Organooxygen compounds
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Propargyl Ether 98.0+%, TCI America™
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CAS: 6921-27-3 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.113 MDL Number: MFCD00048108 InChI Key: HRDCVMSNCBAMAM-UHFFFAOYSA-N Synonym: propargyl ether,dipropargyl ether,2-propynyl ether,1-propyne, 3,3'-oxybis,bispropargyl ether,3-prop-2-yn-1-yloxy prop-1-yne,propargyl-ether,dipropargyl oxide,di 2-propynyl ether,bis 2-propynyl ether PubChem CID: 23349 IUPAC Name: 3-prop-2-ynoxyprop-1-yne SMILES: C#CCOCC#C
| PubChem CID | 23349 |
|---|---|
| CAS | 6921-27-3 |
| Molecular Weight (g/mol) | 94.113 |
| MDL Number | MFCD00048108 |
| SMILES | C#CCOCC#C |
| Synonym | propargyl ether,dipropargyl ether,2-propynyl ether,1-propyne, 3,3'-oxybis,bispropargyl ether,3-prop-2-yn-1-yloxy prop-1-yne,propargyl-ether,dipropargyl oxide,di 2-propynyl ether,bis 2-propynyl ether |
| IUPAC Name | 3-prop-2-ynoxyprop-1-yne |
| InChI Key | HRDCVMSNCBAMAM-UHFFFAOYSA-N |
| Molecular Formula | C6H6O |
5-Methyl-2,3-hexanedione 94.0+%, TCI America™
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CAS: 13706-86-0 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00059352 InChI Key: PQCLJXVUAWLNSV-UHFFFAOYSA-N Synonym: Acetylisovaleryl PubChem CID: 26204 IUPAC Name: 5-methylhexane-2,3-dione SMILES: CC(C)CC(=O)C(C)=O
| PubChem CID | 26204 |
|---|---|
| CAS | 13706-86-0 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00059352 |
| SMILES | CC(C)CC(=O)C(C)=O |
| Synonym | Acetylisovaleryl |
| IUPAC Name | 5-methylhexane-2,3-dione |
| InChI Key | PQCLJXVUAWLNSV-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)praseodymium(III) 97.0+%, TCI America™
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CAS: 17978-77-7 Molecular Formula: C30H33F21O6Pr Molecular Weight (g/mol): 1029.462 MDL Number: MFCD00064656 InChI Key: LICWBBABBAOMPH-VNGPFPIXSA-N Synonym: praseodymium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate PubChem CID: 131668219 IUPAC Name: (Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one;praseodymium SMILES: CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.[Pr]
| PubChem CID | 131668219 |
|---|---|
| CAS | 17978-77-7 |
| Molecular Weight (g/mol) | 1029.462 |
| MDL Number | MFCD00064656 |
| SMILES | CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)O.[Pr] |
| Synonym | praseodymium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate |
| IUPAC Name | (Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one;praseodymium |
| InChI Key | LICWBBABBAOMPH-VNGPFPIXSA-N |
| Molecular Formula | C30H33F21O6Pr |
1-Adamantaneethanol 98.0+%, TCI America™
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CAS: 6240-11-5 Molecular Formula: C12H20O Molecular Weight (g/mol): 180.29 MDL Number: MFCD00074756 InChI Key: ZBIDZPHRNBZTLT-UHFFFAOYSA-N Synonym: 1-adamantaneethanol,2-adamantan-1-yl ethanol,2-1-adamantyl ethanol,1-admantaneethanol,1-adamantane ethanol,tricyclo 3.3.1.13,7 decaneethanol 9ci,tricyclo 3.3.1.1 3,7-decane-1-ethanol,2-tricyclo 3.3.1.1'3,7 dec-1-yl ethanol,2-3r,5s,7s-adamantan-1-yl ethanol,2-adamantan-1-ylethanol PubChem CID: 110810 IUPAC Name: 2-(1-adamantyl)ethanol SMILES: C1C2CC3CC1CC(C2)(C3)CCO
| PubChem CID | 110810 |
|---|---|
| CAS | 6240-11-5 |
| Molecular Weight (g/mol) | 180.29 |
