Organooxygen compounds
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Oleyl Alcohol, Approx. 99%, MP Biomedicals™
CAS: 143-28-2 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.49 MDL Number: MFCD00002993 InChI Key: ALSTYHKOOCGGFT-KTKRTIGZSA-N Synonym: oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol PubChem CID: 5284499 ChEBI: CHEBI:73504 IUPAC Name: (9Z)-octadec-9-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCO
| PubChem CID | 5284499 |
|---|---|
| CAS | 143-28-2 |
| Molecular Weight (g/mol) | 268.49 |
| ChEBI | CHEBI:73504 |
| MDL Number | MFCD00002993 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCO |
| Synonym | oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol |
| IUPAC Name | (9Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
4-(Phenoxymethyl)benzaldehyde, 97%, Thermo Scientific™
CAS: 2683-70-7 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD09879939 InChI Key: JLGXYDMVIJFOKF-UHFFFAOYSA-N Synonym: 4-phenoxymethyl benzaldehyde,benzaldehyde,4-phenoxymethyl,4-phenoxymethyl-benzaldehyde PubChem CID: 12106287 IUPAC Name: 4-(phenoxymethyl)benzaldehyde SMILES: O=CC1=CC=C(COC2=CC=CC=C2)C=C1
| PubChem CID | 12106287 |
|---|---|
| CAS | 2683-70-7 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD09879939 |
| SMILES | O=CC1=CC=C(COC2=CC=CC=C2)C=C1 |
| Synonym | 4-phenoxymethyl benzaldehyde,benzaldehyde,4-phenoxymethyl,4-phenoxymethyl-benzaldehyde |
| IUPAC Name | 4-(phenoxymethyl)benzaldehyde |
| InChI Key | JLGXYDMVIJFOKF-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
2,4-dimethyl-3-furaldehyde, Thermo Scientific™
CAS: 75002-34-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 InChI Key: MGSAYHDYMMHZQE-UHFFFAOYSA-N Synonym: 2,4-dimethyl-3-furaldehyde,3-furancarbaldehyde,2,4-dimethyl,3-furancarboxaldehyde,2,4-dimethyl,3-furancarboxaldehyde, 2,4-dimethyl-9ci PubChem CID: 21702758 IUPAC Name: 2,4-dimethylfuran-3-carbaldehyde SMILES: CC1=COC(=C1C=O)C
| PubChem CID | 21702758 |
|---|---|
| CAS | 75002-34-5 |
| Molecular Weight (g/mol) | 124.139 |
| SMILES | CC1=COC(=C1C=O)C |
| Synonym | 2,4-dimethyl-3-furaldehyde,3-furancarbaldehyde,2,4-dimethyl,3-furancarboxaldehyde,2,4-dimethyl,3-furancarboxaldehyde, 2,4-dimethyl-9ci |
| IUPAC Name | 2,4-dimethylfuran-3-carbaldehyde |
| InChI Key | MGSAYHDYMMHZQE-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
2',3'-Difluoroacetophenone, 97%
CAS: 18355-80-1 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00061274 InChI Key: PQUXFUBNSYCQAL-UHFFFAOYSA-N Synonym: 2',3'-difluoroacetophenone,1-2,3-difluorophenyl ethanone,2,3-difluoroacetophenone,1-2,3-difluorophenyl ethan-1-one,ethanone, 1-2,3-difluorophenyl,1-acetyl-2,3-difluorobenzene,pubchem4211,acmc-209x0g,ksc184c5n,2',3'-difluoro acetophenone PubChem CID: 519550 SMILES: CC(=O)C1=CC=CC(F)=C1F
| PubChem CID | 519550 |
|---|---|
| CAS | 18355-80-1 |
| Molecular Weight (g/mol) | 156.13 |
| MDL Number | MFCD00061274 |
| SMILES | CC(=O)C1=CC=CC(F)=C1F |
