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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 141 results
1

Thermo Scientific Chemicals Thymolphthalein, ACS reagent

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.53 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

PubChem CID 31316
CAS 125-20-2
Molecular Weight (g/mol) 430.53
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
2

Thymol, Purified, Reagents

CAS: 89-83-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 InChI Key: MGSRCZKZVOBKFT-UHFFFAOYSA-N Synonym: Thyme camphor, 2-Isopropyl-5-methylphenol, 5-Methyl-2-isopropylphenol IUPAC Name: 5-methyl-2-(propan-2-yl)phenol SMILES: CC(C)C1=CC=C(C)C=C1O

CAS 89-83-8
Molecular Weight (g/mol) 150.22
SMILES CC(C)C1=CC=C(C)C=C1O
Synonym Thyme camphor, 2-Isopropyl-5-methylphenol, 5-Methyl-2-isopropylphenol
IUPAC Name 5-methyl-2-(propan-2-yl)phenol
InChI Key MGSRCZKZVOBKFT-UHFFFAOYSA-N
Molecular Formula C10H14O
3

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

CAS: 108031-79-4 Molecular Formula: C24H38O3 Molecular Weight (g/mol): 374.565 MDL Number: MFCD00151131 InChI Key: VUDXCBLBKXFCNA-FEFNCVQLSA-N Synonym: (-)-MBF-OH Dimer, (-)-Noe′Cs Reagent PubChem CID: 20055568 SMILES: CC1(C2CCC1(C3C2CC(O3)OC4CC5C6CCC(C5O4)(C6(C)C)C)C)C

PubChem CID 20055568
CAS 108031-79-4
Molecular Weight (g/mol) 374.565
MDL Number MFCD00151131
SMILES CC1(C2CCC1(C3C2CC(O3)OC4CC5C6CCC(C5O4)(C6(C)C)C)C)C
Synonym (-)-MBF-OH Dimer, (-)-Noe′Cs Reagent
InChI Key VUDXCBLBKXFCNA-FEFNCVQLSA-N
Molecular Formula C24H38O3
4

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

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
5

(2S,8aR)-(-)-(Camphorylsulfonyl)oxaziridine 95.0+%, TCI America™

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

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
6

(2R,8aS)-(+)-(Camphorylsulfonyl)oxaziridine 95.0+%, TCI America™

CAS: 104322-63-6 Molecular Formula: C10H15NO3S Molecular Weight (g/mol): 229.294 MDL Number: MFCD00075319 InChI Key: GBBJBUGPGFNISJ-SKVWKECBSA-N Synonym: 1r---10-camphorsulfonyl oxaziridine PubChem CID: 86278372 SMILES: CC1(C2CCC13CS(=O)(=O)N4C3(C2)O4)C

PubChem CID 86278372
CAS 104322-63-6
Molecular Weight (g/mol) 229.294
MDL Number MFCD00075319
SMILES CC1(C2CCC13CS(=O)(=O)N4C3(C2)O4)C
Synonym 1r---10-camphorsulfonyl oxaziridine
InChI Key GBBJBUGPGFNISJ-SKVWKECBSA-N
Molecular Formula C10H15NO3S
7

3,3'-Di-tert-butyl-5,5'-dimethyldiphenoquinone 97.0+%, TCI America™

CAS: 2417-00-7 Molecular Formula: C22H28O2 Molecular Weight (g/mol): 324.464 MDL Number: MFCD01310671 InChI Key: UTSXCYFVGSFPGR-FOCLMDBBSA-N PubChem CID: 5355774 IUPAC Name: (4E)-2-tert-butyl-4-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-6-methylcyclohexa-2,5-dien-1-one SMILES: CC1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C)C=C(C1=O)C(C)(C)C

PubChem CID 5355774
CAS 2417-00-7
Molecular Weight (g/mol) 324.464
MDL Number MFCD01310671
SMILES CC1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C)C=C(C1=O)C(C)(C)C
IUPAC Name (4E)-2-tert-butyl-4-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-6-methylcyclohexa-2,5-dien-1-one
InChI Key UTSXCYFVGSFPGR-FOCLMDBBSA-N
Molecular Formula C22H28O2
8

RuCl[(R,R)-Fsdpen](p-cymene) 90.0+%, TCI America™

CAS: 1026995-71-0 Molecular Formula: C30H28ClF5N2O2RuS Molecular Weight (g/mol): 712.138 MDL Number: MFCD12545963 InChI Key: UWFMZLATRGEOIW-ZJPTYAPPSA-M Synonym: [(R,R)-N-(2-Amino-1,2-diphenylethyl)pentafluorobenzenesulfonamide]chloro(p-cymene)ruthenium(II), Chloro(p-cymene)[(R,R)-N-(pentafluorobenzenesulfonyl)-1,2-diphenylethylenediamine]ruthenium(II) PubChem CID: 71463829 IUPAC Name: [(1R,2R)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride SMILES: CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.[Cl-].[Ru+2]

