Organooxygen compounds
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2-Fluoro-4-(trifluoromethoxy)benzaldehyde, 95%
CAS: 1227628-83-2 Molecular Formula: C8H4F4O2 Molecular Weight (g/mol): 208.112 MDL Number: MFCD16652440 InChI Key: DEACWPDDLIOZJV-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethoxy benzaldehyde PubChem CID: 53465593 IUPAC Name: 2-fluoro-4-(trifluoromethoxy)benzaldehyde SMILES: C1=CC(=C(C=C1OC(F)(F)F)F)C=O
| PubChem CID | 53465593 |
|---|---|
| CAS | 1227628-83-2 |
| Molecular Weight (g/mol) | 208.112 |
| MDL Number | MFCD16652440 |
| SMILES | C1=CC(=C(C=C1OC(F)(F)F)F)C=O |
| Synonym | 2-fluoro-4-trifluoromethoxy benzaldehyde |
| IUPAC Name | 2-fluoro-4-(trifluoromethoxy)benzaldehyde |
| InChI Key | DEACWPDDLIOZJV-UHFFFAOYSA-N |
| Molecular Formula | C8H4F4O2 |
1,3-Propanediol, 99%
CAS: 504-63-2 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 MDL Number: MFCD00002949 InChI Key: YPFDHNVEDLHUCE-UHFFFAOYSA-N Synonym: 1,3-propanediol,trimethylene glycol,1,3-dihydroxypropane,2-deoxyglycerol,1,3-propylene glycol,1,3-propylenediol,1,3-propandiol,2-hydroxymethyl ethanol,omega-propanediol,beta-propylene glycol PubChem CID: 10442 ChEBI: CHEBI:16109 IUPAC Name: propane-1,3-diol SMILES: OCCCO
| PubChem CID | 10442 |
|---|---|
| CAS | 504-63-2 |
| Molecular Weight (g/mol) | 76.10 |
| ChEBI | CHEBI:16109 |
| MDL Number | MFCD00002949 |
| SMILES | OCCCO |
| Synonym | 1,3-propanediol,trimethylene glycol,1,3-dihydroxypropane,2-deoxyglycerol,1,3-propylene glycol,1,3-propylenediol,1,3-propandiol,2-hydroxymethyl ethanol,omega-propanediol,beta-propylene glycol |
| IUPAC Name | propane-1,3-diol |
| InChI Key | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
18-Crown 6-Ether 98.0+%, TCI America™
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CAS: 17455-13-9 Molecular Formula: C12H24O6 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00005113 InChI Key: XEZNGIUYQVAUSS-UHFFFAOYSA-N Synonym: 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane PubChem CID: 28557 ChEBI: CHEBI:32397 IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadecane SMILES: C1COCCOCCOCCOCCOCCO1
| PubChem CID | 28557 |
|---|---|
| CAS | 17455-13-9 |
| Molecular Weight (g/mol) | 264.32 |
| ChEBI | CHEBI:32397 |
| MDL Number | MFCD00005113 |
| SMILES | C1COCCOCCOCCOCCOCCO1 |
| Synonym | 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane |
| IUPAC Name | 1,4,7,10,13,16-hexaoxacyclooctadecane |
| InChI Key | XEZNGIUYQVAUSS-UHFFFAOYSA-N |
| Molecular Formula | C12H24O6 |
1-Methoxy-2-propanol, 99+%
CAS: 107-98-2 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00004537 InChI Key: ARXJGSRGQADJSQ-UHFFFAOYNA-N Synonym: 1-methoxy-2-propanol,pgme,methoxyisopropanol,2-propanol, 1-methoxy,closol,dowtherm 209,propylene glycol monomethyl ether,poly-solve mpm,propasol solvent m,dowanol 33b PubChem CID: 7900 IUPAC Name: 1-methoxypropan-2-ol SMILES: COCC(C)O
| PubChem CID | 7900 |
|---|---|
| CAS | 107-98-2 |
| Molecular Weight (g/mol) | 90.12 |
| MDL Number | MFCD00004537 |
| SMILES | COCC(C)O |
| Synonym | 1-methoxy-2-propanol,pgme,methoxyisopropanol,2-propanol, 1-methoxy,closol,dowtherm 209,propylene glycol monomethyl ether,poly-solve mpm,propasol solvent m,dowanol 33b |
| IUPAC Name | 1-methoxypropan-2-ol |
| InChI Key | ARXJGSRGQADJSQ-UHFFFAOYNA-N |
| Molecular Formula | C4H10O2 |
4'-Hydroxy-3',5'-dimethoxyacetophenone, 97%
CAS: 2478-38-8 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008748 InChI Key: OJOBTAOGJIWAGB-UHFFFAOYSA-N Synonym: acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy PubChem CID: 17198 ChEBI: CHEBI:2404 IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1O)C(C)=O
| PubChem CID | 17198 |
|---|---|
| CAS | 2478-38-8 |
| Molecular Weight (g/mol) | 196.20 |
| ChEBI | CHEBI:2404 |
| MDL Number | MFCD00008748 |
| SMILES | COC1=CC(=CC(OC)=C1O)C(C)=O |
| Synonym | acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy |
| IUPAC Name | 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone |
| InChI Key | OJOBTAOGJIWAGB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
o-Vanillin 99.0+%, TCI America™
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CAS: 148-53-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003322 InChI Key: JJVNINGBHGBWJH-UHFFFAOYSA-N Synonym: 3-methoxysalicylaldehyde,o-vanillin,6-formylguaiacol,2-vanillin,o-vanilline,benzaldehyde, 2-hydroxy-3-methoxy,orthovanilline,2-hydroxy-m-anisaldehyde,6-formyl-2-methoxyphenol,3-methoxy-2-hydroxybenzaldehyde PubChem CID: 8991 ChEBI: CHEBI:78339 IUPAC Name: 2-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC=CC(C=O)=C1O
| PubChem CID | 8991 |
|---|---|
| CAS | 148-53-8 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:78339 |
| MDL Number | MFCD00003322 |
| SMILES | COC1=CC=CC(C=O)=C1O |
| Synonym | 3-methoxysalicylaldehyde,o-vanillin,6-formylguaiacol,2-vanillin,o-vanilline,benzaldehyde, 2-hydroxy-3-methoxy,orthovanilline,2-hydroxy-m-anisaldehyde,6-formyl-2-methoxyphenol,3-methoxy-2-hydroxybenzaldehyde |
| IUPAC Name | 2-hydroxy-3-methoxybenzaldehyde |
| InChI Key | JJVNINGBHGBWJH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Glutaraldehyde, 50% aq. soln.
CAS: 111-30-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00007025 InChI Key: SXRSQZLOMIGNAQ-UHFFFAOYSA-N Synonym: glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde PubChem CID: 3485 ChEBI: CHEBI:64276 IUPAC Name: pentanedial SMILES: O=CCCCC=O
| PubChem CID | 3485 |
|---|---|
| CAS | 111-30-8 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:64276 |
| MDL Number | MFCD00007025 |
| SMILES | O=CCCCC=O |
| Synonym | glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde |
| IUPAC Name | pentanedial |
| InChI Key | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
n-Butyrophenone, 99%
CAS: 495-40-9 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 InChI Key: FFSAXUULYPJSKH-UHFFFAOYSA-N Synonym: butyrophenone,n-butyrophenone,1-butanone, 1-phenyl,phenyl propyl ketone,1-phenyl-1-butanone,propyl phenyl ketone,unii-186i11wb5b,1-phenyl-butan-1-one,propylphenylketone PubChem CID: 10315 IUPAC Name: 1-phenylbutan-1-one SMILES: CCCC(=O)C1=CC=CC=C1
| PubChem CID | 10315 |
|---|---|
| CAS | 495-40-9 |
| Molecular Weight (g/mol) | 148.2 |
| SMILES | CCCC(=O)C1=CC=CC=C1 |
| Synonym | butyrophenone,n-butyrophenone,1-butanone, 1-phenyl,phenyl propyl ketone,1-phenyl-1-butanone,propyl phenyl ketone,unii-186i11wb5b,1-phenyl-butan-1-one,propylphenylketone |
| IUPAC Name | 1-phenylbutan-1-one |
| InChI Key | FFSAXUULYPJSKH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
2-Acetylbenzo[b]furan, 99%
CAS: 1646-26-0 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00005849 InChI Key: YUTFQTAITWWGFH-UHFFFAOYSA-N Synonym: 2-acetylbenzofuran,1-benzofuran-2-yl ethanone,ethanone, 1-2-benzofuranyl,benzofuran-2-yl methyl ketone,2-acetylcoumarone,2-acetylcumarone,2-benzofuranyl methyl ketone,benzo b furan-2-yl methyl ketone,1-2-benzofuranyl ethanone,2-acetylbenzo b furan PubChem CID: 15435 SMILES: CC(=O)C1=CC2=CC=CC=C2O1
| PubChem CID | 15435 |
|---|---|
| CAS | 1646-26-0 |
| Molecular Weight (g/mol) | 160.17 |
| MDL Number | MFCD00005849 |
| SMILES | CC(=O)C1=CC2=CC=CC=C2O1 |
| Synonym | 2-acetylbenzofuran,1-benzofuran-2-yl ethanone,ethanone, 1-2-benzofuranyl,benzofuran-2-yl methyl ketone,2-acetylcoumarone,2-acetylcumarone,2-benzofuranyl methyl ketone,benzo b furan-2-yl methyl ketone,1-2-benzofuranyl ethanone,2-acetylbenzo b furan |
| InChI Key | YUTFQTAITWWGFH-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
2',3',4'-Trihydroxyacetophenone, 98%
CAS: 528-21-2 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00002193 InChI Key: XIROXSOOOAZHLL-UHFFFAOYSA-N Synonym: gallacetophenone,1-2,3,4-trihydroxyphenyl ethanone,2',3',4'-trihydroxyacetophenone,galloacetophenone,alizarin yellow c,alizarine yellow c,2,3,4-trihydroxyacetophenone,ethanone, 1-2,3,4-trihydroxyphenyl,4-acetylpyrogallol,acetophenone, 2',3',4'-trihydroxy PubChem CID: 10706 IUPAC Name: 1-(2,3,4-trihydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)O)O)O
| PubChem CID | 10706 |
|---|---|
| CAS | 528-21-2 |
| Molecular Weight (g/mol) | 168.148 |
| MDL Number | MFCD00002193 |
| SMILES | CC(=O)C1=C(C(=C(C=C1)O)O)O |
| Synonym | gallacetophenone,1-2,3,4-trihydroxyphenyl ethanone,2',3',4'-trihydroxyacetophenone,galloacetophenone,alizarin yellow c,alizarine yellow c,2,3,4-trihydroxyacetophenone,ethanone, 1-2,3,4-trihydroxyphenyl,4-acetylpyrogallol,acetophenone, 2',3',4'-trihydroxy |
| IUPAC Name | 1-(2,3,4-trihydroxyphenyl)ethanone |
| InChI Key | XIROXSOOOAZHLL-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
(+/-)-1,3-Butanediol, 99%
CAS: 107-88-0 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.122 MDL Number: MFCD00004554 InChI Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N Synonym: 1,3-butanediol,1,3-butylene glycol,1,3-dihydroxybutane,methyltrimethylene glycol,1,3-butandiol,1-methyl-1,3-propanediol,beta-butylene glycol,1,3 butylene glycol,1,3-butylenglykol,rs-1,3-butandiol PubChem CID: 7896 ChEBI: CHEBI:52683 IUPAC Name: butane-1,3-diol SMILES: CC(CCO)O
| PubChem CID | 7896 |
|---|---|
| CAS | 107-88-0 |
| Molecular Weight (g/mol) | 90.122 |
| ChEBI | CHEBI:52683 |
| MDL Number | MFCD00004554 |
| SMILES | CC(CCO)O |
| Synonym | 1,3-butanediol,1,3-butylene glycol,1,3-dihydroxybutane,methyltrimethylene glycol,1,3-butandiol,1-methyl-1,3-propanediol,beta-butylene glycol,1,3 butylene glycol,1,3-butylenglykol,rs-1,3-butandiol |
| IUPAC Name | butane-1,3-diol |
| InChI Key | PUPZLCDOIYMWBV-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
Pentaethylene glycol, 98%
CAS: 4792-15-8 Molecular Formula: C10H22O6 Molecular Weight (g/mol): 238.28 MDL Number: MFCD00002878 InChI Key: JLFNLZLINWHATN-UHFFFAOYSA-N Synonym: pentaethylene glycol,3,6,9,12-tetraoxatetradecane-1,14-diol,pentaethyleneglycol,pentaglycol,ho ch2ch2o 5h,3,6,9,12-tetraoxatetradocane-1,14-diol,2-2-2-2-2-hydroxyethoxy ethoxy ethoxy ethoxy ethanol,dsstox_cid_7579,dsstox_rid_78510,dsstox_gsid_27579 PubChem CID: 62551 ChEBI: CHEBI:39631 IUPAC Name: 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCOCCO)O
