Organooxygen compounds
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Acrolein diethyl acetal, 94%
CAS: 3054-95-3 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009239 InChI Key: MCIPQLOKVXSHTD-UHFFFAOYSA-N Synonym: acrolein diethyl acetal,acrolein diethylacetal,acrolein acetal,3,3-diethoxy-1-propene,1-propene, 3,3-diethoxy,propenal diethyl acetal,3,3-diethoxypropene,1,1-diethoxy-2-propene,acrolein, diethyl acetal,acrylaldehyde diethyl acetal PubChem CID: 62477 IUPAC Name: 3,3-diethoxyprop-1-ene SMILES: CCOC(C=C)OCC
| PubChem CID | 62477 |
|---|---|
| CAS | 3054-95-3 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00009239 |
| SMILES | CCOC(C=C)OCC |
| Synonym | acrolein diethyl acetal,acrolein diethylacetal,acrolein acetal,3,3-diethoxy-1-propene,1-propene, 3,3-diethoxy,propenal diethyl acetal,3,3-diethoxypropene,1,1-diethoxy-2-propene,acrolein, diethyl acetal,acrylaldehyde diethyl acetal |
| IUPAC Name | 3,3-diethoxyprop-1-ene |
| InChI Key | MCIPQLOKVXSHTD-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
2,5-Dihydroxybenzaldehyde, 99%
CAS: 1194-98-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003333 InChI Key: CLFRCXCBWIQVRN-UHFFFAOYSA-N Synonym: gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy PubChem CID: 70949 ChEBI: CHEBI:28508 IUPAC Name: 2,5-dihydroxybenzaldehyde SMILES: OC1=CC=C(O)C(C=O)=C1
| PubChem CID | 70949 |
|---|---|
| CAS | 1194-98-5 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:28508 |
| MDL Number | MFCD00003333 |
| SMILES | OC1=CC=C(O)C(C=O)=C1 |
| Synonym | gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy |
| IUPAC Name | 2,5-dihydroxybenzaldehyde |
| InChI Key | CLFRCXCBWIQVRN-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
1-Methylcyclohexanol, 96%
CAS: 590-67-0 MDL Number: MFCD00003857 InChI Key: VTBOTOBFGSVRMA-UHFFFAOYSA-N Synonym: 1-methylcyclohexanol,cyclohexanol, 1-methyl,1-methyl-1-cyclohexanol,cyclohexanol,methyl,1-methyl-cyclohexanol,1-methylcyclohexyl alcohol,acmc-1b1ai,1-methyl-cyclohexan-1-ol,1-methyl cyclohexanol PubChem CID: 11550 IUPAC Name: 1-methylcyclohexan-1-ol SMILES: CC1(CCCCC1)O
| PubChem CID | 11550 |
|---|---|
| CAS | 590-67-0 |
| MDL Number | MFCD00003857 |
| SMILES | CC1(CCCCC1)O |
| Synonym | 1-methylcyclohexanol,cyclohexanol, 1-methyl,1-methyl-1-cyclohexanol,cyclohexanol,methyl,1-methyl-cyclohexanol,1-methylcyclohexyl alcohol,acmc-1b1ai,1-methyl-cyclohexan-1-ol,1-methyl cyclohexanol |
| IUPAC Name | 1-methylcyclohexan-1-ol |
| InChI Key | VTBOTOBFGSVRMA-UHFFFAOYSA-N |
2'-Methoxyacetophenone, 99%
CAS: 579-74-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008725 InChI Key: DWPLEOPKBWNPQV-UHFFFAOYSA-N Synonym: 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone PubChem CID: 68481 IUPAC Name: 1-(2-methoxyphenyl)ethanone SMILES: COC1=CC=CC=C1C(C)=O
| PubChem CID | 68481 |
|---|---|
| CAS | 579-74-8 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00008725 |
| SMILES | COC1=CC=CC=C1C(C)=O |
| Synonym | 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone |
| IUPAC Name | 1-(2-methoxyphenyl)ethanone |
| InChI Key | DWPLEOPKBWNPQV-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Methoxyacetonitrile, 98%
CAS: 1738-36-9 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.08 MDL Number: MFCD00001892 InChI Key: QKPVEISEHYYHRH-UHFFFAOYSA-N PubChem CID: 74442 IUPAC Name: 2-methoxyacetonitrile SMILES: COCC#N
