Organooxygen compounds
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cis-1,2-Cyclohexanedimethanol 97.0+%, TCI America™
CAS: 15753-50-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00062987,MFCD16660860,MFCD22572336,MFCD19300921,MFCD22572336,MFCD09260493 InChI Key: XDODWINGEHBYRT-UHFFFAOYNA-N Synonym: cis-1,2-Bis(hydroxymethyl)cyclohexane PubChem CID: 2724019 IUPAC Name: [2-(hydroxymethyl)cyclohexyl]methanol SMILES: OCC1CCCCC1CO
| PubChem CID | 2724019 |
|---|---|
| CAS | 15753-50-1 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00062987,MFCD16660860,MFCD22572336,MFCD19300921,MFCD22572336,MFCD09260493 |
| SMILES | OCC1CCCCC1CO |
| Synonym | cis-1,2-Bis(hydroxymethyl)cyclohexane |
| IUPAC Name | [2-(hydroxymethyl)cyclohexyl]methanol |
| InChI Key | XDODWINGEHBYRT-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
2,6-Dimethylcyclohexanol (mixture of isomers) 99.0+%, TCI America™
CAS: 5337-72-4 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00001502 InChI Key: MOISVRZIQDQVPF-UHFFFAOYSA-N Synonym: 2,6-dimethylcyclohexanol,cyclohexanol, 2,6-dimethyl,2,6-dimethylcyclohexyl alcohol,ambsclk-255,cyclohexanol,6-dimethyl,2,6-dimethyl-cyclohexanol,acmc-20ao81,2,6-dimethylcyclohexanol,c&t,2,6-dimethyl-cyclohexan-1-ol,2,6-dimethylcyclohexanol, mixture of isomers PubChem CID: 21428 IUPAC Name: 2,6-dimethylcyclohexan-1-ol SMILES: CC1CCCC(C1O)C
| PubChem CID | 21428 |
|---|---|
| CAS | 5337-72-4 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00001502 |
| SMILES | CC1CCCC(C1O)C |
| Synonym | 2,6-dimethylcyclohexanol,cyclohexanol, 2,6-dimethyl,2,6-dimethylcyclohexyl alcohol,ambsclk-255,cyclohexanol,6-dimethyl,2,6-dimethyl-cyclohexanol,acmc-20ao81,2,6-dimethylcyclohexanol,c&t,2,6-dimethyl-cyclohexan-1-ol,2,6-dimethylcyclohexanol, mixture of isomers |
| IUPAC Name | 2,6-dimethylcyclohexan-1-ol |
| InChI Key | MOISVRZIQDQVPF-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
(S)-(+)-3-Hydroxy-2,2-dimethylcyclohexanone 95.0+%, TCI America™
CAS: 87655-21-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00671542 InChI Key: MAGFJLNBFXFQGX-LURJTMIESA-N PubChem CID: 11018979 IUPAC Name: (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one SMILES: CC1(C(CCCC1=O)O)C
| PubChem CID | 11018979 |
|---|---|
| CAS | 87655-21-8 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00671542 |
| SMILES | CC1(C(CCCC1=O)O)C |
| IUPAC Name | (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one |
| InChI Key | MAGFJLNBFXFQGX-LURJTMIESA-N |
| Molecular Formula | C8H14O2 |
1,2,3-Butanetriol 90.0+%, TCI America™
CAS: 4435-50-1 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.121 MDL Number: MFCD00059662 InChI Key: YAXKTBLXMTYWDQ-UHFFFAOYSA-N Synonym: 1,2,3-Trihydroxybutane PubChem CID: 20497 IUPAC Name: butane-1,2,3-triol SMILES: CC(C(CO)O)O
| PubChem CID | 20497 |
|---|---|
| CAS | 4435-50-1 |
| Molecular Weight (g/mol) | 106.121 |
| MDL Number | MFCD00059662 |
| SMILES | CC(C(CO)O)O |
| Synonym | 1,2,3-Trihydroxybutane |
| IUPAC Name | butane-1,2,3-triol |
| InChI Key | YAXKTBLXMTYWDQ-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
2-Methylene-1,3-propanediol 96.0+%, TCI America™
CAS: 3513-81-3 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00075162 InChI Key: JFFYKITVXPZLQS-UHFFFAOYSA-N PubChem CID: 77048 IUPAC Name: 2-methylidenepropane-1,3-diol SMILES: C=C(CO)CO
| PubChem CID | 77048 |
|---|---|
| CAS | 3513-81-3 |
| Molecular Weight (g/mol) | 88.106 |
| MDL Number | MFCD00075162 |
| SMILES | C=C(CO)CO |
| IUPAC Name | 2-methylidenepropane-1,3-diol |
| InChI Key | JFFYKITVXPZLQS-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
4-Phenyl-1-butanol 95.0+%, TCI America™
CAS: 3360-41-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002971 InChI Key: LDZLXQFDGRCELX-UHFFFAOYSA-N Synonym: 4-phenyl-1-butanol,benzenebutanol,4-phenylbutanol,phenylbutyl alcohol,4-phenylbutyl alcohol,1-butanol, 4-phenyl,4-phenyl butanol-1,4-phenyl butanol,unii-q5orz1321g,4-phenyl-n-butanol PubChem CID: 76889 IUPAC Name: 4-phenylbutan-1-ol SMILES: C1=CC=C(C=C1)CCCCO