| Synonym | 2',3'-difluoroacetophenone,1-2,3-difluorophenyl ethanone,2,3-difluoroacetophenone,1-2,3-difluorophenyl ethan-1-one,ethanone, 1-2,3-difluorophenyl,1-acetyl-2,3-difluorobenzene,pubchem4211,acmc-209x0g,ksc184c5n,2',3'-difluoro acetophenone |
| InChI Key | PQUXFUBNSYCQAL-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
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 |
Quinoline-4-carboxaldehyde, 97+%
CAS: 4363-93-3 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.17 MDL Number: MFCD00006781 InChI Key: MGCGJBXTNWUHQE-UHFFFAOYSA-N Synonym: 4-quinolinecarboxaldehyde,4-quinolinecarbaldehyde,cinchoninaldehyde,quinoline-4-carboxaldehyde,4-formylquinoline,unii-3a0k4yx051,chinolin-4-aldehyd,quinoline-4-aldehyde,4quinolinecarboxaldehyde PubChem CID: 78072 IUPAC Name: quinoline-4-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=NC=C1
| PubChem CID | 78072 |
|---|---|
| CAS | 4363-93-3 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00006781 |
| SMILES | O=CC1=C2C=CC=CC2=NC=C1 |
| Synonym | 4-quinolinecarboxaldehyde,4-quinolinecarbaldehyde,cinchoninaldehyde,quinoline-4-carboxaldehyde,4-formylquinoline,unii-3a0k4yx051,chinolin-4-aldehyd,quinoline-4-aldehyde,4quinolinecarboxaldehyde |
| IUPAC Name | quinoline-4-carbaldehyde |
| InChI Key | MGCGJBXTNWUHQE-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
Acetoacetamide, 97%
CAS: 5977-14-0 InChI Key: GCPWJFKTWGFEHH-UHFFFAOYSA-N Synonym: acetoacetamide,acetylacetamide,acetoacetic acid amide,butanamide, 3-oxo,3-oxobutanamid,unii-6o9u7cfy0t,6o9u7cfy0t,3-oxobutyramide,acmc-20alv9 PubChem CID: 80077 ChEBI: CHEBI:28515 IUPAC Name: 3-oxobutanamide SMILES: CC(=O)CC(=O)N
| PubChem CID | 80077 |
|---|---|
| CAS | 5977-14-0 |
| ChEBI | CHEBI:28515 |
| SMILES | CC(=O)CC(=O)N |
| Synonym | acetoacetamide,acetylacetamide,acetoacetic acid amide,butanamide, 3-oxo,3-oxobutanamid,unii-6o9u7cfy0t,6o9u7cfy0t,3-oxobutyramide,acmc-20alv9 |
| IUPAC Name | 3-oxobutanamide |
| InChI Key | GCPWJFKTWGFEHH-UHFFFAOYSA-N |
2-Hydroxy-5-methylbenzaldehyde, 99%
CAS: 613-84-3 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00274297 InChI Key: ILEIUTCVWLYZOM-UHFFFAOYSA-N Synonym: 5-methylsalicylaldehyde,benzaldehyde, 2-hydroxy-5-methyl,2,5-cresotaldehyde,5-methylsalicylic aldehyde,2-hydroxy-5-methyl-benzaldehyde,5methylsalicylaldehyde,pubchem15680,5-methyl salicylaldehyde,4-hydroxy-m-tolualdehyde,acmc-1bh2k PubChem CID: 69184 IUPAC Name: 2-hydroxy-5-methylbenzaldehyde SMILES: CC1=CC=C(O)C(C=O)=C1
| PubChem CID | 69184 |
|---|---|
| CAS | 613-84-3 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00274297 |
| SMILES | CC1=CC=C(O)C(C=O)=C1 |
| Synonym | 5-methylsalicylaldehyde,benzaldehyde, 2-hydroxy-5-methyl,2,5-cresotaldehyde,5-methylsalicylic aldehyde,2-hydroxy-5-methyl-benzaldehyde,5methylsalicylaldehyde,pubchem15680,5-methyl salicylaldehyde,4-hydroxy-m-tolualdehyde,acmc-1bh2k |
| IUPAC Name | 2-hydroxy-5-methylbenzaldehyde |
| InChI Key | ILEIUTCVWLYZOM-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
