Organooxygen compounds
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Trimethyl orthoformate, 99%
CAS: 149-73-5 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.12 MDL Number: MFCD00008483 InChI Key: PYOKUURKVVELLB-UHFFFAOYSA-N Synonym: trimethyl orthoformate,methyl orthoformate,methane, trimethoxy,orthoformic acid, trimethyl ester,orthoformic acid methyl ester,orthomravencan methylnaty,methoxymethylal,methylester kyseliny orthomravenci,unii-xam28819yj,orthoformic acid trimethyl ester PubChem CID: 9005 IUPAC Name: trimethoxymethane SMILES: COC(OC)OC
| PubChem CID | 9005 |
|---|---|
| CAS | 149-73-5 |
| Molecular Weight (g/mol) | 106.12 |
| MDL Number | MFCD00008483 |
| SMILES | COC(OC)OC |
| Synonym | trimethyl orthoformate,methyl orthoformate,methane, trimethoxy,orthoformic acid, trimethyl ester,orthoformic acid methyl ester,orthomravencan methylnaty,methoxymethylal,methylester kyseliny orthomravenci,unii-xam28819yj,orthoformic acid trimethyl ester |
| IUPAC Name | trimethoxymethane |
| InChI Key | PYOKUURKVVELLB-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
4-Methylcyclohexanol, cis + trans, 98%
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 |
Octanophenone, 99+%
CAS: 1674-37-9 Molecular Formula: C14H20O Molecular Weight (g/mol): 204.31 MDL Number: MFCD00003554 InChI Key: UDEVCZRUNOLVLU-UHFFFAOYSA-N Synonym: octanophenone,heptyl phenyl ketone,1-octanone, 1-phenyl,caprylophenone,n-octanophenone,ketone, heptyl phenyl,4-n-butylbutyrophenone,1-phenyl-octan-1-one,acmc-1axlq PubChem CID: 74291 IUPAC Name: 1-phenyloctan-1-one SMILES: CCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 74291 |
|---|---|
| CAS | 1674-37-9 |
| Molecular Weight (g/mol) | 204.31 |
| MDL Number | MFCD00003554 |
| SMILES | CCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | octanophenone,heptyl phenyl ketone,1-octanone, 1-phenyl,caprylophenone,n-octanophenone,ketone, heptyl phenyl,4-n-butylbutyrophenone,1-phenyl-octan-1-one,acmc-1axlq |
| IUPAC Name | 1-phenyloctan-1-one |
| InChI Key | UDEVCZRUNOLVLU-UHFFFAOYSA-N |
| Molecular Formula | C14H20O |
Oxalacetic acid, 98%
CAS: 328-42-7 Molecular Formula: C4H4O5 Molecular Weight (g/mol): 132.07 MDL Number: MFCD00002592 InChI Key: KHPXUQMNIQBQEV-UHFFFAOYSA-N Synonym: oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate PubChem CID: 970 ChEBI: CHEBI:30744 IUPAC Name: 2-oxobutanedioic acid SMILES: C(C(=O)C(=O)O)C(=O)O
| PubChem CID | 970 |
|---|---|
| CAS | 328-42-7 |
| Molecular Weight (g/mol) | 132.07 |
| ChEBI | CHEBI:30744 |
| MDL Number | MFCD00002592 |
| SMILES | C(C(=O)C(=O)O)C(=O)O |
| Synonym | oxalacetic acid,oxaloacetic acid,2-oxosuccinic acid,oxaloacetate,ketosuccinic acid,oxosuccinic acid,2-ketosuccinic acid,butanedioic acid, oxo,oxobutanedioic acid,oxalacetate |
| IUPAC Name | 2-oxobutanedioic acid |
| InChI Key | KHPXUQMNIQBQEV-UHFFFAOYSA-N |
| Molecular Formula | C4H4O5 |
2,7-Dibromo-9-fluorenone, 96%
CAS: 14348-75-5 Molecular Formula: C13H6Br2O Molecular Weight (g/mol): 337.998 MDL Number: MFCD00010790 InChI Key: CWGRCRZFJOXQFV-UHFFFAOYSA-N Synonym: 2,7-dibromo-9-fluorenone,2,7-dibromo-9h-fluoren-9-one,2,7-dibromo-fluoren-9-one,2,7-dibromofluorenone,2,7-dibromo-fluorenone,9h-fluoren-9-one, 2,7-dibromo,2,7-dibrom-9h-fluoren-9-on,pubchem19652,acmc-209cqp,maybridge1_002427 PubChem CID: 259922 IUPAC Name: 2,7-dibromofluoren-9-one SMILES: C1=CC2=C(C=C1Br)C(=O)C3=C2C=CC(=C3)Br
| PubChem CID | 259922 |
|---|---|
| CAS | 14348-75-5 |
| Molecular Weight (g/mol) | 337.998 |
| MDL Number | MFCD00010790 |
