Organooxygen compounds
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Dihydromyrcenol, MP Biomedicals™
CAS: 18479-58-8 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00004474 InChI Key: XSNQECSCDATQEL-UHFFFAOYSA-N Synonym: dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 PubChem CID: 29096 ChEBI: CHEBI:87528 IUPAC Name: 2,6-dimethyloct-7-en-2-ol SMILES: CC(CCCC(C)(C)O)C=C
| PubChem CID | 29096 |
|---|---|
| CAS | 18479-58-8 |
| Molecular Weight (g/mol) | 156.269 |
| ChEBI | CHEBI:87528 |
| MDL Number | MFCD00004474 |
| SMILES | CC(CCCC(C)(C)O)C=C |
| Synonym | dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 |
| IUPAC Name | 2,6-dimethyloct-7-en-2-ol |
| InChI Key | XSNQECSCDATQEL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
2-Hydroxyacetophenone, 97+%
CAS: 582-24-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00041829 InChI Key: ZWVHTXAYIKBMEE-UHFFFAOYSA-N Synonym: 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy PubChem CID: 68490 ChEBI: CHEBI:28341 IUPAC Name: 2-hydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CO
| PubChem CID | 68490 |
|---|---|
| CAS | 582-24-1 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28341 |
| MDL Number | MFCD00041829 |
| SMILES | C1=CC=C(C=C1)C(=O)CO |
| Synonym | 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy |
| IUPAC Name | 2-hydroxy-1-phenylethanone |
| InChI Key | ZWVHTXAYIKBMEE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Cerium(IV) 2-methoxyethoxide, 18-20% w/w in 2-methoxyethanol
CAS: 876107-33-4 Molecular Formula: C12H28CeO8 Molecular Weight (g/mol): 440.464 MDL Number: MFCD00236530 InChI Key: JRRALIVAHBLZSS-UHFFFAOYSA-N Synonym: cerium iv methoxyethoxide w/w in methoxyethanol,tetrakis 2-methoxyethoxy cerium iv,cerium 4+ tetrakis 2-methoxyethan-1-olate,cerium iv methoxyethoxide in methoxyethanol PubChem CID: 21200429 IUPAC Name: cerium(4+);2-methoxyethanolate SMILES: COCC[O-].COCC[O-].COCC[O-].COCC[O-].[Ce+4]
| PubChem CID | 21200429 |
|---|---|
| CAS | 876107-33-4 |
| Molecular Weight (g/mol) | 440.464 |
| MDL Number | MFCD00236530 |
| SMILES | COCC[O-].COCC[O-].COCC[O-].COCC[O-].[Ce+4] |
| Synonym | cerium iv methoxyethoxide w/w in methoxyethanol,tetrakis 2-methoxyethoxy cerium iv,cerium 4+ tetrakis 2-methoxyethan-1-olate,cerium iv methoxyethoxide in methoxyethanol |
| IUPAC Name | cerium(4+);2-methoxyethanolate |
| InChI Key | JRRALIVAHBLZSS-UHFFFAOYSA-N |
| Molecular Formula | C12H28CeO8 |
2',4'-Dimethylacetophenone, 95%
CAS: 89-74-7 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00003571 InChI Key: HSDSKVWQTONQBJ-UHFFFAOYSA-N Synonym: 2',4'-dimethylacetophenone,1-2,4-dimethylphenyl ethanone,2,4-dimethylacetophenone,4-acetyl-m-xylene,ethanone, 1-2,4-dimethylphenyl,acetyl-m-xylene,1-2,4-dimethylphenyl ethan-1-one,acetophenone, 2',4'-dimethyl,unii-8k29me27ya,methyl 2,4-dimethylphenyl ketone PubChem CID: 6985 IUPAC Name: 1-(2,4-dimethylphenyl)ethanone SMILES: CC1=CC(=C(C=C1)C(=O)C)C
| PubChem CID | 6985 |
|---|---|
| CAS | 89-74-7 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00003571 |
| SMILES | CC1=CC(=C(C=C1)C(=O)C)C |