| MDL Number | MFCD00074756 |
| SMILES | C1C2CC3CC1CC(C2)(C3)CCO |
| Synonym | 1-adamantaneethanol,2-adamantan-1-yl ethanol,2-1-adamantyl ethanol,1-admantaneethanol,1-adamantane ethanol,tricyclo 3.3.1.13,7 decaneethanol 9ci,tricyclo 3.3.1.1 3,7-decane-1-ethanol,2-tricyclo 3.3.1.1'3,7 dec-1-yl ethanol,2-3r,5s,7s-adamantan-1-yl ethanol,2-adamantan-1-ylethanol |
| IUPAC Name | 2-(1-adamantyl)ethanol |
| InChI Key | ZBIDZPHRNBZTLT-UHFFFAOYSA-N |
| Molecular Formula | C12H20O |
trans-2-Dodecenal 90.0+%, TCI America™
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CAS: 20407-84-5 Molecular Formula: C12H22O Molecular Weight (g/mol): 182.307 MDL Number: MFCD00014674 InChI Key: SSNZFFBDIMUILS-ZHACJKMWSA-N PubChem CID: 5283361 IUPAC Name: (E)-dodec-2-enal SMILES: CCCCCCCCCC=CC=O
| PubChem CID | 5283361 |
|---|---|
| CAS | 20407-84-5 |
| Molecular Weight (g/mol) | 182.307 |
| MDL Number | MFCD00014674 |
| SMILES | CCCCCCCCCC=CC=O |
| IUPAC Name | (E)-dodec-2-enal |
| InChI Key | SSNZFFBDIMUILS-ZHACJKMWSA-N |
| Molecular Formula | C12H22O |
Monocaprylin 98.0+%, TCI America™
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CAS: 26402-26-6 Molecular Formula: C11H22O4 Molecular Weight (g/mol): 218.293 MDL Number: MFCD00056652 InChI Key: GHBFNMLVSPCDGN-UHFFFAOYSA-N Synonym: Glycerol alpha-Monooctanoate, 1-Monooctanoyl Glycerol PubChem CID: 3033877 ChEBI: CHEBI:85241 IUPAC Name: 2,3-dihydroxypropyl octanoate SMILES: CCCCCCCC(=O)OCC(CO)O
| PubChem CID | 3033877 |
|---|---|
| CAS | 26402-26-6 |
| Molecular Weight (g/mol) | 218.293 |
| ChEBI | CHEBI:85241 |
| MDL Number | MFCD00056652 |
| SMILES | CCCCCCCC(=O)OCC(CO)O |
| Synonym | Glycerol alpha-Monooctanoate, 1-Monooctanoyl Glycerol |
| IUPAC Name | 2,3-dihydroxypropyl octanoate |
| InChI Key | GHBFNMLVSPCDGN-UHFFFAOYSA-N |
| Molecular Formula | C11H22O4 |
6-Methyl-2-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 1122-72-1 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006291 InChI Key: AHISYUZBWDSPQL-UHFFFAOYSA-N Synonym: 6-methyl-2-pyridinecarboxaldehyde,6-methylpicolinaldehyde,2-formyl-6-methylpyridine,6-methylpyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 6-methyl,6-methylpyridine-2-aldehyde,2-formyl-6-picoline,6-methyl-2-pyridinecarbaldehyde,6-methyl-2-picolinaldehyde,6-methylpyridyl-2-aldehyde PubChem CID: 70737 IUPAC Name: 6-methylpyridine-2-carbaldehyde SMILES: CC1=CC=CC(=N1)C=O
| PubChem CID | 70737 |
|---|---|
| CAS | 1122-72-1 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006291 |
| SMILES | CC1=CC=CC(=N1)C=O |
| Synonym | 6-methyl-2-pyridinecarboxaldehyde,6-methylpicolinaldehyde,2-formyl-6-methylpyridine,6-methylpyridine-2-carboxaldehyde,2-pyridinecarboxaldehyde, 6-methyl,6-methylpyridine-2-aldehyde,2-formyl-6-picoline,6-methyl-2-pyridinecarbaldehyde,6-methyl-2-picolinaldehyde,6-methylpyridyl-2-aldehyde |
| IUPAC Name | 6-methylpyridine-2-carbaldehyde |
| InChI Key | AHISYUZBWDSPQL-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
3-Mercapto-1-hexanol 98.0+%, TCI America™
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CAS: 51755-83-0 Molecular Formula: C6H14OS Molecular Weight (g/mol): 134.237 MDL Number: MFCD00792515 InChI Key: TYZFMFVWHZKYSE-UHFFFAOYSA-N Synonym: 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol PubChem CID: 521348 ChEBI: CHEBI:77690 IUPAC Name: 3-sulfanylhexan-1-ol SMILES: CCCC(CCO)S
| PubChem CID | 521348 |
|---|---|
| CAS | 51755-83-0 |
| Molecular Weight (g/mol) | 134.237 |
| ChEBI | CHEBI:77690 |
| MDL Number | MFCD00792515 |
| SMILES | CCCC(CCO)S |
| Synonym | 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol |
| IUPAC Name | 3-sulfanylhexan-1-ol |
| InChI Key | TYZFMFVWHZKYSE-UHFFFAOYSA-N |
| Molecular Formula | C6H14OS |
3,4-Dibenzyloxybenzaldehyde 98.0+%, TCI America™
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CAS: 5447-02-9 Molecular Formula: C21H18O3 Molecular Weight (g/mol): 318.37 MDL Number: MFCD00004776 InChI Key: XDDLXZHBWVFPRG-UHFFFAOYSA-N Synonym: 3,4-Bis(benzyloxy)benzaldehyde PubChem CID: 79526 IUPAC Name: 3,4-bis(phenylmethoxy)benzaldehyde SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OCC3=CC=CC=C3
| PubChem CID | 79526 |
|---|---|
| CAS | 5447-02-9 |
| Molecular Weight (g/mol) | 318.37 |
| MDL Number | MFCD00004776 |
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OCC3=CC=CC=C3 |
| Synonym | 3,4-Bis(benzyloxy)benzaldehyde |
| IUPAC Name | 3,4-bis(phenylmethoxy)benzaldehyde |
| InChI Key | XDDLXZHBWVFPRG-UHFFFAOYSA-N |
| Molecular Formula | C21H18O3 |
Tris(dibenzylideneacetone)dipalladium(0) 75.0+%, TCI America™
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CAS: 51364-51-3 Molecular Formula: C51H42O3Pd2 Molecular Weight (g/mol): 915.73 MDL Number: MFCD00013310 InChI Key: CYPYTURSJDMMMP-UHFFFAOYSA-N Synonym: tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium PubChem CID: 9811564 IUPAC Name: tris(1,5-diphenylpenta-1,4-dien-3-one) dipalladium SMILES: [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
| PubChem CID | 9811564 |
|---|---|
| CAS | 51364-51-3 |
| Molecular Weight (g/mol) | 915.73 |
| MDL Number | MFCD00013310 |
| SMILES | [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1 |
| Synonym | tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium |
| IUPAC Name | tris(1,5-diphenylpenta-1,4-dien-3-one) dipalladium |
| InChI Key | CYPYTURSJDMMMP-UHFFFAOYSA-N |
| Molecular Formula | C51H42O3Pd2 |
4-(Difluoromethoxy)benzaldehyde 98.0+%, TCI America™
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CAS: 73960-07-3 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00042252 InChI Key: ZWCXOJYJJINQGU-UHFFFAOYSA-N Synonym: 4-difluoromethoxy benzaldehyde,4-difluoromethoxy-benzaldehyde,p-difluoromethoxy benzaldehyde,p-difluoromethoxybenzaldehyde,benzaldehyde, 4-difluoromethoxy,1-difluoromethoxy-4-formylbenzene,pubchem7137,acmc-1bb9r,akos bb62 PubChem CID: 2736986 IUPAC Name: 4-(difluoromethoxy)benzaldehyde SMILES: C1=CC(=CC=C1C=O)OC(F)F
| PubChem CID | 2736986 |
|---|---|
| CAS | 73960-07-3 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00042252 |
| SMILES | C1=CC(=CC=C1C=O)OC(F)F |
| Synonym | 4-difluoromethoxy benzaldehyde,4-difluoromethoxy-benzaldehyde,p-difluoromethoxy benzaldehyde,p-difluoromethoxybenzaldehyde,benzaldehyde, 4-difluoromethoxy,1-difluoromethoxy-4-formylbenzene,pubchem7137,acmc-1bb9r,akos bb62 |
| IUPAC Name | 4-(difluoromethoxy)benzaldehyde |
| InChI Key | ZWCXOJYJJINQGU-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
2,3-Pentanedione 97.0+%, TCI America™
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CAS: 600-14-6 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009313 InChI Key: TZMFJUDUGYTVRY-UHFFFAOYSA-N Synonym: 2,3-pentanedione,acetylpropionyl,acetyl propionyl,2,3-pentadione,acetylpropionyl van,unii-k4wbe45scm,acetyl propionyl natural,2,3-pentane-dione,pentan-2,3-dione,ethyl methyl diketone PubChem CID: 11747 ChEBI: CHEBI:52774 IUPAC Name: pentane-2,3-dione SMILES: CCC(=O)C(C)=O
| PubChem CID | 11747 |
|---|---|
| CAS | 600-14-6 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:52774 |
| MDL Number | MFCD00009313 |
| SMILES | CCC(=O)C(C)=O |
| Synonym | 2,3-pentanedione,acetylpropionyl,acetyl propionyl,2,3-pentadione,acetylpropionyl van,unii-k4wbe45scm,acetyl propionyl natural,2,3-pentane-dione,pentan-2,3-dione,ethyl methyl diketone |
| IUPAC Name | pentane-2,3-dione |
| InChI Key | TZMFJUDUGYTVRY-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
2-Bromonicotinaldehyde 98.0+%, TCI America™
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CAS: 128071-75-0 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.008 InChI Key: GNFWMEFWZWXLIN-UHFFFAOYSA-N Synonym: 2-bromonicotinaldehyde,2-bromo-3-formylpyridine,2-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-bromo,pubchem5057,acmc-1bypv,2-bromo-3-formyl pyridine,bromo-3-pyridine carbaldehyde,bromo-3-pyridinecarboxaldehyde PubChem CID: 4714951 IUPAC Name: 2-bromopyridine-3-carbaldehyde SMILES: C1=CC(=C(N=C1)Br)C=O
| PubChem CID | 4714951 |
|---|---|
| CAS | 128071-75-0 |
| Molecular Weight (g/mol) | 186.008 |
| SMILES | C1=CC(=C(N=C1)Br)C=O |
| Synonym | 2-bromonicotinaldehyde,2-bromo-3-formylpyridine,2-bromo-3-pyridinecarboxaldehyde,2-bromopyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-bromo,pubchem5057,acmc-1bypv,2-bromo-3-formyl pyridine,bromo-3-pyridine carbaldehyde,bromo-3-pyridinecarboxaldehyde |
| IUPAC Name | 2-bromopyridine-3-carbaldehyde |
| InChI Key | GNFWMEFWZWXLIN-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO |
Shikimic Acid 97.0+%, TCI America™
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CAS: 138-59-0 Molecular Formula: C7H9O5- Molecular Weight (g/mol): 173.144 MDL Number: MFCD00066278 InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonym: shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid PubChem CID: 7057976 ChEBI: CHEBI:36208 IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O
| PubChem CID | 7057976 |
|---|---|
| CAS | 138-59-0 |
| Molecular Weight (g/mol) | 173.144 |
| ChEBI | CHEBI:36208 |
| MDL Number | MFCD00066278 |
| SMILES | C1C(C(C(C=C1C(=O)[O-])O)O)O |
| Synonym | shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid |
| IUPAC Name | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate |
| InChI Key | JXOHGGNKMLTUBP-HSUXUTPPSA-M |
| Molecular Formula | C7H9O5- |
Chloromethyl 2,2,2-Trichloroethyl Ether 97.0+%, TCI America™
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CAS: 69573-75-7 Molecular Formula: C3H4Cl4O Molecular Weight (g/mol): 197.86 MDL Number: MFCD20257906 InChI Key: GXHPCVJGAHVTGO-UHFFFAOYSA-N PubChem CID: 11019830 IUPAC Name: 1,1,1-trichloro-2-(chloromethoxy)ethane SMILES: ClCOCC(Cl)(Cl)Cl
| PubChem CID | 11019830 |
|---|---|
| CAS | 69573-75-7 |
| Molecular Weight (g/mol) | 197.86 |
| MDL Number | MFCD20257906 |
| SMILES | ClCOCC(Cl)(Cl)Cl |
| IUPAC Name | 1,1,1-trichloro-2-(chloromethoxy)ethane |
| InChI Key | GXHPCVJGAHVTGO-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl4O |