6-Bromo-1-indanone, 97%
CAS: 14548-39-1 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD02179286 InChI Key: SEQHEDQNODAFIU-UHFFFAOYSA-N Synonym: 6-bromo-1-indanone,6-bromoindanone,6-bromo-2,3-dihydro-1h-inden-1-one,6-bromo-indan-1-one,6-bromoindan-1-one,1-indanone, 6-bromo,1h-inden-1-one, 6-bromo-2,3-dihydro,6-bromo indanone,6-bromo-indanone PubChem CID: 139778 IUPAC Name: 6-bromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=CC(=C2)Br
| PubChem CID | 139778 |
|---|---|
| CAS | 14548-39-1 |
| Molecular Weight (g/mol) | 211.058 |
| MDL Number | MFCD02179286 |
| SMILES | C1CC(=O)C2=C1C=CC(=C2)Br |
| Synonym | 6-bromo-1-indanone,6-bromoindanone,6-bromo-2,3-dihydro-1h-inden-1-one,6-bromo-indan-1-one,6-bromoindan-1-one,1-indanone, 6-bromo,1h-inden-1-one, 6-bromo-2,3-dihydro,6-bromo indanone,6-bromo-indanone |
| IUPAC Name | 6-bromo-2,3-dihydroinden-1-one |
| InChI Key | SEQHEDQNODAFIU-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
(R)-(+)-2-Methoxypropionic acid, 97%
CAS: 23943-96-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD01632582 InChI Key: ICPWFHKNYYRBSZ-GSVOUGTGSA-N Synonym: r-2-methoxypropanoic acid,2r-2-methoxypropanoic acid,unii-ig4dib9v6i,r---2-methoxypropionic acid,propanoic acid, 2-methoxy-, r,2-methoxypropanoic acid, r,r-+-2-methoxypropionic acid,ig4dib9v6i,r-+-2-methoxypropanoic acid,propanoic acid, 2-methoxy-, 2r PubChem CID: 2733584 IUPAC Name: (2R)-2-methoxypropanoic acid SMILES: CC(C(=O)O)OC
| PubChem CID | 2733584 |
|---|---|
| CAS | 23943-96-6 |
| Molecular Weight (g/mol) | 104.11 |
| MDL Number | MFCD01632582 |
| SMILES | CC(C(=O)O)OC |
| Synonym | r-2-methoxypropanoic acid,2r-2-methoxypropanoic acid,unii-ig4dib9v6i,r---2-methoxypropionic acid,propanoic acid, 2-methoxy-, r,2-methoxypropanoic acid, r,r-+-2-methoxypropionic acid,ig4dib9v6i,r-+-2-methoxypropanoic acid,propanoic acid, 2-methoxy-, 2r |
| IUPAC Name | (2R)-2-methoxypropanoic acid |
| InChI Key | ICPWFHKNYYRBSZ-GSVOUGTGSA-N |
| Molecular Formula | C4H8O3 |
5,7-Difluoro-1-indanone, 97%
CAS: 84315-25-3 Molecular Formula: C9H6F2O Molecular Weight (g/mol): 168.14 MDL Number: MFCD09908161 InChI Key: XWZGNWCKXLECBO-UHFFFAOYSA-N Synonym: 5,7-difluoro-1-indanone,5,7-difluoro-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5,7-difluoro-2,3-dihydro,5,7-difluoroindan-1-one,1h-inden-1-one,5,7-difluoro-2,3-dihydro,acmc-20a83k,5,7-difluoro-2,3-dihydro-1h-indene-1-one PubChem CID: 11789595 IUPAC Name: 5,7-difluoro-2,3-dihydroinden-1-one SMILES: FC1=CC(F)=C2C(=O)CCC2=C1
| PubChem CID | 11789595 |
|---|---|
| CAS | 84315-25-3 |
| Molecular Weight (g/mol) | 168.14 |
| MDL Number | MFCD09908161 |
| SMILES | FC1=CC(F)=C2C(=O)CCC2=C1 |
| Synonym | 5,7-difluoro-1-indanone,5,7-difluoro-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5,7-difluoro-2,3-dihydro,5,7-difluoroindan-1-one,1h-inden-1-one,5,7-difluoro-2,3-dihydro,acmc-20a83k,5,7-difluoro-2,3-dihydro-1h-indene-1-one |
| IUPAC Name | 5,7-difluoro-2,3-dihydroinden-1-one |