| Synonym | 2',4'-dimethylacetophenone,1-2,4-dimethylphenyl ethanone,2,4-dimethylacetophenone,4-acetyl-m-xylene,ethanone, 1-2,4-dimethylphenyl,acetyl-m-xylene,1-2,4-dimethylphenyl ethan-1-one,acetophenone, 2',4'-dimethyl,unii-8k29me27ya,methyl 2,4-dimethylphenyl ketone |
| IUPAC Name | 1-(2,4-dimethylphenyl)ethanone |
| InChI Key | HSDSKVWQTONQBJ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Di-n-butyl ether, 99+%, extra pure
CAS: 142-96-1 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00009461 InChI Key: DURPTKYDGMDSBL-UHFFFAOYSA-N Synonym: di-n-butyl ether,butyl ether,dibutyl ether,butane, 1,1'-oxybis,n-butyl ether,dibutyl oxide,butyl oxide,ether butylique,1,1'-oxybis butane,di-n-butylether PubChem CID: 8909 IUPAC Name: 1-butoxybutane SMILES: CCCCOCCCC
| PubChem CID | 8909 |
|---|---|
| CAS | 142-96-1 |
| Molecular Weight (g/mol) | 130.23 |
| MDL Number | MFCD00009461 |
| SMILES | CCCCOCCCC |
| Synonym | di-n-butyl ether,butyl ether,dibutyl ether,butane, 1,1'-oxybis,n-butyl ether,dibutyl oxide,butyl oxide,ether butylique,1,1'-oxybis butane,di-n-butylether |
| IUPAC Name | 1-butoxybutane |
| InChI Key | DURPTKYDGMDSBL-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
3-Chloro-2-methoxypyridine-4-boronic acid, 95%, Thermo Scientific™
CAS: 957060-88-7 Molecular Formula: C6H7BClNO3 Molecular Weight (g/mol): 187.39 MDL Number: MFCD06798255 InChI Key: YQNAXOGPSUVHNU-UHFFFAOYSA-N Synonym: 3-chloro-2-methoxypyridine-4-boronic acid,3-chloro-2-methoxypyridin-4-yl boronic acid,3-chloro-2-methoxypyridin-4-ylboronicacid,2-methoxy-3-chloropyridine-4-boronic acid,3-chloro-2-methoxy-4-pyridineboronic acid,pubchem17058,abbypharma ap-17-5909,3-chloro-2-methoxypyrdine-4-boronic acid,boronic acid, b-3-chloro-2-methoxy-4-pyridinyl PubChem CID: 44119809 IUPAC Name: (3-chloro-2-methoxypyridin-4-yl)boronic acid SMILES: COC1=NC=CC(B(O)O)=C1Cl
| PubChem CID | 44119809 |
|---|---|
| CAS | 957060-88-7 |
| Molecular Weight (g/mol) | 187.39 |
| MDL Number | MFCD06798255 |
| SMILES | COC1=NC=CC(B(O)O)=C1Cl |
| Synonym | 3-chloro-2-methoxypyridine-4-boronic acid,3-chloro-2-methoxypyridin-4-yl boronic acid,3-chloro-2-methoxypyridin-4-ylboronicacid,2-methoxy-3-chloropyridine-4-boronic acid,3-chloro-2-methoxy-4-pyridineboronic acid,pubchem17058,abbypharma ap-17-5909,3-chloro-2-methoxypyrdine-4-boronic acid,boronic acid, b-3-chloro-2-methoxy-4-pyridinyl |
| IUPAC Name | (3-chloro-2-methoxypyridin-4-yl)boronic acid |
| InChI Key | YQNAXOGPSUVHNU-UHFFFAOYSA-N |
| Molecular Formula | C6H7BClNO3 |
1-Chloro-2-methyl-2-propanol, 98%
CAS: 558-42-9 Molecular Formula: C4H9ClO Molecular Weight (g/mol): 108.57 MDL Number: MFCD00021807 InChI Key: JNOZGFXJZQXOSU-UHFFFAOYSA-N Synonym: 1-chloro-2-methyl-2-propanol,chloro-tert-butanol,2-propanol, 1-chloro-2-methyl,1-chloro-tert-butyl alcohol,2-chloro-tert-butyl alcohol,1-chloro-2-methyl-propan-2-ol,pubchem3675,1-chloro-2-isobutanol,acmc-209lpr,chloro-tert-butyl alcohol PubChem CID: 68409 IUPAC Name: 1-chloro-2-methylpropan-2-ol SMILES: CC(C)(O)CCl
| PubChem CID | 68409 |
|---|---|
| CAS | 558-42-9 |
| Molecular Weight (g/mol) | 108.57 |
| MDL Number | MFCD00021807 |
| SMILES | CC(C)(O)CCl |
| Synonym | 1-chloro-2-methyl-2-propanol,chloro-tert-butanol,2-propanol, 1-chloro-2-methyl,1-chloro-tert-butyl alcohol,2-chloro-tert-butyl alcohol,1-chloro-2-methyl-propan-2-ol,pubchem3675,1-chloro-2-isobutanol,acmc-209lpr,chloro-tert-butyl alcohol |
