Organooxygen compounds
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3-Hydroxypropionitrile, 97%
CAS: 109-78-4 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.08 MDL Number: MFCD00002826 InChI Key: WSGYTJNNHPZFKR-UHFFFAOYSA-N Synonym: 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane PubChem CID: 8011 IUPAC Name: 3-hydroxypropanenitrile SMILES: C(CO)C#N
| PubChem CID | 8011 |
|---|---|
| CAS | 109-78-4 |
| Molecular Weight (g/mol) | 71.08 |
| MDL Number | MFCD00002826 |
| SMILES | C(CO)C#N |
| Synonym | 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane |
| IUPAC Name | 3-hydroxypropanenitrile |
| InChI Key | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
| Molecular Formula | C3H5NO |
2-Ethyl-2-(hydroxymethyl)-1,3-propanediol, 98%
CAS: 77-99-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00004694 InChI Key: ZJCCRDAZUWHFQH-UHFFFAOYSA-N Synonym: trimethylolpropane,2-ethyl-2-hydroxymethyl propane-1,3-diol,ethriol,2-ethyl-2-hydroxymethyl-1,3-propanediol,hexaglycerine,ettriol,etriol,trimethylol propane,tmp alcohol,1,1,1-tris hydroxymethyl propane PubChem CID: 6510 IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol SMILES: CCC(CO)(CO)CO
| PubChem CID | 6510 |
|---|---|
| CAS | 77-99-6 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00004694 |
| SMILES | CCC(CO)(CO)CO |
| Synonym | trimethylolpropane,2-ethyl-2-hydroxymethyl propane-1,3-diol,ethriol,2-ethyl-2-hydroxymethyl-1,3-propanediol,hexaglycerine,ettriol,etriol,trimethylol propane,tmp alcohol,1,1,1-tris hydroxymethyl propane |
| IUPAC Name | 2-ethyl-2-(hydroxymethyl)propane-1,3-diol |
| InChI Key | ZJCCRDAZUWHFQH-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
1-Chloro-6-hydroxyhexane, 95%
CAS: 2009-83-8 Molecular Formula: C6H13ClO Molecular Weight (g/mol): 136.62 MDL Number: MFCD00002984 InChI Key: JNTPTNNCGDAGEJ-UHFFFAOYSA-N Synonym: 6-chloro-1-hexanol,6-chlorohexanol,1-chloro-6-hydroxyhexane,1-hexanol, 6-chloro,hexamethylene chlorohydrin,1-chloro-6-hexanol,omega-chlorohexanol,unii-t2hit6n5uf,6-chloro-hexanol,t2hit6n5uf PubChem CID: 74828 IUPAC Name: 6-chlorohexan-1-ol SMILES: C(CCCCl)CCO
| PubChem CID | 74828 |
|---|---|
| CAS | 2009-83-8 |
| Molecular Weight (g/mol) | 136.62 |
| MDL Number | MFCD00002984 |
| SMILES | C(CCCCl)CCO |
| Synonym | 6-chloro-1-hexanol,6-chlorohexanol,1-chloro-6-hydroxyhexane,1-hexanol, 6-chloro,hexamethylene chlorohydrin,1-chloro-6-hexanol,omega-chlorohexanol,unii-t2hit6n5uf,6-chloro-hexanol,t2hit6n5uf |
| IUPAC Name | 6-chlorohexan-1-ol |
| InChI Key | JNTPTNNCGDAGEJ-UHFFFAOYSA-N |
| Molecular Formula | C6H13ClO |
Acetophenone 98.5+%, TCI America™
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CAS: 98-86-2 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1
| PubChem CID | 7410 |
|---|---|
| CAS | 98-86-2 |
| Molecular Weight (g/mol) | 120.151 |
| ChEBI | CHEBI:27632 |
| MDL Number | MFCD00008724 |
| SMILES | CC(=O)C1=CC=CC=C1 |
| Synonym | acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol |
| IUPAC Name | 1-phenylethanone |
| InChI Key | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
3-Methoxypropionitrile, 98%
CAS: 110-67-8 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00001958 InChI Key: OOWFYDWAMOKVSF-UHFFFAOYSA-N Synonym: 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile PubChem CID: 61032 IUPAC Name: 3-methoxypropanenitrile SMILES: COCCC#N
| PubChem CID | 61032 |
|---|---|
| CAS | 110-67-8 |
| Molecular Weight (g/mol) | 85.11 |
| MDL Number | MFCD00001958 |
| SMILES | COCCC#N |
| Synonym | 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile |
| IUPAC Name | 3-methoxypropanenitrile |
| InChI Key | OOWFYDWAMOKVSF-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO |
1-Naphthalenemethanol, 98%
CAS: 4780-79-4 Molecular Formula: C11H10O Molecular Weight (g/mol): 158.20 MDL Number: MFCD00004044 InChI Key: PBLNHHSDYFYZNC-UHFFFAOYSA-N Synonym: 1-naphthalenemethanol,1-naphthylmethanol,1-hydroxymethylnaphthalene,naphthalene-1-methanol,1-naphthalene methanol,1-menaphthyl alcohol,1-naphthylmethyl alcohol,naphthalen-1-yl-methanol,naphthalen-1-yl methanol,1-naphthylenemethanol PubChem CID: 20908 ChEBI: CHEBI:38137 IUPAC Name: naphthalen-1-ylmethanol SMILES: OCC1=C2C=CC=CC2=CC=C1
| PubChem CID | 20908 |
|---|---|
| CAS | 4780-79-4 |
| Molecular Weight (g/mol) | 158.20 |
| ChEBI | CHEBI:38137 |
| MDL Number | MFCD00004044 |
| SMILES | OCC1=C2C=CC=CC2=CC=C1 |
| Synonym | 1-naphthalenemethanol,1-naphthylmethanol,1-hydroxymethylnaphthalene,naphthalene-1-methanol,1-naphthalene methanol,1-menaphthyl alcohol,1-naphthylmethyl alcohol,naphthalen-1-yl-methanol,naphthalen-1-yl methanol,1-naphthylenemethanol |
| IUPAC Name | naphthalen-1-ylmethanol |
| InChI Key | PBLNHHSDYFYZNC-UHFFFAOYSA-N |
| Molecular Formula | C11H10O |
Ethyl bromopyruvate, 80-85%
CAS: 70-23-5 Molecular Formula: C5H7BrO3 Molecular Weight (g/mol): 195.01 MDL Number: MFCD00000204 InChI Key: VICYTAYPKBLQFB-UHFFFAOYSA-N Synonym: ethyl bromopyruvate,ethyl 3-bromopyruvate,propanoic acid, 3-bromo-2-oxo-, ethyl ester,bromopyruvic acid ethyl ester,ethyl bromo pyruvate,ethyl 3-bromo-2-oxopropionate,pyruvic acid, bromo-, ethyl ester,.beta.-bromopyruvic acid ethyl ester,3-bromo-2-oxo-propionic acid ethyl ester,beta-bromopyruvic acid ethyl ester PubChem CID: 66144 IUPAC Name: ethyl 3-bromo-2-oxopropanoate SMILES: CCOC(=O)C(=O)CBr
| PubChem CID | 66144 |
|---|---|
| CAS | 70-23-5 |
| Molecular Weight (g/mol) | 195.01 |
| MDL Number | MFCD00000204 |
| SMILES | CCOC(=O)C(=O)CBr |
| Synonym | ethyl bromopyruvate,ethyl 3-bromopyruvate,propanoic acid, 3-bromo-2-oxo-, ethyl ester,bromopyruvic acid ethyl ester,ethyl bromo pyruvate,ethyl 3-bromo-2-oxopropionate,pyruvic acid, bromo-, ethyl ester,.beta.-bromopyruvic acid ethyl ester,3-bromo-2-oxo-propionic acid ethyl ester,beta-bromopyruvic acid ethyl ester |
| IUPAC Name | ethyl 3-bromo-2-oxopropanoate |
| InChI Key | VICYTAYPKBLQFB-UHFFFAOYSA-N |
| Molecular Formula | C5H7BrO3 |
2-Pyridinecarboxaldehyde, 99%
CAS: 1121-60-4 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.11 MDL Number: MFCD00006290 InChI Key: CSDSSGBPEUDDEE-UHFFFAOYSA-N Synonym: 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde PubChem CID: 14273 ChEBI: CHEBI:73012 IUPAC Name: pyridine-2-carbaldehyde SMILES: C1=CC=NC(=C1)C=O
| PubChem CID | 14273 |
|---|---|
| CAS | 1121-60-4 |
| Molecular Weight (g/mol) | 107.11 |
| ChEBI | CHEBI:73012 |
| MDL Number | MFCD00006290 |
| SMILES | C1=CC=NC(=C1)C=O |
| Synonym | 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde |
| IUPAC Name | pyridine-2-carbaldehyde |
| InChI Key | CSDSSGBPEUDDEE-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene, 97+% (total alcohols), Thermo Scientific™
CAS: 7212-44-4 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.37 MDL Number: MFCD00008911,MFCD00008911,MFCD00008911,MFCD00085350 InChI Key: FQTLCLSUCSAZDY-SDNWHVSQNA-N Synonym: 3r,6e-nerolidol,unii-uoc0644v25,3r-6e-nerolidol,nerolidol,3r,6e-3,7,11-trimethyldodeca-1,6,10-trien-3-ol,e-nerolidol,1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, 3r,6e,nerolidol, 6e--,--nerolidol,?-nerolidol PubChem CID: 11241545 ChEBI: CHEBI:59959 IUPAC Name: (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol SMILES: CC(C)=CCC\C(C)=C\CCC(C)(O)C=C
| PubChem CID | 11241545 |
|---|---|
| CAS | 7212-44-4 |
| Molecular Weight (g/mol) | 222.37 |
| ChEBI | CHEBI:59959 |
| MDL Number | MFCD00008911,MFCD00008911,MFCD00008911,MFCD00085350 |
| SMILES | CC(C)=CCC\C(C)=C\CCC(C)(O)C=C |
| Synonym | 3r,6e-nerolidol,unii-uoc0644v25,3r-6e-nerolidol,nerolidol,3r,6e-3,7,11-trimethyldodeca-1,6,10-trien-3-ol,e-nerolidol,1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, 3r,6e,nerolidol, 6e--,--nerolidol,?-nerolidol |
| IUPAC Name | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| InChI Key | FQTLCLSUCSAZDY-SDNWHVSQNA-N |
| Molecular Formula | C15H26O |
2-Methylene-1,3-propanediol, 97%
CAS: 3513-81-3 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00075162 InChI Key: JFFYKITVXPZLQS-UHFFFAOYSA-N Synonym: 2-methylene-1,3-propanediol,2-methylenepropane-1,3-diol,1,3-propanediol, 2-methylene,1,3-dihydroxy-2-methylenepropane,1,3-dihydroxy-2-methylidenepropane,dimethylol ethylene,2-methylene1,3-propanediol,2-methylenepropan-1,3-diol,ksc573o4t,1,3-propanediol,2-methylene 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) | 88.11 |
| MDL Number | MFCD00075162 |
| SMILES | C=C(CO)CO |
| Synonym | 2-methylene-1,3-propanediol,2-methylenepropane-1,3-diol,1,3-propanediol, 2-methylene,1,3-dihydroxy-2-methylenepropane,1,3-dihydroxy-2-methylidenepropane,dimethylol ethylene,2-methylene1,3-propanediol,2-methylenepropan-1,3-diol,ksc573o4t,1,3-propanediol,2-methylene |
| IUPAC Name | 2-methylidenepropane-1,3-diol |
| InChI Key | JFFYKITVXPZLQS-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
3-Chloro-4-pyridinecarboxaldehyde, 97%
CAS: 72990-37-5 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.56 MDL Number: MFCD06200712 InChI Key: ZVGDKOQPJCOCLI-UHFFFAOYSA-N Synonym: 3-chloroisonicotinaldehyde,3-chloropyridine-4-carboxaldehyde,3-chloro-4-pyridinecarboxaldehyde,3-chloro-4-pyridinecarbaldehyde,3-chloro-pyridine-4-carbaldehyde,3-chloro-4-formylpyridine,4-pyridinecarboxaldehyde, 3-chloro,acmc-1bgrb,ksc377a6f PubChem CID: 2762995 IUPAC Name: 3-chloropyridine-4-carbaldehyde SMILES: C1=CN=CC(=C1C=O)Cl
| PubChem CID | 2762995 |
|---|---|
| CAS | 72990-37-5 |
| Molecular Weight (g/mol) | 141.56 |
| MDL Number | MFCD06200712 |
| SMILES | C1=CN=CC(=C1C=O)Cl |
| Synonym | 3-chloroisonicotinaldehyde,3-chloropyridine-4-carboxaldehyde,3-chloro-4-pyridinecarboxaldehyde,3-chloro-4-pyridinecarbaldehyde,3-chloro-pyridine-4-carbaldehyde,3-chloro-4-formylpyridine,4-pyridinecarboxaldehyde, 3-chloro,acmc-1bgrb,ksc377a6f |
| IUPAC Name | 3-chloropyridine-4-carbaldehyde |
| InChI Key | ZVGDKOQPJCOCLI-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
Diethyl malonate, 99+%
CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC
| PubChem CID | 7761 |
|---|---|
| CAS | 105-53-3 |
| Molecular Weight (g/mol) | 160.17 |
| SMILES | CCOC(=O)CC(=O)OCC |
| Synonym | diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van |
| IUPAC Name | diethyl propanedioate |
| InChI Key | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
Ethyl diethoxyacetate, 98%
CAS: 6065-82-3 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 MDL Number: MFCD00009231 InChI Key: XCLBIKIQSCTANZ-UHFFFAOYSA-N Synonym: ethyl diethoxyacetate,acetic acid, diethoxy-, ethyl ester,diethoxyacetic acid ethyl ester,ethyldiethoxyacetate,acetic acid, 2,2-diethoxy-, ethyl ester,acetic acid,diethoxy,ethyl ester,acmc-209mlb,ethyl bis ethyloxy acetate,ethyl glyoxylate diethyl acetal PubChem CID: 80169 IUPAC Name: ethyl 2,2-diethoxyacetate SMILES: CCOC(C(=O)OCC)OCC
| PubChem CID | 80169 |
|---|---|
| CAS | 6065-82-3 |
| Molecular Weight (g/mol) | 176.21 |
| MDL Number | MFCD00009231 |
| SMILES | CCOC(C(=O)OCC)OCC |
| Synonym | ethyl diethoxyacetate,acetic acid, diethoxy-, ethyl ester,diethoxyacetic acid ethyl ester,ethyldiethoxyacetate,acetic acid, 2,2-diethoxy-, ethyl ester,acetic acid,diethoxy,ethyl ester,acmc-209mlb,ethyl bis ethyloxy acetate,ethyl glyoxylate diethyl acetal |
| IUPAC Name | ethyl 2,2-diethoxyacetate |
| InChI Key | XCLBIKIQSCTANZ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
3,4-Dihydroxybenzaldehyde, 97%
CAS: 139-85-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003370 InChI Key: IBGBGRVKPALMCQ-UHFFFAOYSA-N Synonym: protocatechualdehyde,rancinamycin iv,protocatechuic aldehyde,benzaldehyde, 3,4-dihydroxy,3,4-dihydroxybenzenecarbonal,4-formyl-1,2-dihydroxybenzene,3,4-dihydroxy-benzaldehyde,4-formyl-1,2-benzenediol,1,2-dihydroxy-4-formylbenzene,unii-4pvp2hch4t PubChem CID: 8768 ChEBI: CHEBI:50205 IUPAC Name: 3,4-dihydroxybenzaldehyde SMILES: C1=CC(=C(C=C1C=O)O)O
| PubChem CID | 8768 |
|---|---|
| CAS | 139-85-5 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:50205 |
| MDL Number | MFCD00003370 |
| SMILES | C1=CC(=C(C=C1C=O)O)O |
| Synonym | protocatechualdehyde,rancinamycin iv,protocatechuic aldehyde,benzaldehyde, 3,4-dihydroxy,3,4-dihydroxybenzenecarbonal,4-formyl-1,2-dihydroxybenzene,3,4-dihydroxy-benzaldehyde,4-formyl-1,2-benzenediol,1,2-dihydroxy-4-formylbenzene,unii-4pvp2hch4t |
| IUPAC Name | 3,4-dihydroxybenzaldehyde |
| InChI Key | IBGBGRVKPALMCQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
Deoxybenzoin, 97%
CAS: 451-40-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00003081 InChI Key: OTKCEEWUXHVZQI-UHFFFAOYSA-N Synonym: 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin PubChem CID: 9948 IUPAC Name: 1,2-diphenylethanone SMILES: O=C(CC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 9948 |
|---|---|
| CAS | 451-40-1 |
| Molecular Weight (g/mol) | 196.25 |
| MDL Number | MFCD00003081 |
| SMILES | O=C(CC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin |
| IUPAC Name | 1,2-diphenylethanone |
| InChI Key | OTKCEEWUXHVZQI-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |