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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181 – 195 of 771 results

181

(+)-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

182

p-Cymene, 97%

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

183

Citral, 95%, mixture of cis and trans

CAS: 5392-40-5 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00006997 InChI Key: WTEVQBCEXWBHNA-JXMROGBWSA-N Synonym: citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb PubChem CID: 638011 ChEBI: CHEBI:16980 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dienal SMILES: CC(C)=CCC\C(C)=C\C=O

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Specifications

PubChem CID	638011
CAS	5392-40-5
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:16980
MDL Number	MFCD00006997
SMILES	CC(C)=CCC\C(C)=C\C=O
Synonym	citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dienal
InChI Key	WTEVQBCEXWBHNA-JXMROGBWSA-N
Molecular Formula	C10H16O

184

(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate, 98%

CAS: 1517-82-4 Molecular Formula: C₁₇H₂₆O₂S Molecular Weight (g/mol): 294.46 InChI Key: NQICGNSARVCSGJ-DSRNLFJRSA-N Synonym: 1r,2s,5r---menthyl s-p-toluenesulfinate,4-methylbenzenesulfinic acid 1r,5r-2-isopropyl-5-methylcyclohexyl ester PubChem CID: 101348873 IUPAC Name: [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate SMILES: CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C

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Specifications

PubChem CID	101348873
CAS	1517-82-4
Molecular Weight (g/mol)	294.46
SMILES	CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C
Synonym	1r,2s,5r---menthyl s-p-toluenesulfinate,4-methylbenzenesulfinic acid 1r,5r-2-isopropyl-5-methylcyclohexyl ester
IUPAC Name	[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate
InChI Key	NQICGNSARVCSGJ-DSRNLFJRSA-N
Molecular Formula	C₁₇H₂₆O₂S

185

4-Isopropylbenzaldehyde, tech. 90%

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 SMILES: CC(C)C1=CC=C(C=O)C=C1

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Specifications

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
InChI Key	WTWBUQJHJGUZCY-UHFFFAOYSA-N
Molecular Formula	C10H12O

186

(1R)-(+)-alpha-Pinene, 98%, 80% ee

CAS: 7785-70-8 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001346 InChI Key: GRWFGVWFFZKLTI-RKDXNWHRSA-N Synonym: +-alpha-pinene,1r,5r-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1r-+-alpha-pinene,1r,5r-alpha-pinene,unii-h6cm4twh1w,+-pinene,h6cm4twh1w,1r,5r-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1r,5r,+-pin-2 3-ene PubChem CID: 82227 ChEBI: CHEBI:28261 SMILES: CC1=CC[C@@H]2C[C@H]1C2(C)C

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Specifications

PubChem CID	82227
CAS	7785-70-8
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:28261
MDL Number	MFCD00001346
SMILES	CC1=CC[C@@H]2C[C@H]1C2(C)C
Synonym	+-alpha-pinene,1r,5r-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1r-+-alpha-pinene,1r,5r-alpha-pinene,unii-h6cm4twh1w,+-pinene,h6cm4twh1w,1r,5r-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1r,5r,+-pin-2 3-ene
InChI Key	GRWFGVWFFZKLTI-RKDXNWHRSA-N
Molecular Formula	C10H16

187

3-Carene, 90%, stabilized

CAS: 13466-78-9 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.23 MDL Number: MFCD00001315 InChI Key: BQOFWKZOCNGFEC-UHFFFAOYSA-N Synonym: 3-carene,carene,3,7,7-trimethylbicyclo 4.1.0 hept-3-ene,delta-3-carene,monoterpenes,alpha-carene,bicyclo 4.1.0 hept-3-ene, 3,7,7-trimethyl,+--delta3-carene,+ car-3-ene,+--3-carene PubChem CID: 26049 ChEBI: CHEBI:35661 IUPAC Name: 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene SMILES: CC1=CCC2C(C1)C2(C)C

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Specifications

PubChem CID	26049
CAS	13466-78-9
Molecular Weight (g/mol)	136.23
ChEBI	CHEBI:35661
MDL Number	MFCD00001315
SMILES	CC1=CCC2C(C1)C2(C)C
Synonym	3-carene,carene,3,7,7-trimethylbicyclo 4.1.0 hept-3-ene,delta-3-carene,monoterpenes,alpha-carene,bicyclo 4.1.0 hept-3-ene, 3,7,7-trimethyl,+--delta3-carene,+ car-3-ene,+--3-carene
IUPAC Name	4,7,7-trimethylbicyclo[4.1.0]hept-3-ene
InChI Key	BQOFWKZOCNGFEC-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆

188

(R)-(-)-Carvone 99.0+%, TCI America™

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-yl)cyclohex-2-en-1-one SMILES: CC(=C)[C@@H]1CC=C(C)C(=O)C1

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Specifications

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-yl)cyclohex-2-en-1-one
InChI Key	ULDHMXUKGWMISQ-SECBINFHSA-N
Molecular Formula	C10H14O

189

2,6-Di-tert-butyl-1,4-benzoquinone 98.0+%, TCI America™

CAS: 719-22-2 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 MDL Number: MFCD00001601 InChI Key: RDQSIADLBQFVMY-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-p-benzoquinone,2,6-di-tert-butyl-1,4-benzoquinone,2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione,2,6-di-tert-butylbenzoquinone,2,6-di-tert-butylquinone,2,6-di-t-butyl-p-benzoquinone,2,5-cyclohexadiene-1,4-dione, 2,6-bis 1,1-dimethylethyl,p-benzoquinone, 2,6-di-tert-butyl,unii-4c9d8l0y0t,2,6-di tert-butyl benzo-1,4-quinone PubChem CID: 12867 IUPAC Name: 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione SMILES: CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C

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Specifications

PubChem CID	12867
CAS	719-22-2
Molecular Weight (g/mol)	220.312
MDL Number	MFCD00001601
SMILES	CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
Synonym	2,6-di-tert-butyl-p-benzoquinone,2,6-di-tert-butyl-1,4-benzoquinone,2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione,2,6-di-tert-butylbenzoquinone,2,6-di-tert-butylquinone,2,6-di-t-butyl-p-benzoquinone,2,5-cyclohexadiene-1,4-dione, 2,6-bis 1,1-dimethylethyl,p-benzoquinone, 2,6-di-tert-butyl,unii-4c9d8l0y0t,2,6-di tert-butyl benzo-1,4-quinone
IUPAC Name	2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione
InChI Key	RDQSIADLBQFVMY-UHFFFAOYSA-N
Molecular Formula	C14H20O2

190

(-)-beta-Citronellol 95.0+%, TCI America™

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

191

(-)-Citronellal 96.0+%, TCI America™

CAS: 5949-05-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00075588 InChI Key: NEHNMFOYXAPHSD-JTQLQIEISA-N Synonym: s---citronellal,--citronellal,s-citronellal,s-3,7-dimethyloct-6-enal,3s-3,7-dimethyl-6-octenal,3s---citronellal,s---3,7-dimethyl-6-octenal,s-3,7-dimethyl-6-octenal,3s-3,7-dimethyloct-6-enal,6-octenal, 3,7-dimethyl-, 3s PubChem CID: 443157 ChEBI: CHEBI:368 IUPAC Name: (3S)-3,7-dimethyloct-6-enal SMILES: CC(CCC=C(C)C)CC=O

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Specifications

PubChem CID	443157
CAS	5949-05-3
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:368
MDL Number	MFCD00075588
SMILES	CC(CCC=C(C)C)CC=O
Synonym	s---citronellal,--citronellal,s-citronellal,s-3,7-dimethyloct-6-enal,3s-3,7-dimethyl-6-octenal,3s---citronellal,s---3,7-dimethyl-6-octenal,s-3,7-dimethyl-6-octenal,3s-3,7-dimethyloct-6-enal,6-octenal, 3,7-dimethyl-, 3s
IUPAC Name	(3S)-3,7-dimethyloct-6-enal
InChI Key	NEHNMFOYXAPHSD-JTQLQIEISA-N
Molecular Formula	C10H18O

192

alpha-Pinene Oxide 95.0+%, TCI America™

CAS: 1686-14-2 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00066955 InChI Key: NQFUSWIGRKFAHK-UHFFFAOYSA-N Synonym: 2,3-Epoxypinane PubChem CID: 91508 ChEBI: CHEBI:29060 SMILES: CC1(C2CC1C3(C(C2)O3)C)C

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Specifications

PubChem CID	91508
CAS	1686-14-2
Molecular Weight (g/mol)	152.237
ChEBI	CHEBI:29060
MDL Number	MFCD00066955
SMILES	CC1(C2CC1C3(C(C2)O3)C)C
Synonym	2,3-Epoxypinane
InChI Key	NQFUSWIGRKFAHK-UHFFFAOYSA-N
Molecular Formula	C10H16O

193

(-)-Menthyl Chloroformate 97.0+%, TCI America™

CAS: 14602-86-9 Molecular Formula: C11H19ClO2 Molecular Weight (g/mol): 218.72 MDL Number: MFCD00009694,MFCD00190089 InChI Key: KIUPCUCGVCGPPA-UHFFFAOYNA-N Synonym: 1r---menthyl chloroformate,--menthyl chloroformate,1r,2s,5r-2-isopropyl-5-methylcyclohexyl carbonochloridate,--menthylchloroformate,pubchem8110,?-menthyl chloroformate,--chloroformyloxy-p-menthane,1r,2s,5r-2-isopropyl-5-methylcyclohexylcarbonochloridate,1r,2s,5r-5-methyl-2-propan-2-yl cyclohexyl chloroformate,1r---menthyl chloroformate, optical purity ee glc PubChem CID: 7014897 IUPAC Name: 5-methyl-2-(propan-2-yl)cyclohexyl carbonochloridate SMILES: CC(C)C1CCC(C)CC1OC(Cl)=O

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Specifications

PubChem CID	7014897
CAS	14602-86-9
Molecular Weight (g/mol)	218.72
MDL Number	MFCD00009694,MFCD00190089
SMILES	CC(C)C1CCC(C)CC1OC(Cl)=O
Synonym	1r---menthyl chloroformate,--menthyl chloroformate,1r,2s,5r-2-isopropyl-5-methylcyclohexyl carbonochloridate,--menthylchloroformate,pubchem8110,?-menthyl chloroformate,--chloroformyloxy-p-menthane,1r,2s,5r-2-isopropyl-5-methylcyclohexylcarbonochloridate,1r,2s,5r-5-methyl-2-propan-2-yl cyclohexyl chloroformate,1r---menthyl chloroformate, optical purity ee glc
IUPAC Name	5-methyl-2-(propan-2-yl)cyclohexyl carbonochloridate
InChI Key	KIUPCUCGVCGPPA-UHFFFAOYNA-N
Molecular Formula	C11H19ClO2

194

alpha-Terpineol 95.0+%, TCI America™

CAS: 98-55-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 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

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Specifications

PubChem CID	17100
CAS	98-55-5
Molecular Weight (g/mol)	154.253
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

195

(-)-alpha-Phellandrene 65.0+%, TCI America™

CAS: 4221-98-1 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00062988 InChI Key: OGLDWXZKYODSOB-SNVBAGLBSA-N Synonym: (-)-5-Isopropyl-2-methyl-1,3-cyclohexadiene, (-)-p-Mentha-1,5-diene PubChem CID: 442482 ChEBI: CHEBI:301 IUPAC Name: (5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene SMILES: CC1=CCC(C=C1)C(C)C

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Specifications

PubChem CID	442482
CAS	4221-98-1
Molecular Weight (g/mol)	136.238
ChEBI	CHEBI:301
MDL Number	MFCD00062988
SMILES	CC1=CCC(C=C1)C(C)C
Synonym	(-)-5-Isopropyl-2-methyl-1,3-cyclohexadiene, (-)-p-Mentha-1,5-diene
IUPAC Name	(5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
InChI Key	OGLDWXZKYODSOB-SNVBAGLBSA-N
Molecular Formula	C10H16

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