| IUPAC Name | 1-chloro-2-methylpropan-2-ol |
| InChI Key | JNOZGFXJZQXOSU-UHFFFAOYSA-N |
| Molecular Formula | C4H9ClO |
Zirconium(IV) tert-butoxide, 97+%, Thermo Scientific Chemicals
CAS: 2081-12-1 Molecular Formula: C16H40O4Zr Molecular Weight (g/mol): 387.72 MDL Number: MFCD00075085 InChI Key: WRMYASGYMABHCC-UHFFFAOYSA-N Synonym: zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium PubChem CID: 25203936 IUPAC Name: 2-methylpropan-2-ol;zirconium SMILES: CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr]
| PubChem CID | 25203936 |
|---|---|
| CAS | 2081-12-1 |
| Molecular Weight (g/mol) | 387.72 |
| MDL Number | MFCD00075085 |
| SMILES | CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.CC(C)(C)O.[Zr] |
| Synonym | zirconium iv tert-butoxide,2-methylpropan-2-ol; zirconium |
| IUPAC Name | 2-methylpropan-2-ol;zirconium |
| InChI Key | WRMYASGYMABHCC-UHFFFAOYSA-N |
| Molecular Formula | C16H40O4Zr |
3,4-diethoxycyclobut-3-ene-1,2-dione, Thermo Scientific™
CAS: 5231-87-8 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.164 InChI Key: DFSFLZCLKYZYRD-UHFFFAOYSA-N Synonym: 3,4-diethoxy-3-cyclobutene-1,2-dione,diethyl squarate,squaric acid diethyl ester,3-cyclobutene-1,2-dione, 3,4-diethoxy,diethoxycyclobutenedione,diethoxycyclobut-3-ene-1,2-dione,1,2-diethoxycyclobutenedione,3,4-diethoxy-cyclobut-3-ene-1,2-dione,pubchem9741,acmc-209kyn PubChem CID: 123228 IUPAC Name: 3,4-diethoxycyclobut-3-ene-1,2-dione SMILES: CCOC1=C(C(=O)C1=O)OCC
| PubChem CID | 123228 |
|---|---|
| CAS | 5231-87-8 |
| Molecular Weight (g/mol) | 170.164 |
| SMILES | CCOC1=C(C(=O)C1=O)OCC |
| Synonym | 3,4-diethoxy-3-cyclobutene-1,2-dione,diethyl squarate,squaric acid diethyl ester,3-cyclobutene-1,2-dione, 3,4-diethoxy,diethoxycyclobutenedione,diethoxycyclobut-3-ene-1,2-dione,1,2-diethoxycyclobutenedione,3,4-diethoxy-cyclobut-3-ene-1,2-dione,pubchem9741,acmc-209kyn |
| IUPAC Name | 3,4-diethoxycyclobut-3-ene-1,2-dione |
| InChI Key | DFSFLZCLKYZYRD-UHFFFAOYSA-N |
| Molecular Formula | C8H10O4 |
2-Fluoro-6-methoxypyridine, 97%, Thermo Scientific Chemicals
CAS: 116241-61-3 Molecular Formula: C6H6FNO Molecular Weight (g/mol): 127.118 MDL Number: MFCD09998161 InChI Key: PKZOFECOOLMHMG-UHFFFAOYSA-N PubChem CID: 14296367 IUPAC Name: 2-fluoro-6-methoxypyridine SMILES: COC1=NC(=CC=C1)F
| PubChem CID | 14296367 |
|---|---|
| CAS | 116241-61-3 |
| Molecular Weight (g/mol) | 127.118 |
| MDL Number | MFCD09998161 |
| SMILES | COC1=NC(=CC=C1)F |
| IUPAC Name | 2-fluoro-6-methoxypyridine |
| InChI Key | PKZOFECOOLMHMG-UHFFFAOYSA-N |
| Molecular Formula | C6H6FNO |
4-Bromo-3-fluoroacetophenone, 96%, Thermo Scientific Chemicals
CAS: 304445-49-6 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 MDL Number: MFCD00466241 InChI Key: VCTWSAITPPCBHI-UHFFFAOYSA-N Synonym: 1-4-bromo-3-fluorophenyl ethanone,4'-bromo-3'-fluoroacetophenone,3-fluoro-4-bromo-acetophenone,1-4-bromo-3-fluorophenyl ethan-1-one,4-bromo-3-fluoroacetophenone,4-bromo-3-fluoro-acetophenone,ksc915o9p,3'-fluoro-4'-bromo-acetophenone,1-4-bromo-3-fluoro-phenyl-ethanone PubChem CID: 22831914 IUPAC Name: 1-(4-bromo-3-fluorophenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)Br)F