PubChem CID 71463829
CAS 1026995-71-0
Molecular Weight (g/mol) 712.138
MDL Number MFCD12545963
SMILES CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[N-]S(=O)(=O)C3=C(C(=C(C(=C3F)F)F)F)F)N.[Cl-].[Ru+2]
Synonym [(R,R)-N-(2-Amino-1,2-diphenylethyl)pentafluorobenzenesulfonamide]chloro(p-cymene)ruthenium(II), Chloro(p-cymene)[(R,R)-N-(pentafluorobenzenesulfonyl)-1,2-diphenylethylenediamine]ruthenium(II)
IUPAC Name [(1R,2R)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);chloride
InChI Key UWFMZLATRGEOIW-ZJPTYAPPSA-M
Molecular Formula C30H28ClF5N2O2RuS
9

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

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
10

2,4,6-Triisopropylbenzyl Chloride 98.0+%, TCI America™

CAS: 38580-86-8 Molecular Formula: C16H25Cl Molecular Weight (g/mol): 252.826 MDL Number: MFCD03701106 InChI Key: CQHQLMOCMQMZPP-UHFFFAOYSA-N Synonym: 2-Chloromethyl-1,3,5-triisopropylbenzene PubChem CID: 12480672 IUPAC Name: 2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)CCl)C(C)C

PubChem CID 12480672
CAS 38580-86-8
Molecular Weight (g/mol) 252.826
MDL Number MFCD03701106
SMILES CC(C)C1=CC(=C(C(=C1)C(C)C)CCl)C(C)C
Synonym 2-Chloromethyl-1,3,5-triisopropylbenzene
IUPAC Name 2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene
InChI Key CQHQLMOCMQMZPP-UHFFFAOYSA-N
Molecular Formula C16H25Cl
11

(-)-Verbenone 95.0+%, TCI America™

CAS: 1196-01-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001343 InChI Key: DCSCXTJOXBUFGB-JGVFFNPUSA-N Synonym: levoverbenone,--verbenone,l-verbenone,1s---verbenone,--2-pinen-4-one,verbenone,unii-2xp0j7754u,1s,5s-4,6,6-trimethylbicyclo 3.1.1 hept-3-en-2-one,verbenone, l,bicyclo 3.1.1 hept-3-en-2-one, 4,6,6-trimethyl-, 1s,5s PubChem CID: 92874 ChEBI: CHEBI:78316 IUPAC Name: (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one SMILES: CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C

PubChem CID 92874
CAS 1196-01-6
Molecular Weight (g/mol) 150.22
ChEBI CHEBI:78316
MDL Number MFCD00001343
SMILES CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
Synonym levoverbenone,--verbenone,l-verbenone,1s---verbenone,--2-pinen-4-one,verbenone,unii-2xp0j7754u,1s,5s-4,6,6-trimethylbicyclo 3.1.1 hept-3-en-2-one,verbenone, l,bicyclo 3.1.1 hept-3-en-2-one, 4,6,6-trimethyl-, 1s,5s
IUPAC Name (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
InChI Key DCSCXTJOXBUFGB-JGVFFNPUSA-N
Molecular Formula C10H14O
12

4,4'-Diisopropylbiphenyl, TCI America™

CAS: 18970-30-4 Molecular Formula: C18H22 Molecular Weight (g/mol): 238.37 MDL Number: MFCD00043533 InChI Key: NUEUMFZLNOCRCQ-UHFFFAOYSA-N Synonym: 4,4'-diisopropylbiphenyl,4,4'-diisopropyl-1,1'-biphenyl,4,4'-di-iso-propylbiphenyl,unii-wr8g413l6a,1,1'-biphenyl, 4,4'-bis 1-methylethyl,4,4-diisopropylbiphenyl,1,1'-biphenyl, 4,4'-bis-1-methylethyl,1-propan-2-yl-4-4-propan-2-ylphenyl benzene,biphenyl, 4,4'-diisopropyl,pubchem17483 PubChem CID: 519615 IUPAC Name: 4,4'-bis(propan-2-yl)-1,1'-biphenyl SMILES: CC(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)C

