Organooxygen compounds
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1,1,1-Trifluoro-2,4-pentanedione, 98%
CAS: 367-57-7 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00000427 InChI Key: SHXHPUAKLCCLDV-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone PubChem CID: 73943 IUPAC Name: 1,1,1-trifluoropentane-2,4-dione SMILES: CC(=O)CC(=O)C(F)(F)F
| PubChem CID | 73943 |
|---|---|
| CAS | 367-57-7 |
| Molecular Weight (g/mol) | 154.09 |
| MDL Number | MFCD00000427 |
| SMILES | CC(=O)CC(=O)C(F)(F)F |
| Synonym | 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone |
| IUPAC Name | 1,1,1-trifluoropentane-2,4-dione |
| InChI Key | SHXHPUAKLCCLDV-UHFFFAOYSA-N |
| Molecular Formula | C5H5F3O2 |
Monothioglycerol, NF, 97-101%, Spectrum™ Chemical
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CAS: 96-27-5 Molecular Formula: C3H8O2S Molecular Weight (g/mol): 108.16 MDL Number: MFCD00004879 InChI Key: PJUIMOJAAPLTRJ-UHFFFAOYNA-N IUPAC Name: 3-sulfanylpropane-1,2-diol SMILES: OCC(O)CS
| CAS | 96-27-5 |
|---|---|
| Molecular Weight (g/mol) | 108.16 |
| MDL Number | MFCD00004879 |
| SMILES | OCC(O)CS |
| IUPAC Name | 3-sulfanylpropane-1,2-diol |
| InChI Key | PJUIMOJAAPLTRJ-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2S |
Dipentaerythritol, 80+%, technical
CAS: 126-58-9 Molecular Formula: C10H22O7 Molecular Weight (g/mol): 254.28 MDL Number: MFCD00004691 InChI Key: TXBCBTDQIULDIA-UHFFFAOYSA-N Synonym: dipentaerythritol,dipentek,2,2'-oxybis methylene bis 2-hydroxymethyl propane-1,3-diol,bis pentaerythritol,1,3-propanediol, 2,2'-oxybis methylene bis 2-hydroxymethyl,2,2,2',2'-tetrakis hydroxymethyl-3,3'-oxydipropan-1-ol,1,3-propanediol, 2,2'-oxybis-methylene,2-3-hydroxy-2,2-bis hydroxymethyl propoxy methyl-2-hydroxymethyl propane-1,3-diol PubChem CID: 31352 IUPAC Name: 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol SMILES: C(C(CO)(CO)COCC(CO)(CO)CO)O
| PubChem CID | 31352 |
|---|---|
| CAS | 126-58-9 |
| Molecular Weight (g/mol) | 254.28 |
| MDL Number | MFCD00004691 |
| SMILES | C(C(CO)(CO)COCC(CO)(CO)CO)O |
| Synonym | dipentaerythritol,dipentek,2,2'-oxybis methylene bis 2-hydroxymethyl propane-1,3-diol,bis pentaerythritol,1,3-propanediol, 2,2'-oxybis methylene bis 2-hydroxymethyl,2,2,2',2'-tetrakis hydroxymethyl-3,3'-oxydipropan-1-ol,1,3-propanediol, 2,2'-oxybis-methylene,2-3-hydroxy-2,2-bis hydroxymethyl propoxy methyl-2-hydroxymethyl propane-1,3-diol |
| IUPAC Name | 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol |
| InChI Key | TXBCBTDQIULDIA-UHFFFAOYSA-N |
| Molecular Formula | C10H22O7 |
trans,trans-2,4-Dodecadienal, 90+%, remainder mainly trans, cis isomer
CAS: 21662-16-8 Molecular Formula: C12H20O Molecular Weight (g/mol): 180.29 MDL Number: MFCD00014678 InChI Key: QKTZBZWNADPFOL-BNFZFUHLSA-N Synonym: 2e,4e-dodeca-2,4-dienal,2,4-dodecadienal,e,e-2,4-dodecadienal,trans,trans-2,4-dodecadienal,2,4-dodecadien-1-al,2e,4e-2,4-dodecadienal,e,e-2,4-dodecadien-1-al,2,4-dodecadienal, e,e,unii-vo340rj9lu PubChem CID: 5367530 IUPAC Name: (2E,4E)-dodeca-2,4-dienal SMILES: CCCCCCC\C=C\C=C\C=O
| PubChem CID | 5367530 |
|---|---|
| CAS | 21662-16-8 |
| Molecular Weight (g/mol) | 180.29 |
| MDL Number | MFCD00014678 |
| SMILES | CCCCCCC\C=C\C=C\C=O |
| Synonym | 2e,4e-dodeca-2,4-dienal,2,4-dodecadienal,e,e-2,4-dodecadienal,trans,trans-2,4-dodecadienal,2,4-dodecadien-1-al,2e,4e-2,4-dodecadienal,e,e-2,4-dodecadien-1-al,2,4-dodecadienal, e,e,unii-vo340rj9lu |
| IUPAC Name | (2E,4E)-dodeca-2,4-dienal |
| InChI Key | QKTZBZWNADPFOL-BNFZFUHLSA-N |
| Molecular Formula | C12H20O |
4-Bromo-2-methoxypyridine, 98%
CAS: 100367-39-3 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.024 MDL Number: MFCD08277268 InChI Key: YFTGMMXMLPTTAY-UHFFFAOYSA-N Synonym: 2-methoxy-4-bromopyridine,4-bromo-2-methoxy-pyridine,pyridine, 4-bromo-2-methoxy,pubchem6657,ksc494g1d,acmc-1c790,abbypharma ap-17-5965 PubChem CID: 14062309 IUPAC Name: 4-bromo-2-methoxypyridine SMILES: COC1=NC=CC(=C1)Br
| PubChem CID | 14062309 |
|---|---|
| CAS | 100367-39-3 |
| Molecular Weight (g/mol) | 188.024 |
| MDL Number | MFCD08277268 |
| SMILES | COC1=NC=CC(=C1)Br |
| Synonym | 2-methoxy-4-bromopyridine,4-bromo-2-methoxy-pyridine,pyridine, 4-bromo-2-methoxy,pubchem6657,ksc494g1d,acmc-1c790,abbypharma ap-17-5965 |
| IUPAC Name | 4-bromo-2-methoxypyridine |
| InChI Key | YFTGMMXMLPTTAY-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
5-Methoxy-1-indanone, 98%
CAS: 5111-70-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00003789 InChI Key: QOPRWBRNMPANKN-UHFFFAOYSA-N Synonym: 5-methoxy-1-indanone,5-methoxyindan-1-one,5-methoxy-2,3-dihydro-1h-inden-1-one,5-methoxyindanone,2,3-dihydro-5-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-5-methoxy,5-methoxy indanone,5-methoxyhydrindone,pubchem2031,1-oxo-5-methoxyindane PubChem CID: 78787 IUPAC Name: 5-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC2=C(C=C1)C(=O)CC2
| PubChem CID | 78787 |
|---|---|
| CAS | 5111-70-6 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD00003789 |
| SMILES | COC1=CC2=C(C=C1)C(=O)CC2 |
| Synonym | 5-methoxy-1-indanone,5-methoxyindan-1-one,5-methoxy-2,3-dihydro-1h-inden-1-one,5-methoxyindanone,2,3-dihydro-5-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-5-methoxy,5-methoxy indanone,5-methoxyhydrindone,pubchem2031,1-oxo-5-methoxyindane |
| IUPAC Name | 5-methoxy-2,3-dihydroinden-1-one |
| InChI Key | QOPRWBRNMPANKN-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
3,4-Dimethoxybenzaldehyde, Spectrum™ Chemical
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CAS: 120-14-9 Molecular Weight (g/mol): 166.18
| CAS | 120-14-9 |
|---|---|
| Molecular Weight (g/mol) | 166.18 |
2-Furancarboxyaldehyde, ACS, 98%, Spectrum™ Chemical
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2-Methoxyethanol, ACS, 99%3, Spectrum™ Chemical
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CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N IUPAC Name: 2-methoxyethan-1-ol SMILES: COCCO
| CAS | 109-86-4 |
|---|---|
| Molecular Weight (g/mol) | 76.10 |
| SMILES | COCCO |
| IUPAC Name | 2-methoxyethan-1-ol |
| InChI Key | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
2-Butoxyethyl Acetate, Spectrum™ Chemical
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CAS: 112-07-2 Molecular Formula: C8H16O3 Molecular Weight (g/mol): 160.21 InChI Key: NQBXSWAWVZHKBZ-UHFFFAOYSA-N IUPAC Name: 2-butoxyethyl acetate SMILES: CCCCOCCOC(C)=O
| CAS | 112-07-2 |
|---|---|
| Molecular Weight (g/mol) | 160.21 |
| SMILES | CCCCOCCOC(C)=O |
| IUPAC Name | 2-butoxyethyl acetate |
| InChI Key | NQBXSWAWVZHKBZ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O3 |
3,3-Dimethylbutyraldehyde, 97%
CAS: 2987-16-8 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00042807 InChI Key: LTNUSYNQZJZUSY-UHFFFAOYSA-N Synonym: 3,3-dimethylbutyraldehyde,3,3-dimethyl-butyraldehyde,butanal, 3,3-dimethyl,unii-cam6hd7jki,tert-butylacetaldehyde,3,3-dimethyl-butanal,cam6hd7jki,neohexal,pubchem3076,3,3-dimethylbutyraldehyd PubChem CID: 76335 IUPAC Name: 3,3-dimethylbutanal SMILES: CC(C)(C)CC=O
| PubChem CID | 76335 |
|---|---|
| CAS | 2987-16-8 |
| Molecular Weight (g/mol) | 100.161 |
| MDL Number | MFCD00042807 |
| SMILES | CC(C)(C)CC=O |
| Synonym | 3,3-dimethylbutyraldehyde,3,3-dimethyl-butyraldehyde,butanal, 3,3-dimethyl,unii-cam6hd7jki,tert-butylacetaldehyde,3,3-dimethyl-butanal,cam6hd7jki,neohexal,pubchem3076,3,3-dimethylbutyraldehyd |
| IUPAC Name | 3,3-dimethylbutanal |
| InChI Key | LTNUSYNQZJZUSY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