| PubChem CID | 76889 |
|---|---|
| CAS | 3360-41-6 |
| Molecular Weight (g/mol) | 150.221 |
| MDL Number | MFCD00002971 |
| SMILES | C1=CC=C(C=C1)CCCCO |
| Synonym | 4-phenyl-1-butanol,benzenebutanol,4-phenylbutanol,phenylbutyl alcohol,4-phenylbutyl alcohol,1-butanol, 4-phenyl,4-phenyl butanol-1,4-phenyl butanol,unii-q5orz1321g,4-phenyl-n-butanol |
| IUPAC Name | 4-phenylbutan-1-ol |
| InChI Key | LDZLXQFDGRCELX-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
Jervine 97.0+%, TCI America™
CAS: 469-59-0 Molecular Formula: C27H39NO3 Molecular Weight (g/mol): 425.61 MDL Number: MFCD01684066 InChI Key: CLEXYFLHGFJONT-UHFFFAOYNA-N Synonym: jervine,iervin,jerwiny polish,11-ketocyclopamine,unii-19v3ecx465,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3beta,23beta,17,23beta-epoxy-3beta-hydroxyveratraman-11-one,spiro 9h-benzo a fluorene-9,2' 3'h-furo 3,2-b-pyridin-11 1h-one, 2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10, 11b-tetramethyl,jerwiny,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3-beta,23-beta PubChem CID: 10098 ChEBI: CHEBI:6088 IUPAC Name: 3-hydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-11-one SMILES: CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)C2=C1C
| PubChem CID | 10098 |
|---|---|
| CAS | 469-59-0 |
| Molecular Weight (g/mol) | 425.61 |
| ChEBI | CHEBI:6088 |
| MDL Number | MFCD01684066 |
| SMILES | CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)C2=C1C |
| Synonym | jervine,iervin,jerwiny polish,11-ketocyclopamine,unii-19v3ecx465,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3beta,23beta,17,23beta-epoxy-3beta-hydroxyveratraman-11-one,spiro 9h-benzo a fluorene-9,2' 3'h-furo 3,2-b-pyridin-11 1h-one, 2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10, 11b-tetramethyl,jerwiny,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3-beta,23-beta |
| IUPAC Name | 3-hydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-11-one |
| InChI Key | CLEXYFLHGFJONT-UHFFFAOYNA-N |
| Molecular Formula | C27H39NO3 |
2-Butyne-1,4-diol 99.0+%, TCI America™
CAS: 110-65-6 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002915 InChI Key: DLDJFQGPPSQZKI-UHFFFAOYSA-N Synonym: 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van PubChem CID: 8066 ChEBI: CHEBI:16413 IUPAC Name: but-2-yne-1,4-diol SMILES: C(C#CCO)O
| PubChem CID | 8066 |
|---|---|
| CAS | 110-65-6 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:16413 |
| MDL Number | MFCD00002915 |
| SMILES | C(C#CCO)O |
| Synonym | 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van |
| IUPAC Name | but-2-yne-1,4-diol |
| InChI Key | DLDJFQGPPSQZKI-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
3-Methyl-1-phenyl-3-pentanol 98.0+%, TCI America™
CAS: 10415-87-9 Molecular Formula: C12H18O Molecular Weight (g/mol): 178.275 MDL Number: MFCD00021825 InChI Key: AEJRTNBCFUOSEM-UHFFFAOYSA-N PubChem CID: 61516 IUPAC Name: 3-methyl-1-phenylpentan-3-ol SMILES: CCC(C)(CCC1=CC=CC=C1)O
| PubChem CID | 61516 |
|---|---|
| CAS | 10415-87-9 |
| Molecular Weight (g/mol) | 178.275 |
| MDL Number | MFCD00021825 |
| SMILES | CCC(C)(CCC1=CC=CC=C1)O |
| IUPAC Name | 3-methyl-1-phenylpentan-3-ol |
| InChI Key | AEJRTNBCFUOSEM-UHFFFAOYSA-N |
| Molecular Formula | C12H18O |
Ethyl trans-4-Hydroxycyclohexanecarboxylate 98.0+%, TCI America™
CAS: 3618-04-0 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 InChI Key: BZKQJSLASWRDNE-UHFFFAOYSA-N Synonym: trans-4-Hydroxycyclohexanecarboxylic Acid Ethyl Ester PubChem CID: 86973 IUPAC Name: ethyl 4-hydroxycyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCC(CC1)O
| PubChem CID | 86973 |
|---|---|
| CAS | 3618-04-0 |
| Molecular Weight (g/mol) | 172.224 |
| SMILES | CCOC(=O)C1CCC(CC1)O |
| Synonym | trans-4-Hydroxycyclohexanecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-hydroxycyclohexane-1-carboxylate |
| InChI Key | BZKQJSLASWRDNE-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
5-Bromo-3-pyridinemethanol 98.0+%, TCI America™
CAS: 37669-64-0 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD03265757 InChI Key: WDVDHJLKXYCOFS-UHFFFAOYSA-N Synonym: 5-bromopyridin-3-yl methanol,5-bromo-3-pyridinemethanol,3-bromo-5-hydroxymethylpyridine,5-bromo-3-hydroxymethylpyridine,5-bromo-3-pyridinyl methanol,5-bromo-pyridin-3-yl-methanol,3-pyridinemethanol, 5-bromo,5-bromo-3-pyridyl methan-1-ol,3-bromo-5-hydroxymethyl pyridine,3-bromo-pyridin-5-yl methanol PubChem CID: 2784733 IUPAC Name: (5-bromopyridin-3-yl)methanol SMILES: OCC1=CC(Br)=CN=C1
| PubChem CID | 2784733 |
|---|---|
| CAS | 37669-64-0 |
| Molecular Weight (g/mol) | 188.02 |
| MDL Number | MFCD03265757 |
| SMILES | OCC1=CC(Br)=CN=C1 |
| Synonym | 5-bromopyridin-3-yl methanol,5-bromo-3-pyridinemethanol,3-bromo-5-hydroxymethylpyridine,5-bromo-3-hydroxymethylpyridine,5-bromo-3-pyridinyl methanol,5-bromo-pyridin-3-yl-methanol,3-pyridinemethanol, 5-bromo,5-bromo-3-pyridyl methan-1-ol,3-bromo-5-hydroxymethyl pyridine,3-bromo-pyridin-5-yl methanol |
| IUPAC Name | (5-bromopyridin-3-yl)methanol |
| InChI Key | WDVDHJLKXYCOFS-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
3,3-Dimethyl-1-butanol 95.0+%, TCI America™
CAS: 624-95-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00002928 InChI Key: DUXCSEISVMREAX-UHFFFAOYSA-N Synonym: 3,3-dimethyl-1-butanol,3,3-dimethylbutanol,1-butanol, 3,3-dimethyl,neohexanol,unii-543oyd666t,tert-hexyl alcohol,3,3-dimethyl-butan-1-ol,chembl25029,tert-hexanol,pubchem3096 PubChem CID: 12233 IUPAC Name: 3,3-dimethylbutan-1-ol SMILES: CC(C)(C)CCO
| PubChem CID | 12233 |
|---|---|
| CAS | 624-95-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00002928 |
| SMILES | CC(C)(C)CCO |
| Synonym | 3,3-dimethyl-1-butanol,3,3-dimethylbutanol,1-butanol, 3,3-dimethyl,neohexanol,unii-543oyd666t,tert-hexyl alcohol,3,3-dimethyl-butan-1-ol,chembl25029,tert-hexanol,pubchem3096 |
| IUPAC Name | 3,3-dimethylbutan-1-ol |
| InChI Key | DUXCSEISVMREAX-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
2-(2-Aminophenyl)ethanol 95.0+%, TCI America™
CAS: 5339-85-5 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00007754 InChI Key: ILDXSRFKXABMHH-UHFFFAOYSA-N Synonym: 2-(2-Aminophenyl)ethyl Alcohol, 2-Aminophenethyl Alcohol PubChem CID: 79282 IUPAC Name: 2-(2-aminophenyl)ethanol SMILES: C1=CC=C(C(=C1)CCO)N
| PubChem CID | 79282 |
|---|---|
| CAS | 5339-85-5 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00007754 |
| SMILES | C1=CC=C(C(=C1)CCO)N |
| Synonym | 2-(2-Aminophenyl)ethyl Alcohol, 2-Aminophenethyl Alcohol |
| IUPAC Name | 2-(2-aminophenyl)ethanol |
| InChI Key | ILDXSRFKXABMHH-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
2-Ethylcyclohexanol (cis- and trans- mixture) 97.0+%, TCI America™
CAS: 3760-20-1 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00001445 InChI Key: CFYUBZHJDXXXQE-UHFFFAOYSA-N PubChem CID: 19576 IUPAC Name: 2-ethylcyclohexan-1-ol SMILES: CCC1CCCCC1O
| PubChem CID | 19576 |
|---|---|
| CAS | 3760-20-1 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00001445 |
| SMILES | CCC1CCCCC1O |
| IUPAC Name | 2-ethylcyclohexan-1-ol |
| InChI Key | CFYUBZHJDXXXQE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
4,4'-Bicyclohexanol (mixture of isomers) 98.0+%, TCI America™
CAS: 20601-38-1 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00012056 InChI Key: MZXNOAWIRQFYDB-UHFFFAOYSA-N PubChem CID: 88608 IUPAC Name: 4-(4-hydroxycyclohexyl)cyclohexan-1-ol SMILES: C1CC(CCC1C2CCC(CC2)O)O
| PubChem CID | 88608 |
|---|---|
| CAS | 20601-38-1 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00012056 |
| SMILES | C1CC(CCC1C2CCC(CC2)O)O |
| IUPAC Name | 4-(4-hydroxycyclohexyl)cyclohexan-1-ol |
| InChI Key | MZXNOAWIRQFYDB-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |