Organooxygen compounds
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2,2,4-Trimethyl-1,3-pentanediol 97.0+%, TCI America™
CAS: 144-19-4 Molecular Formula: C8H18O2 Molecular Weight (g/mol): 146.23 MDL Number: MFCD00004681 InChI Key: JCTXKRPTIMZBJT-UHFFFAOYNA-N Synonym: 2,2,4-trimethyl-1,3-pentanediol,tmpd,1,3-pentanediol, 2,2,4-trimethyl,tmpd alcohol,caswell no. 893,tmpd glycol,epa pesticide chemical code 041002,2,2,4-trimethyl pentanediol-1,3,trimethyl-1,3-pentanediol,acmc-1brgn PubChem CID: 8946 IUPAC Name: 2,2,4-trimethylpentane-1,3-diol SMILES: CC(C)C(O)C(C)(C)CO
| PubChem CID | 8946 |
|---|---|
| CAS | 144-19-4 |
| Molecular Weight (g/mol) | 146.23 |
| MDL Number | MFCD00004681 |
| SMILES | CC(C)C(O)C(C)(C)CO |
| Synonym | 2,2,4-trimethyl-1,3-pentanediol,tmpd,1,3-pentanediol, 2,2,4-trimethyl,tmpd alcohol,caswell no. 893,tmpd glycol,epa pesticide chemical code 041002,2,2,4-trimethyl pentanediol-1,3,trimethyl-1,3-pentanediol,acmc-1brgn |
| IUPAC Name | 2,2,4-trimethylpentane-1,3-diol |
| InChI Key | JCTXKRPTIMZBJT-UHFFFAOYNA-N |
| Molecular Formula | C8H18O2 |
3'-Bromo-4'-methylacetophenone 98.0+%, TCI America™
CAS: 40180-80-1 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD02683854 InChI Key: PDJLFESXPVLVMR-UHFFFAOYSA-N PubChem CID: 3309401 IUPAC Name: 1-(3-bromo-4-methylphenyl)ethanone SMILES: CC1=C(C=C(C=C1)C(=O)C)Br
| PubChem CID | 3309401 |
|---|---|
| CAS | 40180-80-1 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD02683854 |
| SMILES | CC1=C(C=C(C=C1)C(=O)C)Br |
| IUPAC Name | 1-(3-bromo-4-methylphenyl)ethanone |
| InChI Key | PDJLFESXPVLVMR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
| PubChem CID | 2762707 |
|---|---|
| CAS | 221006-70-8 |
| Molecular Weight (g/mol) | 182.97 |
| MDL Number | MFCD03788239 |
| Color | White |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=C(N=C(C=C1)OC)OC)(O)O |
| TSCA | No |
| IUPAC Name | (2,6-dimethoxypyridin-3-yl)boronic acid |
| InChI Key | ADGHSWFUZUADDH-UHFFFAOYSA-N |
| Molecular Formula | C7H10BNO4 |
| Formula Weight | 182.97 |
| Melting Point | 109°C |
1,1,3,3-Tetrabromoacetone 98.0+%, TCI America™
CAS: 22612-89-1 Molecular Formula: C3H2Br4O Molecular Weight (g/mol): 373.664 MDL Number: MFCD00059470 InChI Key: SAMNBOHOBWEEEU-UHFFFAOYSA-N Synonym: 1,1,3,3-Tetrabromo-2-propanone PubChem CID: 608441 IUPAC Name: 1,1,3,3-tetrabromopropan-2-one SMILES: C(C(=O)C(Br)Br)(Br)Br
| PubChem CID | 608441 |
|---|---|
| CAS | 22612-89-1 |
| Molecular Weight (g/mol) | 373.664 |
| MDL Number | MFCD00059470 |
| SMILES | C(C(=O)C(Br)Br)(Br)Br |
| Synonym | 1,1,3,3-Tetrabromo-2-propanone |
| IUPAC Name | 1,1,3,3-tetrabromopropan-2-one |
| InChI Key | SAMNBOHOBWEEEU-UHFFFAOYSA-N |
| Molecular Formula | C3H2Br4O |
1,2-Tetradecanediol 90.0+%, TCI America™
CAS: 21129-09-9 Molecular Formula: C14H30O2 Molecular Weight (g/mol): 230.392 MDL Number: MFCD00009986 InChI Key: DWANEFRJKWXRSG-UHFFFAOYSA-N Synonym: 1,2-Dihydroxytetradecane PubChem CID: 89436 ChEBI: CHEBI:84951 IUPAC Name: tetradecane-1,2-diol SMILES: CCCCCCCCCCCCC(CO)O
| PubChem CID | 89436 |
|---|---|
| CAS | 21129-09-9 |
| Molecular Weight (g/mol) | 230.392 |
| ChEBI | CHEBI:84951 |
| MDL Number | MFCD00009986 |
| SMILES | CCCCCCCCCCCCC(CO)O |
| Synonym | 1,2-Dihydroxytetradecane |
| IUPAC Name | tetradecane-1,2-diol |
| InChI Key | DWANEFRJKWXRSG-UHFFFAOYSA-N |
| Molecular Formula | C14H30O2 |
2-Mercaptoethanol 98.0+%, TCI America™
CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 IUPAC Name: 2-sulfanylethan-1-ol SMILES: OCCS
| PubChem CID | 1567 |
|---|---|
| CAS | 60-24-2 |
| Molecular Weight (g/mol) | 78.13 |
| ChEBI | CHEBI:41218 |
| MDL Number | MFCD00004890 |
| SMILES | OCCS |
| Synonym | 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan |
| IUPAC Name | 2-sulfanylethan-1-ol |
| InChI Key | DGVVWUTYPXICAM-UHFFFAOYSA-N |
| Molecular Formula | C2H6OS |
4-Benzyloxybenzaldehyde, TCI America™
CAS: 4397-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003387,MFCD01632880 InChI Key: ZVTWZSXLLMNMQC-UHFFFAOYSA-N Synonym: 4-benzyloxybenzaldehyde,4-benzyloxy benzaldehyde,benzaldehyde, 4-phenylmethoxy,p-benzyloxy benzaldehyde,benzaldehyde, p-benzyloxy,4-benzyloxy-benzaldehyde,4-phenylmethoxy benzaldehyde,4-benzyl-oxy benzaldehyde,wang aldehyde resin PubChem CID: 78109 IUPAC Name: 4-(benzyloxy)benzaldehyde SMILES: O=CC1=CC=C(OCC2=CC=CC=C2)C=C1
| PubChem CID | 78109 |
|---|---|
| CAS | 4397-53-9 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00003387,MFCD01632880 |
| SMILES | O=CC1=CC=C(OCC2=CC=CC=C2)C=C1 |
| Synonym | 4-benzyloxybenzaldehyde,4-benzyloxy benzaldehyde,benzaldehyde, 4-phenylmethoxy,p-benzyloxy benzaldehyde,benzaldehyde, p-benzyloxy,4-benzyloxy-benzaldehyde,4-phenylmethoxy benzaldehyde,4-benzyl-oxy benzaldehyde,wang aldehyde resin |
| IUPAC Name | 4-(benzyloxy)benzaldehyde |
| InChI Key | ZVTWZSXLLMNMQC-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
Tropaeolin O, TCI America™
CAS: 547-57-9 Molecular Formula: C12H10N2NaO5S Molecular Weight (g/mol): 317.271 MDL Number: MFCD00007499 InChI Key: YOGUPPQYRWYKGT-IRIIKGHASA-N Synonym: tropaeolin o PubChem CID: 87071197 IUPAC Name: 4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid;sodium SMILES: C1=CC(=CC=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)O.[Na]
| PubChem CID | 87071197 |
|---|---|
| CAS | 547-57-9 |
| Molecular Weight (g/mol) | 317.271 |
| MDL Number | MFCD00007499 |
| SMILES | C1=CC(=CC=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)O.[Na] |
| Synonym | tropaeolin o |
| IUPAC Name | 4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid;sodium |
| InChI Key | YOGUPPQYRWYKGT-IRIIKGHASA-N |
| Molecular Formula | C12H10N2NaO5S |
2',4'-Difluoropropiophenone 98.0+%, TCI America™
CAS: 85068-30-0 Molecular Formula: C9H8F2O Molecular Weight (g/mol): 170.16 MDL Number: MFCD00015507 InChI Key: UZWOADNMVRRYDE-UHFFFAOYSA-N Synonym: 2',4'-difluoropropiophenone,1-2,4-difluorophenyl propan-1-one,2,4-difluoropropiophenone,1-propanone, 1-2,4-difluorophenyl,2,4-defluoropropiophenone,1-2,4-difluorophenyl-1-propanone,1-2.4-difluoro-phenyl-propan-1-one,acmc-209q3o,ksc654a2r PubChem CID: 123586 IUPAC Name: 1-(2,4-difluorophenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(F)C=C1F
| PubChem CID | 123586 |
|---|---|
| CAS | 85068-30-0 |
| Molecular Weight (g/mol) | 170.16 |
| MDL Number | MFCD00015507 |
| SMILES | CCC(=O)C1=CC=C(F)C=C1F |
| Synonym | 2',4'-difluoropropiophenone,1-2,4-difluorophenyl propan-1-one,2,4-difluoropropiophenone,1-propanone, 1-2,4-difluorophenyl,2,4-defluoropropiophenone,1-2,4-difluorophenyl-1-propanone,1-2.4-difluoro-phenyl-propan-1-one,acmc-209q3o,ksc654a2r |
| IUPAC Name | 1-(2,4-difluorophenyl)propan-1-one |
| InChI Key | UZWOADNMVRRYDE-UHFFFAOYSA-N |
| Molecular Formula | C9H8F2O |
5-Chloro-1-methylisatin 98.0+%, TCI America™
CAS: 60434-13-1 Molecular Formula: C9H6ClNO2 Molecular Weight (g/mol): 195.60 MDL Number: MFCD02956479 InChI Key: NJOPQQPDPYWFFA-UHFFFAOYSA-N Synonym: 5-Chloro-1-methylindole-2,3-dione, 5-Chloro-1-methyl-2,3-indolinedione PubChem CID: 108941 IUPAC Name: 5-chloro-1-methyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CN1C(=O)C(=O)C2=CC(Cl)=CC=C12
| PubChem CID | 108941 |
|---|---|
| CAS | 60434-13-1 |
| Molecular Weight (g/mol) | 195.60 |
| MDL Number | MFCD02956479 |
| SMILES | CN1C(=O)C(=O)C2=CC(Cl)=CC=C12 |
| Synonym | 5-Chloro-1-methylindole-2,3-dione, 5-Chloro-1-methyl-2,3-indolinedione |
| IUPAC Name | 5-chloro-1-methyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | NJOPQQPDPYWFFA-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO2 |
4-Acetyl-4'-methylbiphenyl 98.0+%, TCI America™
CAS: 5748-38-9 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00191374 InChI Key: GNIQQKORSMFYPE-UHFFFAOYSA-N Synonym: 4-Acetyl-4′C-methyldiphenyl PubChem CID: 4301905 IUPAC Name: 1-[4-(4-methylphenyl)phenyl]ethanone SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C
| PubChem CID | 4301905 |
|---|---|
| CAS | 5748-38-9 |
| Molecular Weight (g/mol) | 210.276 |
| MDL Number | MFCD00191374 |
| SMILES | CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C |
| Synonym | 4-Acetyl-4′C-methyldiphenyl |
| IUPAC Name | 1-[4-(4-methylphenyl)phenyl]ethanone |
| InChI Key | GNIQQKORSMFYPE-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
Ethyl Isopropyl Ether 98.0+%, TCI America™
CAS: 625-54-7 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00043532 InChI Key: XSJVWZAETSBXKU-UHFFFAOYSA-N Synonym: 2-Ethoxypropane PubChem CID: 12256 IUPAC Name: 2-ethoxypropane SMILES: CCOC(C)C
| PubChem CID | 12256 |
|---|---|
| CAS | 625-54-7 |
| Molecular Weight (g/mol) | 88.15 |
| MDL Number | MFCD00043532 |
| SMILES | CCOC(C)C |
| Synonym | 2-Ethoxypropane |
| IUPAC Name | 2-ethoxypropane |
| InChI Key | XSJVWZAETSBXKU-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Ethylene Glycol Monovinyl Ether (stabilized with KOH) 98.0+%, TCI America™
CAS: 764-48-7 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00192151 InChI Key: VUIWJRYTWUGOOF-UHFFFAOYSA-N Synonym: Vinyl Cellosolve, Vinyl Glycol, 2-Vinyloxyethanol PubChem CID: 12995 IUPAC Name: 2-ethenoxyethanol SMILES: C=COCCO
| PubChem CID | 12995 |
|---|---|
| CAS | 764-48-7 |
| Molecular Weight (g/mol) | 88.106 |
| MDL Number | MFCD00192151 |
| SMILES | C=COCCO |
| Synonym | Vinyl Cellosolve, Vinyl Glycol, 2-Vinyloxyethanol |
| IUPAC Name | 2-ethenoxyethanol |
| InChI Key | VUIWJRYTWUGOOF-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
3-Ethoxysalicylaldehyde 97.0+%, TCI America™
CAS: 492-88-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00003323 InChI Key: OFQBYHLLIJGMNP-UHFFFAOYSA-N Synonym: 3-ethoxysalicylaldehyde,benzaldehyde, 3-ethoxy-2-hydroxy,novovanillin,o-ethylvanillin,salicylaldehyde, 3-ethoxy,unii-hb4h48mkni,2-hydroxy-3-ethoxybenzaldehyde,hb4h48mkni,3-ethoxy-2-hydroxy-benzaldehyde,pubchem3123 PubChem CID: 68117 IUPAC Name: 3-ethoxy-2-hydroxybenzaldehyde SMILES: CCOC1=CC=CC(=C1O)C=O
| PubChem CID | 68117 |
|---|---|
| CAS | 492-88-6 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00003323 |
| SMILES | CCOC1=CC=CC(=C1O)C=O |
| Synonym | 3-ethoxysalicylaldehyde,benzaldehyde, 3-ethoxy-2-hydroxy,novovanillin,o-ethylvanillin,salicylaldehyde, 3-ethoxy,unii-hb4h48mkni,2-hydroxy-3-ethoxybenzaldehyde,hb4h48mkni,3-ethoxy-2-hydroxy-benzaldehyde,pubchem3123 |
| IUPAC Name | 3-ethoxy-2-hydroxybenzaldehyde |
| InChI Key | OFQBYHLLIJGMNP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Methylpentane-2,4-diol 99.0+%, TCI America™
CAS: 107-41-5 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00004547 InChI Key: SVTBMSDMJJWYQN-UHFFFAOYSA-N Synonym: hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol PubChem CID: 7870 ChEBI: CHEBI:62995 IUPAC Name: 2-methylpentane-2,4-diol SMILES: CC(CC(C)(C)O)O
| PubChem CID | 7870 |
|---|---|
| CAS | 107-41-5 |
| Molecular Weight (g/mol) | 118.176 |
| ChEBI | CHEBI:62995 |
| MDL Number | MFCD00004547 |
| SMILES | CC(CC(C)(C)O)O |
| Synonym | hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol |
| IUPAC Name | 2-methylpentane-2,4-diol |
| InChI Key | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |