Organooxygen compounds
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2-Methyl-1-propanol, 99+%, Extra Pure
CAS: 78-83-1 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00004740 InChI Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N Synonym: 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol PubChem CID: 6560 ChEBI: CHEBI:46645 IUPAC Name: 2-methylpropan-1-ol SMILES: CC(C)CO
| PubChem CID | 6560 |
|---|---|
| CAS | 78-83-1 |
| Molecular Weight (g/mol) | 74.12 |
| ChEBI | CHEBI:46645 |
| MDL Number | MFCD00004740 |
| SMILES | CC(C)CO |
| Synonym | 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol |
| IUPAC Name | 2-methylpropan-1-ol |
| InChI Key | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
6-Mercapto-1-hexanol 98.0+%, TCI America™
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CAS: 1633-78-9 Molecular Formula: C6H14OS Molecular Weight (g/mol): 134.237 MDL Number: MFCD00068552 InChI Key: UGZAJZLUKVKCBM-UHFFFAOYSA-N PubChem CID: 560126 IUPAC Name: 6-sulfanylhexan-1-ol SMILES: C(CCCS)CCO
| PubChem CID | 560126 |
|---|---|
| CAS | 1633-78-9 |
| Molecular Weight (g/mol) | 134.237 |
| MDL Number | MFCD00068552 |
| SMILES | C(CCCS)CCO |
| IUPAC Name | 6-sulfanylhexan-1-ol |
| InChI Key | UGZAJZLUKVKCBM-UHFFFAOYSA-N |
| Molecular Formula | C6H14OS |
2-Acetylfuran, 99%
CAS: 1192-62-7 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.11 MDL Number: MFCD00003242 InChI Key: IEMMBWWQXVXBEU-UHFFFAOYSA-N Synonym: 2-acetylfuran,acetylfuran,1-furan-2-yl ethanone,2-furyl methyl ketone,methyl 2-furyl ketone,1-2-furyl ethanone,2-furylethanone,2-acetyl furan,ketone, 2-furyl methyl,ethanone, 1-2-furanyl PubChem CID: 14505 ChEBI: CHEBI:59983 IUPAC Name: 1-(furan-2-yl)ethanone SMILES: CC(=O)C1=CC=CO1
| PubChem CID | 14505 |
|---|---|
| CAS | 1192-62-7 |
| Molecular Weight (g/mol) | 110.11 |
| ChEBI | CHEBI:59983 |
| MDL Number | MFCD00003242 |
| SMILES | CC(=O)C1=CC=CO1 |
| Synonym | 2-acetylfuran,acetylfuran,1-furan-2-yl ethanone,2-furyl methyl ketone,methyl 2-furyl ketone,1-2-furyl ethanone,2-furylethanone,2-acetyl furan,ketone, 2-furyl methyl,ethanone, 1-2-furanyl |
| IUPAC Name | 1-(furan-2-yl)ethanone |
| InChI Key | IEMMBWWQXVXBEU-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2 |
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 |
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 |
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 |
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-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-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 |
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 |
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 |
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 |
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 |
Thermo Scientific Chemicals D-Fructose, 99%
CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 5984 |
|---|---|
| CAS | 57-48-7 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:48095 |
| MDL Number | MFCD00148910 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Molecular Formula | C6H12O6 |