| PubChem CID | 74442 |
|---|---|
| CAS | 1738-36-9 |
| Molecular Weight (g/mol) | 71.08 |
| MDL Number | MFCD00001892 |
| SMILES | COCC#N |
| IUPAC Name | 2-methoxyacetonitrile |
| InChI Key | QKPVEISEHYYHRH-UHFFFAOYSA-N |
| Molecular Formula | C3H5NO |
Triethyl orthoacetate, 97%
CAS: 78-39-7 Molecular Formula: C8H18O3 Molecular Weight (g/mol): 162.23 MDL Number: MFCD00009223 InChI Key: NDQXKKFRNOPRDW-UHFFFAOYSA-N Synonym: triethyl orthoacetate,ethyl orthoacetate,ethane, 1,1,1-triethoxy,orthoacetic acid, triethyl ester,orthoacetic acid triethyl ester,triethoxyethane,triethoxy ethane,triethy orthoacetate,triethyl ortho-aceate,1,1-triethoxyethane PubChem CID: 66221 IUPAC Name: 1,1,1-triethoxyethane SMILES: CCOC(C)(OCC)OCC
| PubChem CID | 66221 |
|---|---|
| CAS | 78-39-7 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00009223 |
| SMILES | CCOC(C)(OCC)OCC |
| Synonym | triethyl orthoacetate,ethyl orthoacetate,ethane, 1,1,1-triethoxy,orthoacetic acid, triethyl ester,orthoacetic acid triethyl ester,triethoxyethane,triethoxy ethane,triethy orthoacetate,triethyl ortho-aceate,1,1-triethoxyethane |
| IUPAC Name | 1,1,1-triethoxyethane |
| InChI Key | NDQXKKFRNOPRDW-UHFFFAOYSA-N |
| Molecular Formula | C8H18O3 |
Triethylene glycol dimethyl ether, 99%, stabilized
CAS: 112-49-2 Molecular Formula: C8H18O4 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00008504 InChI Key: YFNKIDBQEZZDLK-UHFFFAOYSA-N Synonym: triglyme,triethylene glycol dimethyl ether,2,5,8,11-tetraoxadodecane,1,2-bis 2-methoxyethoxy ethane,glyme 4,ansul ether 161,glyme-3,tegdime,tegdme,unii-32yxg88kk0 PubChem CID: 8189 ChEBI: CHEBI:44842 IUPAC Name: 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane SMILES: COCCOCCOCCOC
| PubChem CID | 8189 |
|---|---|
| CAS | 112-49-2 |
| Molecular Weight (g/mol) | 178.23 |
| ChEBI | CHEBI:44842 |
| MDL Number | MFCD00008504 |
| SMILES | COCCOCCOCCOC |
| Synonym | triglyme,triethylene glycol dimethyl ether,2,5,8,11-tetraoxadodecane,1,2-bis 2-methoxyethoxy ethane,glyme 4,ansul ether 161,glyme-3,tegdime,tegdme,unii-32yxg88kk0 |
| IUPAC Name | 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane |
| InChI Key | YFNKIDBQEZZDLK-UHFFFAOYSA-N |
| Molecular Formula | C8H18O4 |
4-Bromophenacyl Bromide 99.0+%, TCI America™
CAS: 99-73-0 Molecular Formula: C8H6Br2O Molecular Weight (g/mol): 277.943 MDL Number: MFCD00000200 InChI Key: FKJSFKCZZIXQIP-UHFFFAOYSA-N Synonym: 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene PubChem CID: 7454 IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Br
| PubChem CID | 7454 |
|---|---|
| CAS | 99-73-0 |
| Molecular Weight (g/mol) | 277.943 |
| MDL Number | MFCD00000200 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)Br |
| Synonym | 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene |
| IUPAC Name | 2-bromo-1-(4-bromophenyl)ethanone |
| InChI Key | FKJSFKCZZIXQIP-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O |
Dodecanophenone 98.0+%, TCI America™
CAS: 1674-38-0 Molecular Formula: C18H28O Molecular Weight (g/mol): 260.421 MDL Number: MFCD00008967 InChI Key: DJNJZIFFCJTUDS-UHFFFAOYSA-N Synonym: dodecanophenone,laurophenone,1-dodecanone, 1-phenyl,phenyl undecyl ketone,1-phenyl-1-dodecanone,phenyl n-undecyl ketone,n-dodecanophenone,undecyl phenyl ketone,maybridge1_003217 PubChem CID: 74292 IUPAC Name: 1-phenyldodecan-1-one SMILES: CCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 74292 |
