Organooxygen compounds
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3-Methoxypropionic acid, 97+%
CAS: 2544-06-1 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 InChI Key: YSIKHBWUBSFBRZ-UHFFFAOYSA-N PubChem CID: 134442 IUPAC Name: 3-methoxypropanoic acid SMILES: COCCC(=O)O
| PubChem CID | 134442 |
|---|---|
| CAS | 2544-06-1 |
| Molecular Weight (g/mol) | 104.11 |
| SMILES | COCCC(=O)O |
| IUPAC Name | 3-methoxypropanoic acid |
| InChI Key | YSIKHBWUBSFBRZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
Benzoylacetonitrile, 98+%
CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1
| PubChem CID | 64799 |
|---|---|
| CAS | 614-16-4 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:51855 |
| MDL Number | MFCD00001942 |
| SMILES | O=C(CC#N)C1=CC=CC=C1 |
| Synonym | benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile |
| IUPAC Name | 3-oxo-3-phenylpropanenitrile |
| InChI Key | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
L-Asparagine, Monohydrate, FCC, 98-101.5%, Spectrum™ Chemical
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CAS: 5794-13-8 Molecular Formula: C4H10N2O4 Molecular Weight (g/mol): 150.13 InChI Key: RBMGJIZCEWRQES-DKWTVANSSA-N IUPAC Name: (2S)-2-amino-3-carbamoylpropanoic acid hydrate SMILES: O.N[C@@H](CC(N)=O)C(O)=O
| CAS | 5794-13-8 |
|---|---|
| Molecular Weight (g/mol) | 150.13 |
| SMILES | O.N[C@@H](CC(N)=O)C(O)=O |
| IUPAC Name | (2S)-2-amino-3-carbamoylpropanoic acid hydrate |
| InChI Key | RBMGJIZCEWRQES-DKWTVANSSA-N |
| Molecular Formula | C4H10N2O4 |
Butyroin, 97%
CAS: 496-77-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00021928 InChI Key: BVEYJWQCMOVMAR-UHFFFAOYNA-N Synonym: butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone PubChem CID: 219794 IUPAC Name: 5-hydroxyoctan-4-one SMILES: CCCC(O)C(=O)CCC
| PubChem CID | 219794 |
|---|---|
| CAS | 496-77-5 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00021928 |
| SMILES | CCCC(O)C(=O)CCC |
| Synonym | butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone |
| IUPAC Name | 5-hydroxyoctan-4-one |
| InChI Key | BVEYJWQCMOVMAR-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
Pyrrole-2-carboxaldehyde, 99%
CAS: 1003-29-8 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.101 MDL Number: MFCD00005217 InChI Key: ZSKGQVFRTSEPJT-UHFFFAOYSA-N Synonym: pyrrole-2-carboxaldehyde,2-formylpyrrole,1h-pyrrole-2-carboxaldehyde,pyrrole-2-aldehyde,2-pyrrolecarboxaldehyde,pyrrole-2-carbaldehyde,2-pyrrolecarbaldehyde,2-pyrrolylcarboxaldehyde,2-pyrrolaldehyde,alpha-pyrrolaldehyde PubChem CID: 13854 ChEBI: CHEBI:59978 IUPAC Name: 1H-pyrrole-2-carbaldehyde SMILES: C1=CNC(=C1)C=O
| PubChem CID | 13854 |
|---|---|
| CAS | 1003-29-8 |
| Molecular Weight (g/mol) | 95.101 |
| ChEBI | CHEBI:59978 |
| MDL Number | MFCD00005217 |
| SMILES | C1=CNC(=C1)C=O |
| Synonym | pyrrole-2-carboxaldehyde,2-formylpyrrole,1h-pyrrole-2-carboxaldehyde,pyrrole-2-aldehyde,2-pyrrolecarboxaldehyde,pyrrole-2-carbaldehyde,2-pyrrolecarbaldehyde,2-pyrrolylcarboxaldehyde,2-pyrrolaldehyde,alpha-pyrrolaldehyde |
| IUPAC Name | 1H-pyrrole-2-carbaldehyde |
| InChI Key | ZSKGQVFRTSEPJT-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |
1-Bromo-2-(2-methoxyethoxy)ethane, 90%, stabilized with sodium carbonate
CAS: 54149-17-6 Molecular Formula: C5H11BrO2 Molecular Weight (g/mol): 183.05 MDL Number: MFCD00000238 InChI Key: HUXJXNSHCKHFIL-UHFFFAOYSA-N Synonym: 1-bromo-2-2-methoxyethoxy ethane,1-2-bromoethoxy-2-methoxyethane,1-bromo-3,6-dioxaheptane,ethane, 1-2-bromoethoxy-2-methoxy,2-2-methoxyethoxy ethyl bromide,1-2-bromoethoxy-2-methoxy-ethane,1-bromo-2-2-methoxy-ethoxy ethane,mpeg2-br,acmc-1alws,7-bromo-2,5-dioxaheptane PubChem CID: 123532 SMILES: COCCOCCBr
| PubChem CID | 123532 |
|---|---|
| CAS | 54149-17-6 |
| Molecular Weight (g/mol) | 183.05 |
| MDL Number | MFCD00000238 |
| SMILES | COCCOCCBr |
| Synonym | 1-bromo-2-2-methoxyethoxy ethane,1-2-bromoethoxy-2-methoxyethane,1-bromo-3,6-dioxaheptane,ethane, 1-2-bromoethoxy-2-methoxy,2-2-methoxyethoxy ethyl bromide,1-2-bromoethoxy-2-methoxy-ethane,1-bromo-2-2-methoxy-ethoxy ethane,mpeg2-br,acmc-1alws,7-bromo-2,5-dioxaheptane |
| InChI Key | HUXJXNSHCKHFIL-UHFFFAOYSA-N |
| Molecular Formula | C5H11BrO2 |
Hexachloroacetone, 99%
CAS: 116-16-5 Molecular Formula: C3Cl6O Molecular Weight (g/mol): 264.73 MDL Number: MFCD00000796 InChI Key: DOJXGHGHTWFZHK-UHFFFAOYSA-N Synonym: hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro PubChem CID: 8303 ChEBI: CHEBI:82243 IUPAC Name: 1,1,1,3,3,3-hexachloropropan-2-one SMILES: ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
| PubChem CID | 8303 |
|---|---|
| CAS | 116-16-5 |
| Molecular Weight (g/mol) | 264.73 |
| ChEBI | CHEBI:82243 |
| MDL Number | MFCD00000796 |
| SMILES | ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl |
| Synonym | hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro |
| IUPAC Name | 1,1,1,3,3,3-hexachloropropan-2-one |
| InChI Key | DOJXGHGHTWFZHK-UHFFFAOYSA-N |
| Molecular Formula | C3Cl6O |
2-Hydroxyisobutyric acid, 98%
CAS: 594-61-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00004459 InChI Key: BWLBGMIXKSTLSX-UHFFFAOYSA-N Synonym: 2-hydroxyisobutyric acid,2-methyllactic acid,acetonic acid,2-hydroxy-2-methylpropionic acid,alpha-hydroxyisobutyric acid,hydroxydimethylacetic acid,acetonate,propanoic acid, 2-hydroxy-2-methyl,alpha-hydroxyisobutanoic acid,2-hydroxyisobutyricacid PubChem CID: 11671 ChEBI: CHEBI:50129 IUPAC Name: 2-hydroxy-2-methylpropanoic acid SMILES: CC(C)(O)C(O)=O
| PubChem CID | 11671 |
|---|---|
| CAS | 594-61-6 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:50129 |
| MDL Number | MFCD00004459 |
| SMILES | CC(C)(O)C(O)=O |
| Synonym | 2-hydroxyisobutyric acid,2-methyllactic acid,acetonic acid,2-hydroxy-2-methylpropionic acid,alpha-hydroxyisobutyric acid,hydroxydimethylacetic acid,acetonate,propanoic acid, 2-hydroxy-2-methyl,alpha-hydroxyisobutanoic acid,2-hydroxyisobutyricacid |
| IUPAC Name | 2-hydroxy-2-methylpropanoic acid |
| InChI Key | BWLBGMIXKSTLSX-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
4,4'-Bis(dimethylamino)benzil, 98%
CAS: 17078-27-2 Molecular Formula: C18H20N2O2 Molecular Weight (g/mol): 296.36 InChI Key: AVFUVYIDYFXFSX-UHFFFAOYSA-N Synonym: 4,4'-bis dimethylamino benzil,1,2-bis 4-dimethylamino phenyl ethane-1,2-dione,ethandione, bis 4-dimethylamino phenyl,bis 4-dimethylamino phenyl ethane-1,2-dione,acmc-209e1j,benzil-based compound, 35,bis n,n-dimethylamino benzil,4,4/'-bis dimethylamino benzil,bis 4-dimethylamino phenyl diketone PubChem CID: 222570 IUPAC Name: 1,2-bis[4-(dimethylamino)phenyl]ethane-1,2-dione SMILES: CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)C
| PubChem CID | 222570 |
|---|---|