| InChI Key | XWZGNWCKXLECBO-UHFFFAOYSA-N |
| Molecular Formula | C9H6F2O |
2-Cyclopentyloxypyridine-3-boronic acid pinacol ester, 96%, Thermo Scientific™
CAS: 1073371-90-0 Molecular Formula: C16H24BNO3 Molecular Weight (g/mol): 289.18 MDL Number: MFCD07781170 InChI Key: GZCZGFSEHAZEPS-UHFFFAOYSA-N Synonym: 2-cyclopentyloxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-cyclopentyloxypyridine-3-boronic acid pinacol ester,2-cyclopentyloxy pyridine-3-boronic acid pinacol ester,2-cyclopentyloxy-3-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-cyclopentyloxy pyridine-3-boronic acid, pinacol ester,2-cyclopentyloxy pyridin-3-yl boronic acid pinacol ester PubChem CID: 24208792 IUPAC Name: 2-cyclopentyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: CC1(C)OB(OC1(C)C)C1=C(OC2CCCC2)N=CC=C1
| PubChem CID | 24208792 |
|---|---|
| CAS | 1073371-90-0 |
| Molecular Weight (g/mol) | 289.18 |
| MDL Number | MFCD07781170 |
| SMILES | CC1(C)OB(OC1(C)C)C1=C(OC2CCCC2)N=CC=C1 |
| Synonym | 2-cyclopentyloxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-cyclopentyloxypyridine-3-boronic acid pinacol ester,2-cyclopentyloxy pyridine-3-boronic acid pinacol ester,2-cyclopentyloxy-3-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-cyclopentyloxy pyridine-3-boronic acid, pinacol ester,2-cyclopentyloxy pyridin-3-yl boronic acid pinacol ester |
| IUPAC Name | 2-cyclopentyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | GZCZGFSEHAZEPS-UHFFFAOYSA-N |
| Molecular Formula | C16H24BNO3 |
(+/-)-2-Methyl-1-butanol, 98%
CAS: 137-32-6 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004743 InChI Key: QPRQEDXDYOZYLA-UHFFFAOYSA-N Synonym: 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol PubChem CID: 8723 ChEBI: CHEBI:48945 IUPAC Name: 2-methylbutan-1-ol SMILES: CCC(C)CO
| PubChem CID | 8723 |
|---|---|
| CAS | 137-32-6 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:48945 |
| MDL Number | MFCD00004743 |
| SMILES | CCC(C)CO |
| Synonym | 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol |
| IUPAC Name | 2-methylbutan-1-ol |
| InChI Key | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Methoxyacetic acid, 97%
CAS: 625-45-6 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00004308 InChI Key: RMIODHQZRUFFFF-UHFFFAOYSA-N Synonym: methoxyacetic acid,acetic acid, methoxy,methoxyethanoic acid,acetic acid, 2-methoxy,ch3och2cooh,methoxyacetlc acid,unii-f11t1h7q7w,methoxy acetic acid,methoxy-acetic acid,ccris 6518 PubChem CID: 12251 IUPAC Name: 2-methoxyacetic acid SMILES: COCC(=O)O
| PubChem CID | 12251 |
|---|---|
| CAS | 625-45-6 |
| Molecular Weight (g/mol) | 90.078 |
| MDL Number | MFCD00004308 |
| SMILES | COCC(=O)O |
| Synonym | methoxyacetic acid,acetic acid, methoxy,methoxyethanoic acid,acetic acid, 2-methoxy,ch3och2cooh,methoxyacetlc acid,unii-f11t1h7q7w,methoxy acetic acid,methoxy-acetic acid,ccris 6518 |
| IUPAC Name | 2-methoxyacetic acid |
| InChI Key | RMIODHQZRUFFFF-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3 |