Organooxygen compounds
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Benzyl acetoacetate, 97%
CAS: 5396-89-4 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00008785 InChI Key: WOFAGNLBCJWEOE-UHFFFAOYSA-N Synonym: benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 142266 |
|---|---|
| CAS | 5396-89-4 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00008785 |
| SMILES | CC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x |
| IUPAC Name | benzyl 3-oxobutanoate |
| InChI Key | WOFAGNLBCJWEOE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
Dimethyl malonate, 98+%
CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC
| PubChem CID | 7943 |
|---|---|
| CAS | 108-59-8 |
| Molecular Weight (g/mol) | 132.115 |
| MDL Number | MFCD00008460 |
| SMILES | COC(=O)CC(=O)OC |
| Synonym | dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester |
| IUPAC Name | dimethyl propanedioate |
| InChI Key | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
Pyrogallol, 99%
CAS: 87-66-1 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00002192 InChI Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N Synonym: pyrogallol,1,2,3-trihydroxybenzene,pyrogallic acid,1,2,3-benzenetriol,fouramine brown ap,fourrine pg,fourrine 85,pyro,c.i. oxidation base 32,piral PubChem CID: 1057 ChEBI: CHEBI:16164 IUPAC Name: benzene-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O
| PubChem CID | 1057 |
|---|---|
| CAS | 87-66-1 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:16164 |
| MDL Number | MFCD00002192 |
| SMILES | OC1=CC=CC(O)=C1O |
| Synonym | pyrogallol,1,2,3-trihydroxybenzene,pyrogallic acid,1,2,3-benzenetriol,fouramine brown ap,fourrine pg,fourrine 85,pyro,c.i. oxidation base 32,piral |
| IUPAC Name | benzene-1,2,3-triol |
| InChI Key | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
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 |
Dexpanthenol, USP, 98-102%, Spectrum™ Chemical
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CAS: 81-13-0 Molecular Formula: C9H19NO4 Molecular Weight (g/mol): 205.25 MDL Number: MFCD00065006 InChI Key: SNPLKNRPJHDVJA-ZETCQYMHSA-N IUPAC Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCCO
| CAS | 81-13-0 |
|---|---|
| Molecular Weight (g/mol) | 205.25 |
| MDL Number | MFCD00065006 |
| SMILES | CC(C)(CO)[C@@H](O)C(=O)NCCCO |
| IUPAC Name | (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
| InChI Key | SNPLKNRPJHDVJA-ZETCQYMHSA-N |
| Molecular Formula | C9H19NO4 |
Oleyl alcohol, tech. 80-85%, Thermo Scientific Chemicals
CAS: 143-28-2 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.49 MDL Number: MFCD00002993 InChI Key: ALSTYHKOOCGGFT-KTKRTIGZSA-N Synonym: oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol PubChem CID: 5284499 ChEBI: CHEBI:73504 IUPAC Name: (9Z)-octadec-9-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCO
| PubChem CID | 5284499 |
|---|---|
| CAS | 143-28-2 |
| Molecular Weight (g/mol) | 268.49 |
| ChEBI | CHEBI:73504 |
| MDL Number | MFCD00002993 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCO |
| Synonym | oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol |
| IUPAC Name | (9Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
1-Ethylcyclopentanol, 96%, Thermo Scientific Chemicals
CAS: 1462-96-0 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00019281 InChI Key: LPCWIFPJLFCXRS-UHFFFAOYSA-N Synonym: 1-ethylcyclopentanol,cyclopentanol, 1-ethyl,1-ethyl-1-cyclopentanol,acmc-1bzot,ksc181q7f,1-ethyl-1-hydroxycyclopentane PubChem CID: 137018 IUPAC Name: 1-ethylcyclopentan-1-ol SMILES: CCC1(CCCC1)O
| PubChem CID | 137018 |
|---|---|
| CAS | 1462-96-0 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00019281 |
| SMILES | CCC1(CCCC1)O |
| Synonym | 1-ethylcyclopentanol,cyclopentanol, 1-ethyl,1-ethyl-1-cyclopentanol,acmc-1bzot,ksc181q7f,1-ethyl-1-hydroxycyclopentane |
| IUPAC Name | 1-ethylcyclopentan-1-ol |
| InChI Key | LPCWIFPJLFCXRS-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
| CAS | 6290-03-5 |
|---|---|
| ChEBI | CHEBI:52687 |
| MDL Number | MFCD00064277 |
tert-Butyl alcohol, 99%
CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00004464 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N Synonym: tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol PubChem CID: 6386 ChEBI: CHEBI:45895 IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O
| PubChem CID | 6386 |
|---|---|
| CAS | 75-65-0 |
| Molecular Weight (g/mol) | 74.123 |
| ChEBI | CHEBI:45895 |
| MDL Number | MFCD00004464 |
| SMILES | CC(C)(C)O |
| Synonym | tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol |
| IUPAC Name | 2-methylpropan-2-ol |
| InChI Key | DKGAVHZHDRPRBM-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
2-Butyne-1,4-diol, 98+%
CAS: 110-65-6 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002915 InChI Key: DLDJFQGPPSQZKI-UHFFFAOYSA-N Synonym: 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van PubChem CID: 8066 ChEBI: CHEBI:16413 IUPAC Name: but-2-yne-1,4-diol SMILES: C(C#CCO)O
| PubChem CID | 8066 |
|---|---|
| CAS | 110-65-6 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:16413 |
| MDL Number | MFCD00002915 |
| SMILES | C(C#CCO)O |
| Synonym | 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van |
| IUPAC Name | but-2-yne-1,4-diol |
| InChI Key | DLDJFQGPPSQZKI-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
3-Phenyl-1-propanol, 98%
CAS: 122-97-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00002950 InChI Key: VAJVDSVGBWFCLW-UHFFFAOYSA-N Synonym: 3-phenyl-1-propanol,benzenepropanol,hydrocinnamyl alcohol,3-phenylpropyl alcohol,3-phenylpropanol,3-benzenepropanol,phenylpropyl alcohol,hydrocinnamic alcohol,3-phenyl-n-propanol,3-hydroxypropyl benzene PubChem CID: 31234 IUPAC Name: 3-phenylpropan-1-ol SMILES: C1=CC=C(C=C1)CCCO
| PubChem CID | 31234 |
|---|---|
| CAS | 122-97-4 |
| Molecular Weight (g/mol) | 136.19 |
| MDL Number | MFCD00002950 |
| SMILES | C1=CC=C(C=C1)CCCO |
| Synonym | 3-phenyl-1-propanol,benzenepropanol,hydrocinnamyl alcohol,3-phenylpropyl alcohol,3-phenylpropanol,3-benzenepropanol,phenylpropyl alcohol,hydrocinnamic alcohol,3-phenyl-n-propanol,3-hydroxypropyl benzene |
| IUPAC Name | 3-phenylpropan-1-ol |
| InChI Key | VAJVDSVGBWFCLW-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
2,6-Pyridinedimethanol, 98%
CAS: 1195-59-1 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.15 MDL Number: MFCD00006351 InChI Key: WWFMINHWJYHXHF-UHFFFAOYSA-N Synonym: 2,6-pyridinedimethanol,pyridine-2,6-diyldimethanol,2,6-bis hydroxymethyl pyridine,6-hydroxymethyl pyridin-2-yl methanol,pyridine-2,6-dimethanol,2,6-dihydroxymethylpyridine,2,6-bis-hydroxymethyl pyridine,2,6-bis-hydroxymethyl-pyridine,2,6-pyridinyl dimethanol,6-hydroxymethyl-2-pyridyl methan-1-ol PubChem CID: 70957 IUPAC Name: [6-(hydroxymethyl)pyridin-2-yl]methanol SMILES: C1=CC(=NC(=C1)CO)CO
| PubChem CID | 70957 |
|---|---|
| CAS | 1195-59-1 |
| Molecular Weight (g/mol) | 139.15 |
| MDL Number | MFCD00006351 |
| SMILES | C1=CC(=NC(=C1)CO)CO |
| Synonym | 2,6-pyridinedimethanol,pyridine-2,6-diyldimethanol,2,6-bis hydroxymethyl pyridine,6-hydroxymethyl pyridin-2-yl methanol,pyridine-2,6-dimethanol,2,6-dihydroxymethylpyridine,2,6-bis-hydroxymethyl pyridine,2,6-bis-hydroxymethyl-pyridine,2,6-pyridinyl dimethanol,6-hydroxymethyl-2-pyridyl methan-1-ol |
| IUPAC Name | [6-(hydroxymethyl)pyridin-2-yl]methanol |
| InChI Key | WWFMINHWJYHXHF-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2 |
1,2-Propanediol, 99+%, for analysis
CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.09 MDL Number: MFCD00064272 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O
| PubChem CID | 1030 |
|---|---|
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.09 |
| ChEBI | CHEBI:16997 |
| MDL Number | MFCD00064272 |
| SMILES | CC(CO)O |
| Synonym | 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
Nerolidol, cis + trans, 97+%
CAS: 7212-44-4 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.37 MDL Number: MFCD00008911,MFCD00008911,MFCD00008911,MFCD00085350 InChI Key: FQTLCLSUCSAZDY-SDNWHVSQNA-N Synonym: 3r,6e-nerolidol,unii-uoc0644v25,3r-6e-nerolidol,nerolidol,3r,6e-3,7,11-trimethyldodeca-1,6,10-trien-3-ol,e-nerolidol,1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, 3r,6e,nerolidol, 6e--,--nerolidol,?-nerolidol PubChem CID: 11241545 ChEBI: CHEBI:59959 SMILES: CC(C)=CCC\C(C)=C\CCC(C)(O)C=C
| PubChem CID | 11241545 |
|---|---|
| CAS | 7212-44-4 |
| Molecular Weight (g/mol) | 222.37 |
| ChEBI | CHEBI:59959 |
| MDL Number | MFCD00008911,MFCD00008911,MFCD00008911,MFCD00085350 |
| SMILES | CC(C)=CCC\C(C)=C\CCC(C)(O)C=C |
| Synonym | 3r,6e-nerolidol,unii-uoc0644v25,3r-6e-nerolidol,nerolidol,3r,6e-3,7,11-trimethyldodeca-1,6,10-trien-3-ol,e-nerolidol,1,6,10-dodecatrien-3-ol, 3,7,11-trimethyl-, 3r,6e,nerolidol, 6e--,--nerolidol,?-nerolidol |
| InChI Key | FQTLCLSUCSAZDY-SDNWHVSQNA-N |
| Molecular Formula | C15H26O |
Tetraethylene glycol, 99.5%
CAS: 112-60-7 Molecular Formula: C8H18O5 Molecular Weight (g/mol): 194.23 InChI Key: UWHCKJMYHZGTIT-UHFFFAOYSA-N Synonym: tetraethylene glycol,tetraglycol,2,2'-oxybis ethane-2,1-diyl bis oxy diethanol,hi-dry,carbitol, diethyl,3,6,9-trioxaundecane-1,11-diol,bis 2-2-hydroxyethoxy ethyl ether,ethanol, 2,2'-oxybis 2,1-ethanediyloxy bis,tetra ethylene glycol,hsdb 843 PubChem CID: 8200 ChEBI: CHEBI:44920 IUPAC Name: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCO)O
| PubChem CID | 8200 |
|---|---|
| CAS | 112-60-7 |
| Molecular Weight (g/mol) | 194.23 |
| ChEBI | CHEBI:44920 |
| SMILES | C(COCCOCCOCCO)O |
| Synonym | tetraethylene glycol,tetraglycol,2,2'-oxybis ethane-2,1-diyl bis oxy diethanol,hi-dry,carbitol, diethyl,3,6,9-trioxaundecane-1,11-diol,bis 2-2-hydroxyethoxy ethyl ether,ethanol, 2,2'-oxybis 2,1-ethanediyloxy bis,tetra ethylene glycol,hsdb 843 |
| IUPAC Name | 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol |
| InChI Key | UWHCKJMYHZGTIT-UHFFFAOYSA-N |
| Molecular Formula | C8H18O5 |