| PubChem CID | 62551 |
|---|---|
| CAS | 4792-15-8 |
| Molecular Weight (g/mol) | 238.28 |
| ChEBI | CHEBI:39631 |
| MDL Number | MFCD00002878 |
| SMILES | C(COCCOCCOCCOCCO)O |
| Synonym | pentaethylene glycol,3,6,9,12-tetraoxatetradecane-1,14-diol,pentaethyleneglycol,pentaglycol,ho ch2ch2o 5h,3,6,9,12-tetraoxatetradocane-1,14-diol,2-2-2-2-2-hydroxyethoxy ethoxy ethoxy ethoxy ethanol,dsstox_cid_7579,dsstox_rid_78510,dsstox_gsid_27579 |
| IUPAC Name | 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol |
| InChI Key | JLFNLZLINWHATN-UHFFFAOYSA-N |
| Molecular Formula | C10H22O6 |
Tetraethylene glycol dimethyl ether, 99%
CAS: 143-24-8 Molecular Formula: C10H22O5 Molecular Weight (g/mol): 222.28 MDL Number: MFCD00008505 InChI Key: ZUHZGEOKBKGPSW-UHFFFAOYSA-N Synonym: tetraglyme,tetraethylene glycol dimethyl ether,2,5,8,11,14-pentaoxapentadecane,dimethoxytetraglycol,glyme 5,ansul ether 181at,dimethoxytetraethylene glycol,nissan uniox mm 200,bis 2-2-methoxyethoxy ethyl ether,methyltetraglyme200 PubChem CID: 8925 ChEBI: CHEBI:46785 IUPAC Name: 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane SMILES: COCCOCCOCCOCCOC
| PubChem CID | 8925 |
|---|---|
| CAS | 143-24-8 |
| Molecular Weight (g/mol) | 222.28 |
| ChEBI | CHEBI:46785 |
| MDL Number | MFCD00008505 |
| SMILES | COCCOCCOCCOCCOC |
| Synonym | tetraglyme,tetraethylene glycol dimethyl ether,2,5,8,11,14-pentaoxapentadecane,dimethoxytetraglycol,glyme 5,ansul ether 181at,dimethoxytetraethylene glycol,nissan uniox mm 200,bis 2-2-methoxyethoxy ethyl ether,methyltetraglyme200 |
| IUPAC Name | 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane |
| InChI Key | ZUHZGEOKBKGPSW-UHFFFAOYSA-N |
| Molecular Formula | C10H22O5 |
Hexanal, 98%
CAS: 66-25-1 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00007027 InChI Key: JARKCYVAAOWBJS-UHFFFAOYSA-N Synonym: caproaldehyde,hexaldehyde,caproic aldehyde,capronaldehyde,1-hexanal,n-hexanal,hexanaldehyde,n-caproaldehyde,hexylaldehyde,aldehyde c-6 PubChem CID: 6184 IUPAC Name: hexanal SMILES: CCCCCC=O
| PubChem CID | 6184 |
|---|---|
| CAS | 66-25-1 |
| Molecular Weight (g/mol) | 100.161 |
| MDL Number | MFCD00007027 |
| SMILES | CCCCCC=O |
| Synonym | caproaldehyde,hexaldehyde,caproic aldehyde,capronaldehyde,1-hexanal,n-hexanal,hexanaldehyde,n-caproaldehyde,hexylaldehyde,aldehyde c-6 |
| IUPAC Name | hexanal |
| InChI Key | JARKCYVAAOWBJS-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
L-Ascorbic acid 6-palmitate, 99%
CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N Synonym: ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf PubChem CID: 54680660 IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
| PubChem CID | 54680660 |
|---|---|
| CAS | 137-66-6 |
| Molecular Weight (g/mol) | 414.54 |
| MDL Number | MFCD00005377 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
| Synonym | ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf |
| IUPAC Name | [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate |
| InChI Key | NULLRXHRYOXSEW-UHFFFAOYNA-N |
| Molecular Formula | C22H38O7 |