|---|---|
| CAS | 1674-38-0 |
| Molecular Weight (g/mol) | 260.421 |
| MDL Number | MFCD00008967 |
| SMILES | CCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | dodecanophenone,laurophenone,1-dodecanone, 1-phenyl,phenyl undecyl ketone,1-phenyl-1-dodecanone,phenyl n-undecyl ketone,n-dodecanophenone,undecyl phenyl ketone,maybridge1_003217 |
| IUPAC Name | 1-phenyldodecan-1-one |
| InChI Key | DJNJZIFFCJTUDS-UHFFFAOYSA-N |
| Molecular Formula | C18H28O |
Ethylene Glycol Monoacetoacetate Monomethacrylate (stabilized with BHT) 95.0+%, TCI America™
CAS: 21282-97-3 Molecular Formula: C10H14O5 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00054405 InChI Key: IBDVWXAVKPRHCU-UHFFFAOYSA-N Synonym: aaem,2-methacryloyloxy ethyl 3-oxobutanoate,2-methacryloyloxy ethyl acetoacetate,acetoacetoxyethyl methacrylate,unii-6l3ew3hzf2,6l3ew3hzf2,2-acetoacetyloxy ethyl methacrylate,hema acetoacetate,2-2-methylacryloyl oxy ethyl 3-oxobutanoate PubChem CID: 88855 IUPAC Name: 2-[(2-methylprop-2-enoyl)oxy]ethyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCCOC(=O)C(C)=C
| PubChem CID | 88855 |
|---|---|
| CAS | 21282-97-3 |
| Molecular Weight (g/mol) | 214.22 |
| MDL Number | MFCD00054405 |
| SMILES | CC(=O)CC(=O)OCCOC(=O)C(C)=C |
| Synonym | aaem,2-methacryloyloxy ethyl 3-oxobutanoate,2-methacryloyloxy ethyl acetoacetate,acetoacetoxyethyl methacrylate,unii-6l3ew3hzf2,6l3ew3hzf2,2-acetoacetyloxy ethyl methacrylate,hema acetoacetate,2-2-methylacryloyl oxy ethyl 3-oxobutanoate |
| IUPAC Name | 2-[(2-methylprop-2-enoyl)oxy]ethyl 3-oxobutanoate |
| InChI Key | IBDVWXAVKPRHCU-UHFFFAOYSA-N |
| Molecular Formula | C10H14O5 |
Propylene Glycol 1-Monomethyl Ether 2-Acetate 98.0+%, TCI America™
CAS: 108-65-6 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00038500 InChI Key: LLHKCFNBLRBOGN-UHFFFAOYSA-N Synonym: 1-methoxy-2-propyl acetate,pgmea,2-acetoxy-1-methoxypropane,propylene glycol monomethyl ether acetate,propylene glycol methyl ether acetate,1-methoxy-2-acetoxypropane,2-propanol, 1-methoxy-, acetate,2-methoxy-1-methylethyl acetate,propyleneglycol monomethyl ether acetate,acetic acid, 2-methoxy-1-methylethyl ester PubChem CID: 7946 IUPAC Name: 1-methoxypropan-2-yl acetate SMILES: CC(COC)OC(=O)C
| PubChem CID | 7946 |
|---|---|
| CAS | 108-65-6 |
| Molecular Weight (g/mol) | 132.159 |
| MDL Number | MFCD00038500 |
| SMILES | CC(COC)OC(=O)C |
| Synonym | 1-methoxy-2-propyl acetate,pgmea,2-acetoxy-1-methoxypropane,propylene glycol monomethyl ether acetate,propylene glycol methyl ether acetate,1-methoxy-2-acetoxypropane,2-propanol, 1-methoxy-, acetate,2-methoxy-1-methylethyl acetate,propyleneglycol monomethyl ether acetate,acetic acid, 2-methoxy-1-methylethyl ester |
| IUPAC Name | 1-methoxypropan-2-yl acetate |
| InChI Key | LLHKCFNBLRBOGN-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
3,5-Dimethyl-1-hexyn-3-ol 98.0+%, TCI America™
CAS: 107-54-0 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.20 MDL Number: MFCD00008941 InChI Key: NECRQCBKTGZNMH-UHFFFAOYNA-N Synonym: 3,5-dimethyl-1-hexyn-3-ol,surfynol,surfynol 61,1-hexyn-3-ol, 3,5-dimethyl,surfynol van,sialyl-3-paragloboside,acmc-2098wy,dsstox_cid_21472,dsstox_rid_79746,dsstox_gsid_41472 PubChem CID: 61018 IUPAC Name: 3,5-dimethylhex-1-yn-3-ol SMILES: CC(C)CC(C)(O)C#C
| PubChem CID | 61018 |
|---|---|
| CAS | 107-54-0 |