| CAS | 17078-27-2 |
| Molecular Weight (g/mol) | 296.36 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N(C)C |
| Synonym | 4,4'-bis dimethylamino benzil,1,2-bis 4-dimethylamino phenyl ethane-1,2-dione,ethandione, bis 4-dimethylamino phenyl,bis 4-dimethylamino phenyl ethane-1,2-dione,acmc-209e1j,benzil-based compound, 35,bis n,n-dimethylamino benzil,4,4/'-bis dimethylamino benzil,bis 4-dimethylamino phenyl diketone |
| IUPAC Name | 1,2-bis[4-(dimethylamino)phenyl]ethane-1,2-dione |
| InChI Key | AVFUVYIDYFXFSX-UHFFFAOYSA-N |
| Molecular Formula | C18H20N2O2 |
2',6'-Dichloroacetophenone, 97%, Thermo Scientific Chemicals
CAS: 2040-05-3 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00016339 InChI Key: HYBDSXBLGCQKRE-UHFFFAOYSA-N Synonym: 2',6'-dichloroacetophenone,1-2,6-dichlorophenyl ethanone,2,6-dichloroacetophenone,1-2,6-dichlorophenyl ethan-1-one,ethanone, 1-2,6-dichlorophenyl,2,6-dichloro acetophenone,1-acetyl-2,6-dichlorobenzene,zlchem 1084,pubchem12362,acmc-1cobf PubChem CID: 74877 IUPAC Name: 1-(2,6-dichlorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1Cl)Cl
| PubChem CID | 74877 |
|---|---|
| CAS | 2040-05-3 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00016339 |
| SMILES | CC(=O)C1=C(C=CC=C1Cl)Cl |
| Synonym | 2',6'-dichloroacetophenone,1-2,6-dichlorophenyl ethanone,2,6-dichloroacetophenone,1-2,6-dichlorophenyl ethan-1-one,ethanone, 1-2,6-dichlorophenyl,2,6-dichloro acetophenone,1-acetyl-2,6-dichlorobenzene,zlchem 1084,pubchem12362,acmc-1cobf |
| IUPAC Name | 1-(2,6-dichlorophenyl)ethanone |
| InChI Key | HYBDSXBLGCQKRE-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
Cyclopentanemethanol, 98%
CAS: 3637-61-4 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00001384 InChI Key: ISQVBYGGNVVVHB-UHFFFAOYSA-N Synonym: cyclopentanemethanol,cyclopentyl-methanol,cyclopentylcarbinol,cyclopentylmethyl alcohol,cyclopentanmethanol,cylcopentanemethanol,cyclopentan-methanol,cyclopentyl methanol,cyclopentyl carbinol,cyclo-pentanemethanol PubChem CID: 77195 IUPAC Name: cyclopentylmethanol SMILES: C1CCC(C1)CO
| PubChem CID | 77195 |
|---|---|
| CAS | 3637-61-4 |
| Molecular Weight (g/mol) | 100.161 |
| MDL Number | MFCD00001384 |
| SMILES | C1CCC(C1)CO |
| Synonym | cyclopentanemethanol,cyclopentyl-methanol,cyclopentylcarbinol,cyclopentylmethyl alcohol,cyclopentanmethanol,cylcopentanemethanol,cyclopentan-methanol,cyclopentyl methanol,cyclopentyl carbinol,cyclo-pentanemethanol |
| IUPAC Name | cyclopentylmethanol |
| InChI Key | ISQVBYGGNVVVHB-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
2-Propoxyethanol, 98%, pure
CAS: 2807-30-9 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00072645 InChI Key: YEYKMVJDLWJFOA-UHFFFAOYSA-N Synonym: ethanol, 2-propoxy,ethylene glycol monopropyl ether,propyl cellosolve,propoxyethanol,propyl glycol,2-propoxyethan-1-ol,ektasolve ep,2-propyloxy ethanol,n-propoxyethanol,ethylene glycol mono-n-propyl ether PubChem CID: 17756 IUPAC Name: 2-propoxyethanol SMILES: CCCOCCO
| PubChem CID | 17756 |
|---|---|
| CAS | 2807-30-9 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00072645 |
| SMILES | CCCOCCO |
| Synonym | ethanol, 2-propoxy,ethylene glycol monopropyl ether,propyl cellosolve,propoxyethanol,propyl glycol,2-propoxyethan-1-ol,ektasolve ep,2-propyloxy ethanol,n-propoxyethanol,ethylene glycol mono-n-propyl ether |
| IUPAC Name | 2-propoxyethanol |