| SMILES | C1=CC2=C(C=C1Br)C(=O)C3=C2C=CC(=C3)Br |
| Synonym | 2,7-dibromo-9-fluorenone,2,7-dibromo-9h-fluoren-9-one,2,7-dibromo-fluoren-9-one,2,7-dibromofluorenone,2,7-dibromo-fluorenone,9h-fluoren-9-one, 2,7-dibromo,2,7-dibrom-9h-fluoren-9-on,pubchem19652,acmc-209cqp,maybridge1_002427 |
| IUPAC Name | 2,7-dibromofluoren-9-one |
| InChI Key | CWGRCRZFJOXQFV-UHFFFAOYSA-N |
| Molecular Formula | C13H6Br2O |
Ethyl 4-chloroacetoacetate, 97%
CAS: 638-07-3 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.585 MDL Number: MFCD00000939 InChI Key: OHLRLMWUFVDREV-UHFFFAOYSA-N Synonym: ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate PubChem CID: 69484 IUPAC Name: ethyl 4-chloro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)CCl
| PubChem CID | 69484 |
|---|---|
| CAS | 638-07-3 |
| Molecular Weight (g/mol) | 164.585 |
| MDL Number | MFCD00000939 |
| SMILES | CCOC(=O)CC(=O)CCl |
| Synonym | ethyl 4-chloroacetoacetate,4-chloroacetoacetic acid ethyl ester,butanoic acid, 4-chloro-3-oxo-, ethyl ester,ethyl gamma-chloroacetoacetate,unii-5ae82250cm,ccris 6791,ethyl chloroacetyl acetate,butanoic acid, 4-chloro-3-oxo-ethylester,ethyl 4-chloro-3-oxobutyrate,ethyl 4-chloro-3-oxo-butanoate |
| IUPAC Name | ethyl 4-chloro-3-oxobutanoate |
| InChI Key | OHLRLMWUFVDREV-UHFFFAOYSA-N |
| Molecular Formula | C6H9ClO3 |
Ethyl acetoacetate, 99+%, extra pure
CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C
| PubChem CID | 8868 |
|---|---|
| CAS | 141-97-9 |
| Molecular Weight (g/mol) | 130.14 |
| ChEBI | CHEBI:4893 |
| MDL Number | MFCD00009199 |
| SMILES | CCOC(=O)CC(=O)C |
| Synonym | ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate |
| IUPAC Name | ethyl 3-oxobutanoate |
| InChI Key | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
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 |
3-Furaldehyde, 98%, stabilized
CAS: 498-60-2 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.08 InChI Key: AZVSIHIBYRHSLB-UHFFFAOYSA-N Synonym: 3-furaldehyde,3-furancarboxaldehyde,furan-3-carboxaldehyde,3-formylfuran,3-furfural,unii-pob632x444,3furaldehyde,3-furancarbaldehyde,pubchem6948 PubChem CID: 10351 ChEBI: CHEBI:87609 IUPAC Name: furan-3-carbaldehyde SMILES: C1=COC=C1C=O
| PubChem CID | 10351 |
|---|---|
| CAS | 498-60-2 |
| Molecular Weight (g/mol) | 96.08 |
| ChEBI | CHEBI:87609 |
| SMILES | C1=COC=C1C=O |
| Synonym | 3-furaldehyde,3-furancarboxaldehyde,furan-3-carboxaldehyde,3-formylfuran,3-furfural,unii-pob632x444,3furaldehyde,3-furancarbaldehyde,pubchem6948 |
| IUPAC Name | furan-3-carbaldehyde |
| InChI Key | AZVSIHIBYRHSLB-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
Dexamethasone 21-phosphate disodium salt, 98%
CAS: 2392-39-4 Molecular Formula: C22H28FNa2O8P Molecular Weight (g/mol): 516.41 MDL Number: MFCD00079105 InChI Key: PLCQGRYPOISRTQ-FCJDYXGNSA-L Synonym: dexamethasone sodium phosphate,dexamethasone 21-phosphate disodium salt,dalalone,dexadreson,dexagro,megacort,soldesam,spersadox,decdan,solu-decadron PubChem CID: 16961 ChEBI: CHEBI:4462 IUPAC Name: disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
| PubChem CID | 16961 |
|---|---|
| CAS | 2392-39-4 |
| Molecular Weight (g/mol) | 516.41 |
| ChEBI | CHEBI:4462 |
| MDL Number | MFCD00079105 |
| SMILES | CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] |
| Synonym | dexamethasone sodium phosphate,dexamethasone 21-phosphate disodium salt,dalalone,dexadreson,dexagro,megacort,soldesam,spersadox,decdan,solu-decadron |
| IUPAC Name | disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate |
| InChI Key | PLCQGRYPOISRTQ-FCJDYXGNSA-L |
| Molecular Formula | C22H28FNa2O8P |
Valeraldehyde, 96%
CAS: 110-62-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007026 InChI Key: HGBOYTHUEUWSSQ-UHFFFAOYSA-N Synonym: valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde PubChem CID: 8063 ChEBI: CHEBI:84069 IUPAC Name: pentanal SMILES: CCCCC=O
| PubChem CID | 8063 |
|---|---|
| CAS | 110-62-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:84069 |
| MDL Number | MFCD00007026 |
| SMILES | CCCCC=O |
| Synonym | valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde |
| IUPAC Name | pentanal |
| InChI Key | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone 98.0+%, TCI America™
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CAS: 106797-53-9 Molecular Formula: C12H16O4 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00085267 InChI Key: GJKGAPPUXSSCFI-UHFFFAOYSA-N Synonym: 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanone PubChem CID: 86266 IUPAC Name: 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one SMILES: CC(C)(O)C(=O)C1=CC=C(OCCO)C=C1
| PubChem CID | 86266 |
|---|---|
| CAS | 106797-53-9 |
| Molecular Weight (g/mol) | 224.26 |
| MDL Number | MFCD00085267 |
| SMILES | CC(C)(O)C(=O)C1=CC=C(OCCO)C=C1 |
| Synonym | 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanone |
| IUPAC Name | 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one |
| InChI Key | GJKGAPPUXSSCFI-UHFFFAOYSA-N |
| Molecular Formula | C12H16O4 |
Pyruvic acid, 98%, extra pure
CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O
| PubChem CID | 1060 |
|---|---|
| CAS | 127-17-3 |
| Molecular Weight (g/mol) | 88.06 |
| ChEBI | CHEBI:32816 |
| MDL Number | MFCD00002585 |
| SMILES | CC(=O)C(O)=O |
| Synonym | pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure |
| IUPAC Name | 2-oxopropanoic acid |
| InChI Key | LCTONWCANYUPML-UHFFFAOYSA-N |
| Molecular Formula | C3H4O3 |
Phorbol 12-myristate 13-acetate, ≥99%, MP Biomedicals™
CAS: 16561-29-8 Molecular Formula: C36H56O8 Molecular Weight (g/mol): 616.84 MDL Number: MFCD00036736 InChI Key: PHEDXBVPIONUQT-RGYGYFBISA-N Synonym: phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate PubChem CID: 27924 ChEBI: CHEBI:37537 IUPAC Name: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
| PubChem CID | 27924 |
|---|---|
| CAS | 16561-29-8 |
| Molecular Weight (g/mol) | 616.84 |
| ChEBI | CHEBI:37537 |
| MDL Number | MFCD00036736 |
| SMILES | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |
| Synonym | phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate |
| IUPAC Name | (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate |
| InChI Key | PHEDXBVPIONUQT-RGYGYFBISA-N |
| Molecular Formula | C36H56O8 |
alpha-Bisabolol, 96%
CAS: 515-69-5 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.372 MDL Number: MFCD03846910 InChI Key: RGZSQWQPBWRIAQ-LSDHHAIUSA-N Synonym: bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 PubChem CID: 1549992 IUPAC Name: (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol SMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
| PubChem CID | 1549992 |
|---|---|
| CAS | 515-69-5 |
| Molecular Weight (g/mol) | 222.372 |
| MDL Number | MFCD03846910 |
| SMILES | CC1=CCC(CC1)C(C)(CCC=C(C)C)O |
| Synonym | bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 |
| IUPAC Name | (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol |
| InChI Key | RGZSQWQPBWRIAQ-LSDHHAIUSA-N |
| Molecular Formula | C15H26O |