| Molecular Weight (g/mol) | 126.20 |
| MDL Number | MFCD00008941 |
| SMILES | CC(C)CC(C)(O)C#C |
| Synonym | 3,5-dimethyl-1-hexyn-3-ol,surfynol,surfynol 61,1-hexyn-3-ol, 3,5-dimethyl,surfynol van,sialyl-3-paragloboside,acmc-2098wy,dsstox_cid_21472,dsstox_rid_79746,dsstox_gsid_41472 |
| IUPAC Name | 3,5-dimethylhex-1-yn-3-ol |
| InChI Key | NECRQCBKTGZNMH-UHFFFAOYNA-N |
| Molecular Formula | C8H14O |
4-Methyl-1-pentanol 99.0+%, TCI America™
CAS: 626-89-1 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.177 MDL Number: MFCD00002962 InChI Key: PCWGTDULNUVNBN-UHFFFAOYSA-N Synonym: 4-methyl-1-pentanol,isohexanol,isohexyl alcohol,4-methylpentanol,iso-hexanol,2-methyl-5-pentanol,1-pentanol, 4-methyl,pentanol, 4-methyl,4-methyl-pentan-1-ol,unii-x796xfp7d4 PubChem CID: 12296 ChEBI: CHEBI:63910 IUPAC Name: 4-methylpentan-1-ol SMILES: CC(C)CCCO
| PubChem CID | 12296 |
|---|---|
| CAS | 626-89-1 |
| Molecular Weight (g/mol) | 102.177 |
| ChEBI | CHEBI:63910 |
| MDL Number | MFCD00002962 |
| SMILES | CC(C)CCCO |
| Synonym | 4-methyl-1-pentanol,isohexanol,isohexyl alcohol,4-methylpentanol,iso-hexanol,2-methyl-5-pentanol,1-pentanol, 4-methyl,pentanol, 4-methyl,4-methyl-pentan-1-ol,unii-x796xfp7d4 |
| IUPAC Name | 4-methylpentan-1-ol |
| InChI Key | PCWGTDULNUVNBN-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
(+/-)-1-Phenylethyl Alcohol 98.0+%, TCI America™
CAS: 98-85-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004508 InChI Key: WAPNOHKVXSQRPX-UHFFFAOYSA-N Synonym: methylphenyl carbinol,1-phenylethan-1-ol,alpha-methylbenzyl alcohol,styralyl alcohol,1-phenethyl alcohol,styrallyl alcohol,methylphenylcarbinol,1-phenylethyl alcohol,phenylmethylcarbinol,1-hydroxyethyl benzene PubChem CID: 7409 ChEBI: CHEBI:669 IUPAC Name: 1-phenylethanol SMILES: CC(C1=CC=CC=C1)O
| PubChem CID | 7409 |
|---|---|
| CAS | 98-85-1 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:669 |
| MDL Number | MFCD00004508 |
| SMILES | CC(C1=CC=CC=C1)O |
| Synonym | methylphenyl carbinol,1-phenylethan-1-ol,alpha-methylbenzyl alcohol,styralyl alcohol,1-phenethyl alcohol,styrallyl alcohol,methylphenylcarbinol,1-phenylethyl alcohol,phenylmethylcarbinol,1-hydroxyethyl benzene |
| IUPAC Name | 1-phenylethanol |
| InChI Key | WAPNOHKVXSQRPX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
4-Methylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 589-91-3 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00001449,MFCD00064171,MFCD00064170 InChI Key: MQWCXKGKQLNYQG-UHFFFAOYSA-N Synonym: 4-methylcyclohexanol,trans-4-methylcyclohexanol,cis-4-methylcyclohexanol,cyclohexanol, 4-methyl,1-methyl-4-cyclohexanol,cyclohexanol, 4-methyl-, trans,methyl cyclohexanol,p-methylcyclohexanol,cyclohexanol, 4-methyl-, cis,trans 4-methyl cyclohexanol PubChem CID: 11524 IUPAC Name: 4-methylcyclohexan-1-ol SMILES: CC1CCC(O)CC1
| PubChem CID | 11524 |
|---|---|
| CAS | 589-91-3 |
| Molecular Weight (g/mol) | 114.19 |
| MDL Number | MFCD00001449,MFCD00064171,MFCD00064170 |
| SMILES | CC1CCC(O)CC1 |
| Synonym | 4-methylcyclohexanol,trans-4-methylcyclohexanol,cis-4-methylcyclohexanol,cyclohexanol, 4-methyl,1-methyl-4-cyclohexanol,cyclohexanol, 4-methyl-, trans,methyl cyclohexanol,p-methylcyclohexanol,cyclohexanol, 4-methyl-, cis,trans 4-methyl cyclohexanol |
| IUPAC Name | 4-methylcyclohexan-1-ol |
| InChI Key | MQWCXKGKQLNYQG-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |