl L-Lactate PubChem CID: 7076215 IUPAC Name: 5-methyl-2-(propan-2-yl)cyclohexyl 2-hydroxypropanoate SMILES: CC(C)C1CCC(C)CC1OC(=O)C(C)O

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Specifications

PubChem CID	7076215
CAS	61597-98-6
Molecular Weight (g/mol)	228.33
MDL Number	MFCD09037384,MFCD27977194,MFCD00589639
SMILES	CC(C)C1CCC(C)CC1OC(=O)C(C)O
Synonym	(S)-2-Hydroxypropionic Acid (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl Ester, L-Menthyl L-Lactate
IUPAC Name	5-methyl-2-(propan-2-yl)cyclohexyl 2-hydroxypropanoate
InChI Key	UJNOLBSYLSYIBM-UHFFFAOYNA-N
Molecular Formula	C13H24O3

218

2-Isopropyl-5-methylanisole 96.0+%, TCI America™

CAS: 1076-56-8 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD01674973 InChI Key: LSQXNMXDFRRDSJ-UHFFFAOYSA-N Synonym: 1-Isopropyl-2-methoxy-4-methylbenzene, 4-Isopropyl-3-methoxytoluene PubChem CID: 14104 IUPAC Name: 2-methoxy-4-methyl-1-propan-2-ylbenzene SMILES: CC1=CC(=C(C=C1)C(C)C)OC

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Specifications

PubChem CID	14104
CAS	1076-56-8
Molecular Weight (g/mol)	164.248
MDL Number	MFCD01674973
SMILES	CC1=CC(=C(C=C1)C(C)C)OC
Synonym	1-Isopropyl-2-methoxy-4-methylbenzene, 4-Isopropyl-3-methoxytoluene
IUPAC Name	2-methoxy-4-methyl-1-propan-2-ylbenzene
InChI Key	LSQXNMXDFRRDSJ-UHFFFAOYSA-N
Molecular Formula	C11H16O

219

p-Cymene 95.0+%, TCI America™

CAS: 99-87-6 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 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

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Specifications

PubChem CID	7463
CAS	99-87-6
Molecular Weight (g/mol)	134.222
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

220

2,6-Di-tert-butyl-4-methylcyclohexanone (mixture of isomers) 95.0+%, TCI America™

CAS: 23790-39-8 Molecular Formula: C15H28O Molecular Weight (g/mol): 224.388 InChI Key: LDPDMUPXRDWOPE-UHFFFAOYSA-N PubChem CID: 228974 IUPAC Name: 2,6-ditert-butyl-4-methylcyclohexan-1-one SMILES: CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C

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Specifications

PubChem CID	228974
CAS	23790-39-8
Molecular Weight (g/mol)	224.388
SMILES	CC1CC(C(=O)C(C1)C(C)(C)C)C(C)(C)C
IUPAC Name	2,6-ditert-butyl-4-methylcyclohexan-1-one
InChI Key	LDPDMUPXRDWOPE-UHFFFAOYSA-N
Molecular Formula	C15H28O

221

(+)-10-Camphorsulfonyl Chloride 97.0+%, TCI America™

CAS: 21286-54-4 Molecular Formula: C10H15ClO3S Molecular Weight (g/mol): 250.737 MDL Number: MFCD00064156 InChI Key: BGABKEVTHIJBIW-GMSGAONNSA-N Synonym: d +-10-camphorsulfonyl chloride,1s,4r-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonyl chloride,1s-+-camphor-10-sulfonyl chloride,d-2-oxobornane-10-sulphonyl chloride,1s-+-10-camphorsulfonyl chloride,d-+-10-camphorsulfonyl chloride,camphor-10-sulfonyl chloride,+-camphor-10-sulfonyl chloride,+-camphor-10-sulfonic acid chloride PubChem CID: 88856 IUPAC Name: [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)Cl)C

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Specifications

PubChem CID	88856
CAS	21286-54-4
Molecular Weight (g/mol)	250.737
MDL Number	MFCD00064156
SMILES	CC1(C2CCC1(C(=O)C2)CS(=O)(=O)Cl)C
Synonym	d +-10-camphorsulfonyl chloride,1s,4r-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonyl chloride,1s-+-camphor-10-sulfonyl chloride,d-2-oxobornane-10-sulphonyl chloride,1s-+-10-camphorsulfonyl chloride,d-+-10-camphorsulfonyl chloride,camphor-10-sulfonyl chloride,+-camphor-10-sulfonyl chloride,+-camphor-10-sulfonic acid chloride
IUPAC Name	[(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonyl chloride
InChI Key	BGABKEVTHIJBIW-GMSGAONNSA-N
Molecular Formula	C10H15ClO3S

222

Thymolphthalein (0.1% in ca. 95% Ethanol) [for pH Determination and Titration], TCI America™

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.544 MDL Number: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one PubChem CID: 31316 IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

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Specifications

PubChem CID	31316
CAS	125-20-2
Molecular Weight (g/mol)	430.544
MDL Number	MFCD00005909
SMILES	CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
Synonym	thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one
IUPAC Name	3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
InChI Key	LDKDGDIWEUUXSH-UHFFFAOYSA-N
Molecular Formula	C28H30O4

223

2,6,6-Trimethyl-2,4-cycloheptadien-1-one 96.0+%, TCI America™

CAS: 503-93-5 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00182537 InChI Key: QNGQIURXCUHNAT-UHFFFAOYSA-N PubChem CID: 136330 ChEBI: CHEBI:80820 IUPAC Name: 2,6,6-trimethylcyclohepta-2,4-dien-1-one SMILES: CC1=CC=CC(CC1=O)(C)C

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Specifications

PubChem CID	136330
CAS	503-93-5
Molecular Weight (g/mol)	150.221
ChEBI	CHEBI:80820
MDL Number	MFCD00182537
SMILES	CC1=CC=CC(CC1=O)(C)C
IUPAC Name	2,6,6-trimethylcyclohepta-2,4-dien-1-one
InChI Key	QNGQIURXCUHNAT-UHFFFAOYSA-N
Molecular Formula	C10H14O

224

(-)-Terpinen-4-ol 95.0+%, TCI America™

CAS: 20126-76-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 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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Specifications

PubChem CID	5325830
CAS	20126-76-5
Molecular Weight (g/mol)	154.253
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

225

5'-Isopropyl-2'-methylindophenol Sodium Salt [Redox Indicator], TCI America™

CAS: 5418-43-9 Molecular Formula: C16H16NNaO2 Molecular Weight (g/mol): 277.299 MDL Number: MFCD00058962 InChI Key: VSHCTHOZOJWONF-UHFFFAOYSA-M Synonym: Thymolindophenol Sodium Salt PubChem CID: 44630378 IUPAC Name: sodium;5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-propan-2-ylphenolate SMILES: CC1=C(C=C(C(=C1)[O-])C(C)C)N=C2C=CC(=O)C=C2.[Na+]

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Specifications

PubChem CID	44630378
CAS	5418-43-9
Molecular Weight (g/mol)	277.299
MDL Number	MFCD00058962
SMILES	CC1=C(C=C(C(=C1)[O-])C(C)C)N=C2C=CC(=O)C=C2.[Na+]
Synonym	Thymolindophenol Sodium Salt
IUPAC Name	sodium;5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-propan-2-ylphenolate
InChI Key	VSHCTHOZOJWONF-UHFFFAOYSA-M
Molecular Formula	C16H16NNaO2

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