Phorbol 12-Myristate 13-acetate, Molecular biology reagent grade, 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 |
Dibenzofuran-2-carboxaldehyde, 98%
CAS: 5397-82-0 Molecular Formula: C13H8O2 Molecular Weight (g/mol): 196.21 MDL Number: MFCD00136272 InChI Key: OVJMIWIVPWPZMN-UHFFFAOYSA-N Synonym: dibenzo b,d furan-2-carbaldehyde,2-dibenzofurancarboxaldehyde,dibenzofuran-2-carboxaldehyde,dibenzo b,d furan-2-carboxaldehyde,8-oxatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene-4-carbaldehyde,2-dibenzofurancarbaldehyde,dibenzo b furan-2-carbaldehyde,benzo b benzofuran-2-carboxaldehyde,8-oxatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2,4,6,10,12-hexaene-4-carbaldehyde,8-oxatricyclo 7.4.0.0?,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene-4-carbaldehyde PubChem CID: 220843 SMILES: O=CC1=CC2=C(OC3=C2C=CC=C3)C=C1
| PubChem CID | 220843 |
|---|---|
| CAS | 5397-82-0 |
| Molecular Weight (g/mol) | 196.21 |
| MDL Number | MFCD00136272 |
| SMILES | O=CC1=CC2=C(OC3=C2C=CC=C3)C=C1 |
| Synonym | dibenzo b,d furan-2-carbaldehyde,2-dibenzofurancarboxaldehyde,dibenzofuran-2-carboxaldehyde,dibenzo b,d furan-2-carboxaldehyde,8-oxatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene-4-carbaldehyde,2-dibenzofurancarbaldehyde,dibenzo b furan-2-carbaldehyde,benzo b benzofuran-2-carboxaldehyde,8-oxatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2,4,6,10,12-hexaene-4-carbaldehyde,8-oxatricyclo 7.4.0.0?,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene-4-carbaldehyde |
| InChI Key | OVJMIWIVPWPZMN-UHFFFAOYSA-N |
| Molecular Formula | C13H8O2 |
Bromoacetaldehyde dimethyl acetal, 97%, stabilized
CAS: 7252-83-7 Molecular Formula: C4H9BrO2 Molecular Weight (g/mol): 169.02 MDL Number: MFCD00000213 InChI Key: FUSFWUFSEJXMRQ-UHFFFAOYSA-N Synonym: bromoacetaldehyde dimethyl acetal,ethane, 2-bromo-1,1-dimethoxy,2,2-dimethoxyethyl bromide,dimethylbromoacetal,1-bromo-2,2-dimethoxyethane,2,2-dimethoxybromoethane,2-bromoacetaldehyde dimethyl acetal,bromoacetoaldehyde dimethyl acetal,bromoacetaldehyde dimethylacetal,acetaldehyde, bromo-, dimethyl acetal PubChem CID: 81672 IUPAC Name: 2-bromo-1,1-dimethoxyethane SMILES: COC(CBr)OC
| PubChem CID | 81672 |
|---|---|
| CAS | 7252-83-7 |
| Molecular Weight (g/mol) | 169.02 |
| MDL Number | MFCD00000213 |
| SMILES | COC(CBr)OC |
| Synonym | bromoacetaldehyde dimethyl acetal,ethane, 2-bromo-1,1-dimethoxy,2,2-dimethoxyethyl bromide,dimethylbromoacetal,1-bromo-2,2-dimethoxyethane,2,2-dimethoxybromoethane,2-bromoacetaldehyde dimethyl acetal,bromoacetoaldehyde dimethyl acetal,bromoacetaldehyde dimethylacetal,acetaldehyde, bromo-, dimethyl acetal |
| IUPAC Name | 2-bromo-1,1-dimethoxyethane |
| InChI Key | FUSFWUFSEJXMRQ-UHFFFAOYSA-N |
| Molecular Formula | C4H9BrO2 |
3',4'-Dimethoxyacetophenone, 98+%
CAS: 1131-62-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00008737 InChI Key: IQZLUWLMQNGTIW-UHFFFAOYSA-N Synonym: 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy PubChem CID: 14328 ChEBI: CHEBI:86576 IUPAC Name: 1-(3,4-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OC)OC
| PubChem CID | 14328 |
|---|---|
| CAS | 1131-62-0 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:86576 |
| MDL Number | MFCD00008737 |
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)OC |
| Synonym | 3',4'-dimethoxyacetophenone,1-3,4-dimethoxyphenyl ethanone,3,4-dimethoxyacetophenone,acetoveratrone,ethanone, 1-3,4-dimethoxyphenyl,1-3,4-dimethoxyphenyl ethan-1-one,3,4-dimethoxyphenyl methyl ketone,unii-5rv6436s8a,acetophenone, 3',4'-dimethoxy,acetophenone,4'-dimethoxy |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)ethanone |
| InChI Key | IQZLUWLMQNGTIW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |