Organooxygen compounds
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4'-Chloroacetophenone, 98+%
CAS: 99-91-2 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000624 InChI Key: BUZYGTVTZYSBCU-UHFFFAOYSA-N Synonym: 4'-chloroacetophenone,1-4-chlorophenyl ethanone,4-chloroacetophenone,p-chloroacetophenone,ethanone, 1-4-chlorophenyl,acetophenone, 4'-chloro,1-4-chlorophenyl ethan-1-one,4-acetylchlorobenzene,p-chloracetophenone,p-acetylchlorobenzene PubChem CID: 7467 ChEBI: CHEBI:27538 IUPAC Name: 1-(4-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 7467 |
|---|---|
| CAS | 99-91-2 |
| Molecular Weight (g/mol) | 154.59 |
| ChEBI | CHEBI:27538 |
| MDL Number | MFCD00000624 |
| SMILES | CC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4'-chloroacetophenone,1-4-chlorophenyl ethanone,4-chloroacetophenone,p-chloroacetophenone,ethanone, 1-4-chlorophenyl,acetophenone, 4'-chloro,1-4-chlorophenyl ethan-1-one,4-acetylchlorobenzene,p-chloracetophenone,p-acetylchlorobenzene |
| IUPAC Name | 1-(4-chlorophenyl)ethanone |
| InChI Key | BUZYGTVTZYSBCU-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
Propylene Glycol, FCC, 99.5%, Spectrum™ Chemical
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CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYNA-N IUPAC Name: propane-1,2-diol SMILES: CC(O)CO
| CAS | 57-55-6 |
|---|---|
| Molecular Weight (g/mol) | 76.10 |
| SMILES | CC(O)CO |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2 |
Sodium Erythorbate, FCC, 98-100.5%, Spectrum™ Chemical
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CAS: 6381-77-7 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: QNSCGSPRKIPKTN-RKJRWTFHSA-N IUPAC Name: sodium (2R)-2-[(2R)-4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl]-2-hydroxyethan-1-olate SMILES: [Na+].O[C@H](C[O-])[C@H]1OC(O)=C(O)C1=O
| CAS | 6381-77-7 |
|---|---|
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].O[C@H](C[O-])[C@H]1OC(O)=C(O)C1=O |
| IUPAC Name | sodium (2R)-2-[(2R)-4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl]-2-hydroxyethan-1-olate |
| InChI Key | QNSCGSPRKIPKTN-RKJRWTFHSA-N |
| Molecular Formula | C6H7NaO6 |
4'-Methylacetophenone, 95%
CAS: 122-00-9 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008751 InChI Key: GNKZMNRKLCTJAY-UHFFFAOYSA-N Synonym: 4'-methylacetophenone,p-methylacetophenone,1-p-tolyl ethanone,1-p-tolylethanone,melilotal,4-methylacetophenone,4-acetyltoluene,1-4-methylphenyl ethanone,methyl p-tolyl ketone,p-acetotoluene PubChem CID: 8500 IUPAC Name: 1-(4-methylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C)C=C1
| PubChem CID | 8500 |
|---|---|
| CAS | 122-00-9 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00008751 |
| SMILES | CC(=O)C1=CC=C(C)C=C1 |
| Synonym | 4'-methylacetophenone,p-methylacetophenone,1-p-tolyl ethanone,1-p-tolylethanone,melilotal,4-methylacetophenone,4-acetyltoluene,1-4-methylphenyl ethanone,methyl p-tolyl ketone,p-acetotoluene |
| IUPAC Name | 1-(4-methylphenyl)ethanone |
| InChI Key | GNKZMNRKLCTJAY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
3-Methyl-1-butanol, 98%, pure, mixture of Isomers
CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002934 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO
| PubChem CID | 31260 |
|---|---|
| CAS | 123-51-3 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:15837 |
| MDL Number | MFCD00002934 |
| SMILES | CC(C)CCO |
| Synonym | 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol |
| IUPAC Name | 3-methylbutan-1-ol |
| InChI Key | PHTQWCKDNZKARW-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
2-Carboxybenzaldehyde, 98+%
CAS: 119-67-5 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.133 MDL Number: MFCD00003336 InChI Key: DYNFCHNNOHNJFG-UHFFFAOYSA-N Synonym: 2-carboxybenzaldehyde,phthalaldehydic acid,o-formylbenzoic acid,benzoic acid, 2-formyl,o-carboxybenzaldehyde,benzoic acid, formyl,benzaldehyde-2-carboxylic acid,formylbenzoic acid,carboxybenzaldehyde,pubchem7365 PubChem CID: 8406 ChEBI: CHEBI:17605 IUPAC Name: 2-formylbenzoic acid SMILES: C1=CC=C(C(=C1)C=O)C(=O)O
| PubChem CID | 8406 |
|---|---|
| CAS | 119-67-5 |
| Molecular Weight (g/mol) | 150.133 |
| ChEBI | CHEBI:17605 |
| MDL Number | MFCD00003336 |
| SMILES | C1=CC=C(C(=C1)C=O)C(=O)O |
| Synonym | 2-carboxybenzaldehyde,phthalaldehydic acid,o-formylbenzoic acid,benzoic acid, 2-formyl,o-carboxybenzaldehyde,benzoic acid, formyl,benzaldehyde-2-carboxylic acid,formylbenzoic acid,carboxybenzaldehyde,pubchem7365 |
| IUPAC Name | 2-formylbenzoic acid |
| InChI Key | DYNFCHNNOHNJFG-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
trans-2-Nonenal, 97%
CAS: 18829-56-6 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.226 MDL Number: MFCD00007012 InChI Key: BSAIUMLZVGUGKX-BQYQJAHWSA-N Synonym: trans-2-nonenal,2-nonenal,e-2-nonenal,e-non-2-enal,3-hexylacrolein,2-nonenal, 2e,beta-hexylacrolein,2-nonenal, e,heptylideneacetaldehyde,alpha-nonenyl aldehyde PubChem CID: 5283335 IUPAC Name: (E)-non-2-enal SMILES: CCCCCCC=CC=O
| PubChem CID | 5283335 |
|---|---|
| CAS | 18829-56-6 |
| Molecular Weight (g/mol) | 140.226 |
| MDL Number | MFCD00007012 |
| SMILES | CCCCCCC=CC=O |
| Synonym | trans-2-nonenal,2-nonenal,e-2-nonenal,e-non-2-enal,3-hexylacrolein,2-nonenal, 2e,beta-hexylacrolein,2-nonenal, e,heptylideneacetaldehyde,alpha-nonenyl aldehyde |
| IUPAC Name | (E)-non-2-enal |
| InChI Key | BSAIUMLZVGUGKX-BQYQJAHWSA-N |
| Molecular Formula | C9H16O |
| MDL Number | MFCD00006991 |
|---|
Diethylene glycol dibutyl ether, 99+%
CAS: 112-73-2 Molecular Formula: C12H26O3 Molecular Weight (g/mol): 218.337 MDL Number: MFCD00009459 InChI Key: KZVBBTZJMSWGTK-UHFFFAOYSA-N Synonym: diethylene glycol dibutyl ether,bis 2-butoxyethyl ether,dibutyl carbitol,butyl diglyme,1-2-2-butoxyethoxy ethoxy butane,5,8,11-trioxapentadecane,ether, bis butoxyethyl,2,2'-dibutoxyethyl ether,ether, bis 2-butoxyethyl PubChem CID: 8210 IUPAC Name: 1-[2-(2-butoxyethoxy)ethoxy]butane SMILES: CCCCOCCOCCOCCCC
| PubChem CID | 8210 |
|---|---|
| CAS | 112-73-2 |
| Molecular Weight (g/mol) | 218.337 |
| MDL Number | MFCD00009459 |
| SMILES | CCCCOCCOCCOCCCC |
| Synonym | diethylene glycol dibutyl ether,bis 2-butoxyethyl ether,dibutyl carbitol,butyl diglyme,1-2-2-butoxyethoxy ethoxy butane,5,8,11-trioxapentadecane,ether, bis butoxyethyl,2,2'-dibutoxyethyl ether,ether, bis 2-butoxyethyl |
| IUPAC Name | 1-[2-(2-butoxyethoxy)ethoxy]butane |
| InChI Key | KZVBBTZJMSWGTK-UHFFFAOYSA-N |
| Molecular Formula | C12H26O3 |
4-Methylmorpholine N-oxide hydrate, 97%
CAS: 80913-66-2 Molecular Formula: C5H11NO2 Molecular Weight (g/mol): 117.15 MDL Number: MFCD00005947 InChI Key: LFTLOKWAGJYHHR-UHFFFAOYSA-N Synonym: 4-methylmorpholine n-oxide,4-methylmorpholine 4-oxide,n-methylmorpholine oxide,n-methylmorpholine n-oxide,morpholine, 4-methyl-, 4-oxide,4-methylmorpholine-4-oxide,methyl morpholine oxide,n-methylmorpholine-n-oxide,nmo,unii-arc64pkj0f PubChem CID: 82029 ChEBI: CHEBI:52093 IUPAC Name: 4-methyl-4-oxidomorpholin-4-ium SMILES: C[N+]1([O-])CCOCC1
| PubChem CID | 82029 |
|---|---|
| CAS | 80913-66-2 |
| Molecular Weight (g/mol) | 117.15 |
| ChEBI | CHEBI:52093 |
| MDL Number | MFCD00005947 |
| SMILES | C[N+]1([O-])CCOCC1 |
| Synonym | 4-methylmorpholine n-oxide,4-methylmorpholine 4-oxide,n-methylmorpholine oxide,n-methylmorpholine n-oxide,morpholine, 4-methyl-, 4-oxide,4-methylmorpholine-4-oxide,methyl morpholine oxide,n-methylmorpholine-n-oxide,nmo,unii-arc64pkj0f |
| IUPAC Name | 4-methyl-4-oxidomorpholin-4-ium |
| InChI Key | LFTLOKWAGJYHHR-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO2 |
4-tert-Butylcalix[4]arene, 99%
CAS: 60705-62-6 Molecular Formula: C44H56O4 Molecular Weight (g/mol): 648.93 MDL Number: MFCD00066280 InChI Key: NVKLTRSBZLYZHK-UHFFFAOYSA-N Synonym: 4-tert-butylcalix 4 arene,tetra-tert-butyl tetrahydroxy calix 4 arene,5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene,4-t-butylcalix 4 arene,tetratert-butyl ? tetrol,p-tert-butylcalix 4 arene,4-tert-butylcalix 4 arene 5g,ethyl 2-5,11,17,23-tetra tert-butyl-26,27,28-tris 2-ethoxy-2-oxyethoxy pentacyclo 19.3.1.1∼3,7∼.1∼9,13∼.1∼15,19∼ octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15,17, PubChem CID: 335377 IUPAC Name: 5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol SMILES: CC(C)(C)C1=CC2=C(O)C(CC3=C(O)C(CC4=C(O)C(CC5=C(O)C(C2)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)=C1
| PubChem CID | 335377 |
|---|---|
| CAS | 60705-62-6 |
| Molecular Weight (g/mol) | 648.93 |
| MDL Number | MFCD00066280 |
| SMILES | CC(C)(C)C1=CC2=C(O)C(CC3=C(O)C(CC4=C(O)C(CC5=C(O)C(C2)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)=C1 |
| Synonym | 4-tert-butylcalix 4 arene,tetra-tert-butyl tetrahydroxy calix 4 arene,5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene,4-t-butylcalix 4 arene,tetratert-butyl ? tetrol,p-tert-butylcalix 4 arene,4-tert-butylcalix 4 arene 5g,ethyl 2-5,11,17,23-tetra tert-butyl-26,27,28-tris 2-ethoxy-2-oxyethoxy pentacyclo 19.3.1.1∼3,7∼.1∼9,13∼.1∼15,19∼ octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15,17, |
| IUPAC Name | 5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol |
| InChI Key | NVKLTRSBZLYZHK-UHFFFAOYSA-N |
| Molecular Formula | C44H56O4 |
Dihydromyrcenol, 99.1%, MP Biomedicals™
CAS: 18479-58-8 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00004474 InChI Key: XSNQECSCDATQEL-UHFFFAOYSA-N Synonym: dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 PubChem CID: 29096 ChEBI: CHEBI:87528 IUPAC Name: 2,6-dimethyloct-7-en-2-ol SMILES: CC(CCCC(C)(C)O)C=C
| PubChem CID | 29096 |
|---|---|
| CAS | 18479-58-8 |
| Molecular Weight (g/mol) | 156.269 |
| ChEBI | CHEBI:87528 |
| MDL Number | MFCD00004474 |
| SMILES | CC(CCCC(C)(C)O)C=C |
| Synonym | dihydromyrcenol,2,6-dimethyl-7-octen-2-ol,7-octen-2-ol, 2,6-dimethyl,1,1,5-trimethyl-6-heptenol,1-2,6-dimethyloct-7-en-2-ol,dsstox_cid_9317,myrcenol, 6,10-dihydro,dsstox_rid_78761 |
| IUPAC Name | 2,6-dimethyloct-7-en-2-ol |
| InChI Key | XSNQECSCDATQEL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
1,2-Indanedione, 95%
CAS: 16214-27-0 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 InChI Key: WFFZGYRTVIPBFN-UHFFFAOYSA-N Synonym: 1h-indene-1,2 3h-dione,1,2-indanedione,indan-1,2-dione,1,2-indandione,indandione,2,3-dihydro-1h-indene-1,2-dione,indane dione,acmc-20a7vb,d01xgp PubChem CID: 123358 IUPAC Name: 3H-indene-1,2-dione SMILES: C1C2=CC=CC=C2C(=O)C1=O
| PubChem CID | 123358 |
|---|---|
| CAS | 16214-27-0 |
| Molecular Weight (g/mol) | 146.15 |
| SMILES | C1C2=CC=CC=C2C(=O)C1=O |
| Synonym | 1h-indene-1,2 3h-dione,1,2-indanedione,indan-1,2-dione,1,2-indandione,indandione,2,3-dihydro-1h-indene-1,2-dione,indane dione,acmc-20a7vb,d01xgp |
| IUPAC Name | 3H-indene-1,2-dione |
| InChI Key | WFFZGYRTVIPBFN-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
Entecavir monohydrate, 99%, Thermo Scientific Chemicals
CAS: 209216-23-9 Molecular Formula: C12H15N5O3·H20 Molecular Weight (g/mol): 295.29 InChI Key: YXPVEXCTPGULBZ-WQYNNSOESA-N Synonym: entecavir hydrate,entecavir monohydrate,baraclude tn,entecavir usan,entecavir hydrate jan,baraclude,9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl guanine monohydrate,entecavir inn,2-amino-9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylidenecyclopentyl-1,9-dihydro-6h-purin-6-one-water 1/1 PubChem CID: 16052026 ChEBI: CHEBI:59902 IUPAC Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;hydrate SMILES: C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O
| PubChem CID | 16052026 |
|---|---|
| CAS | 209216-23-9 |
| Molecular Weight (g/mol) | 295.29 |
| ChEBI | CHEBI:59902 |
| SMILES | C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N.O |
| Synonym | entecavir hydrate,entecavir monohydrate,baraclude tn,entecavir usan,entecavir hydrate jan,baraclude,9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl guanine monohydrate,entecavir inn,2-amino-9-1s,3r,4s-4-hydroxy-3-hydroxymethyl-2-methylidenecyclopentyl-1,9-dihydro-6h-purin-6-one-water 1/1 |
| IUPAC Name | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one;hydrate |
| InChI Key | YXPVEXCTPGULBZ-WQYNNSOESA-N |
| Molecular Formula | C12H15N5O3·H20 |
1,2,4-Butanetriol, 96%, Thermo Scientific Chemicals
CAS: 3068-00-6 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.121 MDL Number: MFCD00002929 InChI Key: ARXKVVRQIIOZGF-UHFFFAOYSA-N Synonym: 1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea PubChem CID: 18302 IUPAC Name: butane-1,2,4-triol SMILES: C(CO)C(CO)O
| PubChem CID | 18302 |
|---|---|
| CAS | 3068-00-6 |
| Molecular Weight (g/mol) | 106.121 |
| MDL Number | MFCD00002929 |
| SMILES | C(CO)C(CO)O |
| Synonym | 1,2,4-butanetriol,2-deoxyerythritol,1,3,4-butanetriol,triol 124,1,2,4-trihydroxybutane,1,2,4-butantriol,1,2,4-butantriol german,+/--1,2,4-butanetriol,2-deoxyerthritol,dialkylenethiourea |
| IUPAC Name | butane-1,2,4-triol |
| InChI Key | ARXKVVRQIIOZGF-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |