Organooxygen compounds
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Diacetin, 50%, tech. grade, remainder triacetin and monoacetin
CAS: 25395-31-7 | C7H12O5 | 176.17 g/mol
| Linear Formula | (CH3COO)2C3H5OH |
|---|---|
| Molecular Weight (g/mol) | 176.17 |
| Density | 1.1875g/mL |
| Name Note | pract., 98% |
| Percent Purity | 50% |
| Infrared Spectrum | Authentic |
| RTECS Number | AK3325000 |
| Formula Weight | 176.17 |
| Saponification Value | 542 to 605mg KOH/g |
| Boiling Point | 280.0°C |
| Color | Colorless |
| Physical Form | Liquid |
| Chemical Name or Material | Diacetin |
| Merck Index | 15, 2964 |
| Assay Percent Range | 45% min. (GC) |
| Concentration or Composition (by Analyte or Components) | 24 to 28% monoacetin, 41 to 47% diacetin, 22 to 28% triacetin (typically) |
| CAS | 26446-35-5 |
| MDL Number | MFCD00008717 |
| Solubility Information | Solubility in water: soluble |
| Packaging | Glass bottle |
| Flash Point | 141°C |
| Health Hazard 1 | HYGROSCOPIC |
| Refractive Index | 1.4400 to 1.4500 |
| TSCA | TSCA |
| Molecular Formula | C7H12O5 |
| EINECS Number | 246-941-2 |
| Specific Gravity | 1.1875 |
Boron Trifluoride - Ethyl Ether Complex 98.0+%, TCI America™
CAS: 109-63-7 Molecular Formula: C4H10BF3O Molecular Weight (g/mol): 141.93 MDL Number: MFCD00013194 InChI Key: KZMGYPLQYOPHEL-UHFFFAOYSA-N PubChem CID: 8000 IUPAC Name: ethoxyethane; trifluoroborane SMILES: FB(F)F.CCOCC
| PubChem CID | 8000 |
|---|---|
| CAS | 109-63-7 |
| Molecular Weight (g/mol) | 141.93 |
| MDL Number | MFCD00013194 |
| SMILES | FB(F)F.CCOCC |
| IUPAC Name | ethoxyethane; trifluoroborane |
| InChI Key | KZMGYPLQYOPHEL-UHFFFAOYSA-N |
| Molecular Formula | C4H10BF3O |
Acetaldehyde diethyl acetal, 99%
CAS: 105-57-7 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00009243 InChI Key: DHKHKXVYLBGOIT-UHFFFAOYSA-N Synonym: acetal,acetaldehyde diethyl acetal,diethyl acetal,ethane, 1,1-diethoxy,diaethylacetal,acetale,ethylidene diethyl ether,acetal diethylique,diethylacetal,1,1-dietossietano PubChem CID: 7765 IUPAC Name: 1,1-diethoxyethane SMILES: CCOC(C)OCC
| PubChem CID | 7765 |
|---|---|
| CAS | 105-57-7 |
| Molecular Weight (g/mol) | 118.18 |
| MDL Number | MFCD00009243 |
| SMILES | CCOC(C)OCC |
| Synonym | acetal,acetaldehyde diethyl acetal,diethyl acetal,ethane, 1,1-diethoxy,diaethylacetal,acetale,ethylidene diethyl ether,acetal diethylique,diethylacetal,1,1-dietossietano |
| IUPAC Name | 1,1-diethoxyethane |
| InChI Key | DHKHKXVYLBGOIT-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
L(+)-Ascorbyl palmitate, specified according to requirements of USP/Ph.Eur., Thermo Scientific Chemicals
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 |
3-Ethoxy-4-hydroxybenzaldehyde, 98%
CAS: 121-32-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00006944 InChI Key: CBOQJANXLMLOSS-UHFFFAOYSA-N Synonym: ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal PubChem CID: 8467 ChEBI: CHEBI:48408 IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde SMILES: CCOC1=CC(C=O)=CC=C1O
| PubChem CID | 8467 |
|---|---|
| CAS | 121-32-4 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:48408 |