| PubChem CID | 22831914 |
|---|---|
| CAS | 304445-49-6 |
| Molecular Weight (g/mol) | 217.037 |
| MDL Number | MFCD00466241 |
| SMILES | CC(=O)C1=CC(=C(C=C1)Br)F |
| Synonym | 1-4-bromo-3-fluorophenyl ethanone,4'-bromo-3'-fluoroacetophenone,3-fluoro-4-bromo-acetophenone,1-4-bromo-3-fluorophenyl ethan-1-one,4-bromo-3-fluoroacetophenone,4-bromo-3-fluoro-acetophenone,ksc915o9p,3'-fluoro-4'-bromo-acetophenone,1-4-bromo-3-fluoro-phenyl-ethanone |
| IUPAC Name | 1-(4-bromo-3-fluorophenyl)ethanone |
| InChI Key | VCTWSAITPPCBHI-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
n-Amyl Alcohol, 99.5%, MP Biomedicals
CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N Synonym: 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol PubChem CID: 6276 ChEBI: CHEBI:44884 IUPAC Name: pentan-1-ol SMILES: CCCCCO
| PubChem CID | 6276 |
|---|---|
| CAS | 71-41-0 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:44884 |
| MDL Number | MFCD00002977,MFCD00081734,MFCD01075169 |
| SMILES | CCCCCO |
| Synonym | 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol |
| IUPAC Name | pentan-1-ol |
| InChI Key | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Diethyl allylmalonate, 97%
CAS: 2049-80-1 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.23 MDL Number: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonym: diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid PubChem CID: 74900 IUPAC Name: diethyl 2-prop-2-enylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC
| PubChem CID | 74900 |
|---|---|
| CAS | 2049-80-1 |
| Molecular Weight (g/mol) | 200.23 |
| MDL Number | MFCD00009155 |
| SMILES | CCOC(=O)C(CC=C)C(=O)OCC |
| Synonym | diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid |
| IUPAC Name | diethyl 2-prop-2-enylpropanedioate |
| InChI Key | GDWAYKGILJJNBB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
Methyl 2-oxoindane-1-carboxylate, 97%
CAS: 104620-34-0 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD06200715 InChI Key: RWSYHHRDYRDVQL-UHFFFAOYSA-N Synonym: methyl 2-oxo-1-indanecarboxylate,methyl 2-oxoindane-1-carboxylate,methyl2-oxo-1-indanecarboxylate,methyl 2-oxo-2,3-dihydro-1h-indene-1-carboxylate,1h-indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-20agv9,1-methoxycarbonyl-2-indanone,2-oxo-indan-1-carboxylic acid methyl ester,2-oxo-1,3-dihydro-indene-1-carboxylic acid methyl ester PubChem CID: 10888732 IUPAC Name: methyl 2-oxo-1,3-dihydroindene-1-carboxylate SMILES: COC(=O)C1C(=O)CC2=CC=CC=C12
| PubChem CID | 10888732 |
|---|---|
| CAS | 104620-34-0 |
| Molecular Weight (g/mol) | 190.198 |
| MDL Number | MFCD06200715 |
| SMILES | COC(=O)C1C(=O)CC2=CC=CC=C12 |
| Synonym | methyl 2-oxo-1-indanecarboxylate,methyl 2-oxoindane-1-carboxylate,methyl2-oxo-1-indanecarboxylate,methyl 2-oxo-2,3-dihydro-1h-indene-1-carboxylate,1h-indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-20agv9,1-methoxycarbonyl-2-indanone,2-oxo-indan-1-carboxylic acid methyl ester,2-oxo-1,3-dihydro-indene-1-carboxylic acid methyl ester |
| IUPAC Name | methyl 2-oxo-1,3-dihydroindene-1-carboxylate |
| InChI Key | RWSYHHRDYRDVQL-UHFFFAOYSA-N |
| Molecular Formula | C11H10O3 |