PubChem CID 519615
CAS 18970-30-4
Molecular Weight (g/mol) 238.37
MDL Number MFCD00043533
SMILES CC(C)C1=CC=C(C=C1)C1=CC=C(C=C1)C(C)C
Synonym 4,4'-diisopropylbiphenyl,4,4'-diisopropyl-1,1'-biphenyl,4,4'-di-iso-propylbiphenyl,unii-wr8g413l6a,1,1'-biphenyl, 4,4'-bis 1-methylethyl,4,4-diisopropylbiphenyl,1,1'-biphenyl, 4,4'-bis-1-methylethyl,1-propan-2-yl-4-4-propan-2-ylphenyl benzene,biphenyl, 4,4'-diisopropyl,pubchem17483
IUPAC Name 4,4'-bis(propan-2-yl)-1,1'-biphenyl
InChI Key NUEUMFZLNOCRCQ-UHFFFAOYSA-N
Molecular Formula C18H22
13

(1S,2S,5S)-(-)-2-Hydroxy-3-pinanone 98.0+%, TCI America™

CAS: 1845-25-6 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.236 MDL Number: MFCD00040556 InChI Key: VZRRCQOUNSHSGB-BYULHYEWSA-N Synonym: (1S,2S,5S)-(-)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one PubChem CID: 11126668 IUPAC Name: (1S,4S,5S)-4-hydroxy-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one SMILES: CC1(C2CC1C(C(=O)C2)(C)O)C

PubChem CID 11126668
CAS 1845-25-6
Molecular Weight (g/mol) 168.236
MDL Number MFCD00040556
SMILES CC1(C2CC1C(C(=O)C2)(C)O)C
Synonym (1S,2S,5S)-(-)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
IUPAC Name (1S,4S,5S)-4-hydroxy-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one
InChI Key VZRRCQOUNSHSGB-BYULHYEWSA-N
Molecular Formula C10H16O2
14

(+)-Isopinocampheylborane TMEDA Complex 98.0+%, TCI America™

CAS: 68297-74-5 Molecular Formula: C26H50B2N2 Molecular Weight (g/mol): 412.32 MDL Number: MFCD00013212 InChI Key: YIPGSNPACSKQKJ-AUDPXGPISA-N Synonym: (+)-N,N′C-Bis(monoisopinocampheylborane)-N,N,N′C,N′C-tetramethylethylenediamine PubChem CID: 12482036 IUPAC Name: N,N,N',N'-tetramethylethane-1,2-diamine;[(1R,3R,4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]boron SMILES: [B]C1CC2CC(C1C)C2(C)C.[B]C1CC2CC(C1C)C2(C)C.CN(C)CCN(C)C

PubChem CID 12482036
CAS 68297-74-5
Molecular Weight (g/mol) 412.32
MDL Number MFCD00013212
SMILES [B]C1CC2CC(C1C)C2(C)C.[B]C1CC2CC(C1C)C2(C)C.CN(C)CCN(C)C
Synonym (+)-N,N′C-Bis(monoisopinocampheylborane)-N,N,N′C,N′C-tetramethylethylenediamine
IUPAC Name N,N,N',N'-tetramethylethane-1,2-diamine;[(1R,3R,4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]boron
InChI Key YIPGSNPACSKQKJ-AUDPXGPISA-N
Molecular Formula C26H50B2N2
15

4-Isopropylbenzyl Alcohol 98.0+%, TCI America™

CAS: 536-60-7 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00004663 InChI Key: OIGWAXDAPKFNCQ-UHFFFAOYSA-N Synonym: 4-isopropylbenzyl alcohol,cuminol,cumic alcohol,cuminyl alcohol,cuminic alcohol,4-isopropylphenyl methanol,cumyl alcohol,p-cymen-7-ol,cumin alcohol,p-isopropylbenzyl alcohol PubChem CID: 325 ChEBI: CHEBI:27628 IUPAC Name: (4-propan-2-ylphenyl)methanol SMILES: CC(C)C1=CC=C(C=C1)CO

PubChem CID 325
CAS 536-60-7
Molecular Weight (g/mol) 150.221
ChEBI CHEBI:27628
MDL Number MFCD00004663
SMILES CC(C)C1=CC=C(C=C1)CO
Synonym 4-isopropylbenzyl alcohol,cuminol,cumic alcohol,cuminyl alcohol,cuminic alcohol,4-isopropylphenyl methanol,cumyl alcohol,p-cymen-7-ol,cumin alcohol,p-isopropylbenzyl alcohol
IUPAC Name (4-propan-2-ylphenyl)methanol
InChI Key OIGWAXDAPKFNCQ-UHFFFAOYSA-N
Molecular Formula C10H14O