| InChI Key | YEYKMVJDLWJFOA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
4,4,5,5,5-Pentafluoropentan-1-ol, 95%
CAS: 148043-73-6 Molecular Formula: C5H7F5O Molecular Weight (g/mol): 178.1 InChI Key: QROUUECTKRZFHF-UHFFFAOYSA-N Synonym: 4,4,5,5,5-pentafluoro-1-pentanol,4,4,5,5,5-pentafluoropentanol,pentafluoropentanol,1-pentanol, 4,4,5,5,5-pentafluoro,fulvestrant intermediate,acmc-1bz8x,3-perfluoroethyl propan-1-ol,4,4,5,5,5-pentafluoro pentanol,4,4,5,5,5-pentafluoro-pentanol,4,4,5,5,5-pentafluorpentan-1-ol PubChem CID: 547967 IUPAC Name: 4,4,5,5,5-pentafluoropentan-1-ol SMILES: C(CC(C(F)(F)F)(F)F)CO
| PubChem CID | 547967 |
|---|---|
| CAS | 148043-73-6 |
| Molecular Weight (g/mol) | 178.1 |
| SMILES | C(CC(C(F)(F)F)(F)F)CO |
| Synonym | 4,4,5,5,5-pentafluoro-1-pentanol,4,4,5,5,5-pentafluoropentanol,pentafluoropentanol,1-pentanol, 4,4,5,5,5-pentafluoro,fulvestrant intermediate,acmc-1bz8x,3-perfluoroethyl propan-1-ol,4,4,5,5,5-pentafluoro pentanol,4,4,5,5,5-pentafluoro-pentanol,4,4,5,5,5-pentafluorpentan-1-ol |
| IUPAC Name | 4,4,5,5,5-pentafluoropentan-1-ol |
| InChI Key | QROUUECTKRZFHF-UHFFFAOYSA-N |
| Molecular Formula | C5H7F5O |
| Viscosity | 20 mPa.s (50°C) |
|---|---|
| Linear Formula | OHC(CH2)3CHO |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:64276 |
| InChI Key | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
| Density | 1.1300g/mL |
| PubChem CID | 3485 |
| Name Note | 50 wt% Solution in Water |
| Fieser | 01,411 |
| pH | 3.2 to 4.2 |
| Formula Weight | 100.12 |
| Melting Point | -33.0°C |
| Boiling Point | 101.5°C (740.0 mmHg) |
| Physical Form | Solution |
| Chemical Name or Material | Glutaric dialdehyde |
| SMILES | O=CCCCC=O |
| Merck Index | 15, 4508 |
| CAS | 7732-18-5 |
| Health Hazard 3 | GHS P Statement Wear protective gloves/protective clothing/eye protection/face protection. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. IF IN EYES: Rinse cautiously with water for several minu |
| MDL Number | MFCD00007025 |
| Health Hazard 2 | GHS H Statement Toxic if swallowed. Fatal if inhaled. Causes severe skin burns and eye damage. May cause allergy or asthma symptoms or breathing difficulties if inhaled. May cause an allergic skin reaction. Very toxic |
| Solubility Information | Solubility in water: soluble |
| Health Hazard 1 | GHS Signal Word: Danger |
| Synonym | glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde |
| IUPAC Name | pentanedial |
| Beilstein | 01, 776 |
| Molecular Formula | C5H8O2 |
| EINECS Number | 203-856-5 |
| Specific Gravity | 1.13 |
Morpholin-3-one, 98%
CAS: 109-11-5 Molecular Formula: C4H7NO2 Molecular Weight (g/mol): 101.11 MDL Number: MFCD00631009 InChI Key: VSEAAEQOQBMPQF-UHFFFAOYSA-N Synonym: 3-morpholinone,3-ketomorpholine,morpholinone,morpholine-3-one,3-oxomorpholine,3-oxo-morpholine,acmc-1bpa5,ksc180o3n,morpholin-3-one; 3-morpholone PubChem CID: 66953 IUPAC Name: morpholin-3-one SMILES: O=C1COCCN1
| PubChem CID | 66953 |
|---|---|
| CAS | 109-11-5 |
| Molecular Weight (g/mol) | 101.11 |
| MDL Number | MFCD00631009 |
| SMILES | O=C1COCCN1 |
| Synonym | 3-morpholinone,3-ketomorpholine,morpholinone,morpholine-3-one,3-oxomorpholine,3-oxo-morpholine,acmc-1bpa5,ksc180o3n,morpholin-3-one; 3-morpholone |
| IUPAC Name | morpholin-3-one |
| InChI Key | VSEAAEQOQBMPQF-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO2 |