Organooxygen compounds
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1-Tridecanol 98.0+%, TCI America™
CAS: 112-70-9 Molecular Formula: C13H28O Molecular Weight (g/mol): 200.366 MDL Number: MFCD00004756 InChI Key: XFRVVPUIAFSTFO-UHFFFAOYSA-N Synonym: 1-tridecanol,tridecanol,tridecyl alcohol,n-tridecan-1-ol,n-tridecanol,n-tridecyl alcohol,alcohols, c12-14,ccris 8591,dsstox_cid_1947,dsstox_rid_76420 PubChem CID: 8207 ChEBI: CHEBI:34123 IUPAC Name: tridecan-1-ol SMILES: CCCCCCCCCCCCCO
| PubChem CID | 8207 |
|---|---|
| CAS | 112-70-9 |
| Molecular Weight (g/mol) | 200.366 |
| ChEBI | CHEBI:34123 |
| MDL Number | MFCD00004756 |
| SMILES | CCCCCCCCCCCCCO |
| Synonym | 1-tridecanol,tridecanol,tridecyl alcohol,n-tridecan-1-ol,n-tridecanol,n-tridecyl alcohol,alcohols, c12-14,ccris 8591,dsstox_cid_1947,dsstox_rid_76420 |
| IUPAC Name | tridecan-1-ol |
| InChI Key | XFRVVPUIAFSTFO-UHFFFAOYSA-N |
| Molecular Formula | C13H28O |
2,2-Dimethyl-1,3-propanediol, 99%
CAS: 126-30-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00004685 InChI Key: SLCVBVWXLSEKPL-UHFFFAOYSA-N Synonym: neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol PubChem CID: 31344 IUPAC Name: 2,2-dimethylpropane-1,3-diol SMILES: CC(C)(CO)CO
| PubChem CID | 31344 |
|---|---|
| CAS | 126-30-7 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00004685 |
| SMILES | CC(C)(CO)CO |
| Synonym | neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol |
| IUPAC Name | 2,2-dimethylpropane-1,3-diol |
| InChI Key | SLCVBVWXLSEKPL-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
2-Hydroxy-2-methylpropiophenone 96.0+%, TCI America™
CAS: 7473-98-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00040710 InChI Key: XMLYCEVDHLAQEL-UHFFFAOYSA-N Synonym: 2-Benzoyl-2-propanol PubChem CID: 81984 IUPAC Name: 2-hydroxy-2-methyl-1-phenylpropan-1-one SMILES: CC(C)(C(=O)C1=CC=CC=C1)O
| PubChem CID | 81984 |
|---|---|
| CAS | 7473-98-5 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00040710 |
| SMILES | CC(C)(C(=O)C1=CC=CC=C1)O |
| Synonym | 2-Benzoyl-2-propanol |
| IUPAC Name | 2-hydroxy-2-methyl-1-phenylpropan-1-one |
| InChI Key | XMLYCEVDHLAQEL-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
2'-Hydroxyacetophenone, 98%
CAS: 118-93-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002219 InChI Key: JECYUBVRTQDVAT-UHFFFAOYSA-N Synonym: 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone PubChem CID: 8375 IUPAC Name: 1-(2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1O
| PubChem CID | 8375 |
|---|---|
| CAS | 118-93-4 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00002219 |
| SMILES | CC(=O)C1=CC=CC=C1O |
| Synonym | 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone |
| IUPAC Name | 1-(2-hydroxyphenyl)ethanone |
| InChI Key | JECYUBVRTQDVAT-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
1-Ethoxy-2-propanol, 95%
CAS: 1569-02-4 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00067050 InChI Key: JOLQKTGDSGKSKJ-UHFFFAOYNA-N Synonym: 1-ethoxy-2-propanol,propylene glycol monoethyl ether,2-propanol, 1-ethoxy,propylene glycol ethyl ether,1-ethoxy-propan-2-ol,arcosolv r pe,1-ethoxy-2-propan,1-ethoxy-2-propano,acmc-1byqk,2-hydroxypropylethylether PubChem CID: 15287 IUPAC Name: 1-ethoxypropan-2-ol SMILES: CCOCC(C)O
| PubChem CID | 15287 |
|---|---|
| CAS | 1569-02-4 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00067050 |
| SMILES | CCOCC(C)O |
| Synonym | 1-ethoxy-2-propanol,propylene glycol monoethyl ether,2-propanol, 1-ethoxy,propylene glycol ethyl ether,1-ethoxy-propan-2-ol,arcosolv r pe,1-ethoxy-2-propan,1-ethoxy-2-propano,acmc-1byqk,2-hydroxypropylethylether |
| IUPAC Name | 1-ethoxypropan-2-ol |
| InChI Key | JOLQKTGDSGKSKJ-UHFFFAOYNA-N |
| Molecular Formula | C5H12O2 |
Dimethyl malonate, 99+%
CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.12 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC
| PubChem CID | 7943 |
|---|---|
| CAS | 108-59-8 |
| Molecular Weight (g/mol) | 132.12 |
| MDL Number | MFCD00008460 |
| SMILES | COC(=O)CC(=O)OC |
| Synonym | dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester |
| IUPAC Name | dimethyl propanedioate |
| InChI Key | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
2-Phenylethanol, 98+%
CAS: 60-12-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002886 InChI Key: WRMNZCZEMHIOCP-UHFFFAOYSA-N Synonym: phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol PubChem CID: 6054 ChEBI: CHEBI:49000 SMILES: OCCC1=CC=CC=C1
| PubChem CID | 6054 |
|---|---|
| CAS | 60-12-8 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:49000 |
| MDL Number | MFCD00002886 |
| SMILES | OCCC1=CC=CC=C1 |
| Synonym | phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol |
| InChI Key | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
2-Methyl-3-buten-2-ol, 97%
CAS: 115-18-4 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00004470 InChI Key: HNVRRHSXBLFLIG-UHFFFAOYSA-N Synonym: 2-methyl-3-buten-2-ol,1,1-dimethylallyl alcohol,methylbutenol,3-buten-2-ol, 2-methyl,3-hydroxy-3-methyl-1-butene,dimethylvinylcarbinol,dimethylvinylmethanol,vinyldimethylcarbinol,isoprenyl alcohol,3-methyl-1-buten-3-ol PubChem CID: 8257 IUPAC Name: 2-methylbut-3-en-2-ol SMILES: CC(C)(C=C)O
| PubChem CID | 8257 |
|---|---|
| CAS | 115-18-4 |
| Molecular Weight (g/mol) | 86.13 |
| MDL Number | MFCD00004470 |
| SMILES | CC(C)(C=C)O |
| Synonym | 2-methyl-3-buten-2-ol,1,1-dimethylallyl alcohol,methylbutenol,3-buten-2-ol, 2-methyl,3-hydroxy-3-methyl-1-butene,dimethylvinylcarbinol,dimethylvinylmethanol,vinyldimethylcarbinol,isoprenyl alcohol,3-methyl-1-buten-3-ol |
| IUPAC Name | 2-methylbut-3-en-2-ol |
| InChI Key | HNVRRHSXBLFLIG-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
1,3-Dibromoacetone, 95%
CAS: 816-39-7 Molecular Formula: C3H4Br2O Molecular Weight (g/mol): 215.872 MDL Number: MFCD00013540 InChI Key: LQQKDSXCDXHLLF-UHFFFAOYSA-N Synonym: 1,3-dibromoacetone,1,3-dibromo-2-propanone,2-propanone, 1,3-dibromo,1,3-dibromopropanone,bromomethyl ketone,bromomethylketone,sgqdllrxbrwsp@,1,3-dibromacetone,acmc-20ap4e,2-propanone,3-dibromo PubChem CID: 69952 IUPAC Name: 1,3-dibromopropan-2-one SMILES: C(C(=O)CBr)Br
| PubChem CID | 69952 |
|---|---|
| CAS | 816-39-7 |
| Molecular Weight (g/mol) | 215.872 |
| MDL Number | MFCD00013540 |
| SMILES | C(C(=O)CBr)Br |
| Synonym | 1,3-dibromoacetone,1,3-dibromo-2-propanone,2-propanone, 1,3-dibromo,1,3-dibromopropanone,bromomethyl ketone,bromomethylketone,sgqdllrxbrwsp@,1,3-dibromacetone,acmc-20ap4e,2-propanone,3-dibromo |
| IUPAC Name | 1,3-dibromopropan-2-one |
| InChI Key | LQQKDSXCDXHLLF-UHFFFAOYSA-N |
| Molecular Formula | C3H4Br2O |
4-Carboxybenzaldehyde, 96%
CAS: 619-66-9 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.13 MDL Number: MFCD00006951 InChI Key: GOUHYARYYWKXHS-UHFFFAOYSA-N Synonym: 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e PubChem CID: 12088 IUPAC Name: 4-formylbenzoic acid SMILES: C1=CC(=CC=C1C=O)C(=O)O
| PubChem CID | 12088 |
|---|---|
| CAS | 619-66-9 |
| Molecular Weight (g/mol) | 150.13 |
| MDL Number | MFCD00006951 |
| SMILES | C1=CC(=CC=C1C=O)C(=O)O |
| Synonym | 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e |
| IUPAC Name | 4-formylbenzoic acid |
| InChI Key | GOUHYARYYWKXHS-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
2',4'-Dichloroacetophenone, 97%
CAS: 2234-16-4 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000581 InChI Key: XMCRWEBERCXJCH-UHFFFAOYSA-N Synonym: 2',4'-dichloroacetophenone,1-2,4-dichlorophenyl ethanone,2,4-dichloroacetophenone,ethanone, 1-2,4-dichlorophenyl,1-2,4-dichlorophenyl ethan-1-one,p-chloro-2-chloroacetophenone,acetophenone, 2',4'-dichloro,unii-t7f2608h5h,2',4'-dichloro phenyl ethanone,1-2,4-dichloro-phenyl-ethanone PubChem CID: 16693 IUPAC Name: 1-(2,4-dichlorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)Cl)Cl
| PubChem CID | 16693 |
|---|---|
| CAS | 2234-16-4 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00000581 |
| SMILES | CC(=O)C1=C(C=C(C=C1)Cl)Cl |
| Synonym | 2',4'-dichloroacetophenone,1-2,4-dichlorophenyl ethanone,2,4-dichloroacetophenone,ethanone, 1-2,4-dichlorophenyl,1-2,4-dichlorophenyl ethan-1-one,p-chloro-2-chloroacetophenone,acetophenone, 2',4'-dichloro,unii-t7f2608h5h,2',4'-dichloro phenyl ethanone,1-2,4-dichloro-phenyl-ethanone |
| IUPAC Name | 1-(2,4-dichlorophenyl)ethanone |
| InChI Key | XMCRWEBERCXJCH-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
2-Ketoglutaric acid, 98%
CAS: 328-50-7 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00004165 InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N Synonym: 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid PubChem CID: 51 ChEBI: CHEBI:30915 IUPAC Name: 2-oxopentanedioic acid SMILES: C(CC(=O)O)C(=O)C(=O)O
| PubChem CID | 51 |
|---|---|
| CAS | 328-50-7 |
| Molecular Weight (g/mol) | 146.098 |
| ChEBI | CHEBI:30915 |
| MDL Number | MFCD00004165 |
| SMILES | C(CC(=O)O)C(=O)C(=O)O |
| Synonym | 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid |
| IUPAC Name | 2-oxopentanedioic acid |
| InChI Key | KPGXRSRHYNQIFN-UHFFFAOYSA-N |
| Molecular Formula | C5H6O5 |
Phenylglyoxal monohydrate, 97%
CAS: 1075-06-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00149499 InChI Key: NBIBDIKAOBCFJN-UHFFFAOYSA-N Synonym: dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone PubChem CID: 99611 IUPAC Name: 2,2-dihydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(O)O
| PubChem CID | 99611 |
|---|---|
| CAS | 1075-06-5 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00149499 |
| SMILES | C1=CC=C(C=C1)C(=O)C(O)O |
| Synonym | dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone |
| IUPAC Name | 2,2-dihydroxy-1-phenylethanone |
| InChI Key | NBIBDIKAOBCFJN-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2-(2-Aminoethoxy)ethanol, 98%
CAS: 929-06-6 Molecular Formula: C4H11NO2 Molecular Weight (g/mol): 105.14 InChI Key: GIAFURWZWWWBQT-UHFFFAOYSA-N Synonym: 2-2-aminoethoxy ethanol,diglycolamine,2-aminoethoxyethanol,ethanol, 2-2-aminoethoxy,diethylene glycol amine,2-2-hydroxyethoxy ethylamine,diethylene glycol monoamine,2-amino-2'-hydroxydiethyl ether,1-amino-2-2-hydroxyethoxy ethane,5-hydroxy-3-oxapentylamine PubChem CID: 13578 IUPAC Name: 2-(2-aminoethoxy)ethanol SMILES: C(COCCO)N
| PubChem CID | 13578 |
|---|---|
| CAS | 929-06-6 |
| Molecular Weight (g/mol) | 105.14 |
| SMILES | C(COCCO)N |
| Synonym | 2-2-aminoethoxy ethanol,diglycolamine,2-aminoethoxyethanol,ethanol, 2-2-aminoethoxy,diethylene glycol amine,2-2-hydroxyethoxy ethylamine,diethylene glycol monoamine,2-amino-2'-hydroxydiethyl ether,1-amino-2-2-hydroxyethoxy ethane,5-hydroxy-3-oxapentylamine |
| IUPAC Name | 2-(2-aminoethoxy)ethanol |
| InChI Key | GIAFURWZWWWBQT-UHFFFAOYSA-N |
| Molecular Formula | C4H11NO2 |