| MDL Number | MFCD00006944 |
| SMILES | CCOC1=CC(C=O)=CC=C1O |
| Synonym | ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal |
| IUPAC Name | 3-ethoxy-4-hydroxybenzaldehyde |
| InChI Key | CBOQJANXLMLOSS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
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 |
Ethyl 3-ethoxypropionate, 99+%, pure, stabilized
CAS: 763-69-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00051356 InChI Key: BHXIWUJLHYHGSJ-UHFFFAOYSA-N Synonym: ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove PubChem CID: 12989 IUPAC Name: ethyl 3-ethoxypropanoate SMILES: CCOCCC(=O)OCC
| PubChem CID | 12989 |
|---|---|
| CAS | 763-69-9 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00051356 |
| SMILES | CCOCCC(=O)OCC |
| Synonym | ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove |
| IUPAC Name | ethyl 3-ethoxypropanoate |
| InChI Key | BHXIWUJLHYHGSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O3 |
Chlorogenic acid
CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
| PubChem CID | 1794427 |
|---|---|
| CAS | 327-97-9 |
| Molecular Weight (g/mol) | 354.31 |
| ChEBI | CHEBI:16112 |
| MDL Number | MFCD00003862 |
| SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O |
| Synonym | chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Molecular Formula | C16H18O9 |
3-Methoxy-3-methyl-1-butanol, 98+%
CAS: 56539-66-3 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00044771 InChI Key: MFKRHJVUCZRDTF-UHFFFAOYSA-N Synonym: 3-methoxy-3-methyl-1-butanol,3-methyl-3-methoxybutanol,3-methoxy-3-methylbutanol,1-butanol, 3-methoxy-3-methyl,methoxymethylbutanol,3-methoxy-3-methyl-butan-1-ol,acmc-1bbqk,dsstox_cid_24389,dsstox_rid_80190,dsstox_gsid_44389 PubChem CID: 62118 IUPAC Name: 3-methoxy-3-methylbutan-1-ol SMILES: CC(C)(CCO)OC
| PubChem CID | 62118 |
|---|---|
| CAS | 56539-66-3 |
| Molecular Weight (g/mol) | 118.176 |
| MDL Number | MFCD00044771 |
| SMILES | CC(C)(CCO)OC |
| Synonym | 3-methoxy-3-methyl-1-butanol,3-methyl-3-methoxybutanol,3-methoxy-3-methylbutanol,1-butanol, 3-methoxy-3-methyl,methoxymethylbutanol,3-methoxy-3-methyl-butan-1-ol,acmc-1bbqk,dsstox_cid_24389,dsstox_rid_80190,dsstox_gsid_44389 |
| IUPAC Name | 3-methoxy-3-methylbutan-1-ol |
| InChI Key | MFKRHJVUCZRDTF-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
1,3-Indanedione, 97%
CAS: 606-23-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 InChI Key: UHKAJLSKXBADFT-UHFFFAOYSA-N Synonym: 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g PubChem CID: 11815 ChEBI: CHEBI:78877 IUPAC Name: indene-1,3-dione SMILES: C1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11815 |
|---|---|
| CAS | 606-23-5 |
| Molecular Weight (g/mol) | 146.15 |
| ChEBI | CHEBI:78877 |
| SMILES | C1C(=O)C2=CC=CC=C2C1=O |
| Synonym | 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g |
| IUPAC Name | indene-1,3-dione |
| InChI Key | UHKAJLSKXBADFT-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
2,3-Butanedione, 99%
CAS: 431-03-8 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008756 InChI Key: QSJXEFYPDANLFS-UHFFFAOYSA-N Synonym: 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane PubChem CID: 650 ChEBI: CHEBI:16583 IUPAC Name: butane-2,3-dione SMILES: CC(=O)C(=O)C
| PubChem CID | 650 |
|---|---|
| CAS | 431-03-8 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:16583 |
| MDL Number | MFCD00008756 |
| SMILES | CC(=O)C(=O)C |
| Synonym | 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane |
| IUPAC Name | butane-2,3-dione |
| InChI Key | QSJXEFYPDANLFS-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
2,2-Dibromo-4'-fluoroacetophenone, 98%
CAS: 7542-64-5 Molecular Formula: C8H5Br2FO Molecular Weight (g/mol): 295.933 MDL Number: MFCD03791309 InChI Key: XFFGHBAVJPOWDG-UHFFFAOYSA-N Synonym: 2,2-dibromo-1-4-fluorophenyl ethanone,alpha,alpha-dibromo-4-fluoroacetophenone,2,2-dibromo-4'-fluoroacetophenone,4'-fluoro-alpha,alpha-dibromoacetophenone,2,2-dibromo-1-4-fluorophenyl ethan-1-one,2,2-bis bromanyl-1-4-fluorophenyl ethanone PubChem CID: 2783255 IUPAC Name: 2,2-dibromo-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)C(Br)Br)F
| PubChem CID | 2783255 |
|---|---|
| CAS | 7542-64-5 |
| Molecular Weight (g/mol) | 295.933 |
| MDL Number | MFCD03791309 |
| SMILES | C1=CC(=CC=C1C(=O)C(Br)Br)F |
| Synonym | 2,2-dibromo-1-4-fluorophenyl ethanone,alpha,alpha-dibromo-4-fluoroacetophenone,2,2-dibromo-4'-fluoroacetophenone,4'-fluoro-alpha,alpha-dibromoacetophenone,2,2-dibromo-1-4-fluorophenyl ethan-1-one,2,2-bis bromanyl-1-4-fluorophenyl ethanone |
| IUPAC Name | 2,2-dibromo-1-(4-fluorophenyl)ethanone |
| InChI Key | XFFGHBAVJPOWDG-UHFFFAOYSA-N |
| Molecular Formula | C8H5Br2FO |
Oxalacetic acid, 98+%
CAS: 328-42-7 Molecular Formula: C4H4O5 Molecular Weight (g/mol): 132.071 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) | 132.071 |
| 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-Deoxy-2-fluoro-D-glucopyranose 98.0+%, TCI America™
CAS: 29702-43-0 Molecular Formula: C6H11FO5 Molecular Weight (g/mol): 182.147 MDL Number: MFCD00077527 InChI Key: AOYNUTHNTBLRMT-SLPGGIOYSA-N Synonym: 2-Deoxy-2-fluoro-D-glucose PubChem CID: 170049 ChEBI: CHEBI:49135 IUPAC Name: (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal SMILES: C(C(C(C(C(C=O)F)O)O)O)O
| PubChem CID | 170049 |
|---|---|
| CAS | 29702-43-0 |
| Molecular Weight (g/mol) | 182.147 |
| ChEBI | CHEBI:49135 |
| MDL Number | MFCD00077527 |
| SMILES | C(C(C(C(C(C=O)F)O)O)O)O |
| Synonym | 2-Deoxy-2-fluoro-D-glucose |
| IUPAC Name | (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal |
| InChI Key | AOYNUTHNTBLRMT-SLPGGIOYSA-N |
| Molecular Formula | C6H11FO5 |
Octanal, 98%
CAS: 124-13-0 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00007029 InChI Key: NUJGJRNETVAIRJ-UHFFFAOYSA-N Synonym: caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal PubChem CID: 454 ChEBI: CHEBI:17935 IUPAC Name: octanal SMILES: CCCCCCCC=O
| PubChem CID | 454 |
|---|---|
| CAS | 124-13-0 |
| Molecular Weight (g/mol) | 128.22 |
| ChEBI | CHEBI:17935 |
| MDL Number | MFCD00007029 |
| SMILES | CCCCCCCC=O |
| Synonym | caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal |
| IUPAC Name | octanal |
| InChI Key | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |