Organooxygen compounds
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4-Bromo-1-butanol, tech., cont. varying amounts of THF
CAS: 33036-62-3 Molecular Formula: C4H9BrO Molecular Weight (g/mol): 153.019 MDL Number: MFCD00015387 InChI Key: SIJLYRDVTMMSIP-UHFFFAOYSA-N Synonym: 4-bromo-1-butanol,1-butanol, 4-bromo,4-bromobutanol,4-bromo-butan-1-ol,1-bromo-4-hydroxybutane,tetramethylene bromohydrin,4-bromo-n-butanol,1-bromobutan-4-ol,4-bromo butan-1-ol,acmc-1axcv PubChem CID: 118388 IUPAC Name: 4-bromobutan-1-ol SMILES: C(CCBr)CO
| PubChem CID | 118388 |
|---|---|
| CAS | 33036-62-3 |
| Molecular Weight (g/mol) | 153.019 |
| MDL Number | MFCD00015387 |
| SMILES | C(CCBr)CO |
| Synonym | 4-bromo-1-butanol,1-butanol, 4-bromo,4-bromobutanol,4-bromo-butan-1-ol,1-bromo-4-hydroxybutane,tetramethylene bromohydrin,4-bromo-n-butanol,1-bromobutan-4-ol,4-bromo butan-1-ol,acmc-1axcv |
| IUPAC Name | 4-bromobutan-1-ol |
| InChI Key | SIJLYRDVTMMSIP-UHFFFAOYSA-N |
| Molecular Formula | C4H9BrO |
Trimethyl Orthoformate, Spectrum™ Chemical
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CAS: 149-73-5
| CAS | 149-73-5 |
|---|
Poly(vinyl alcohol), 87.0-89.0% hydrolyzed, M.W. approx. 31,000-50,000
CAS: 9002-89-5 Molecular Formula: (C2H4O)n Molecular Weight (g/mol): 44.05 MDL Number: MFCD00081922 InChI Key: IMROMDMJAWUWLK-UHFFFAOYSA-N Synonym: vinyl alcohol,polyvinyl alcohol,hydroxyethene,hydroxyethylene,ethenol, homopolymer,gohsenol,polyviol,elvanol,mowiol,poval PubChem CID: 11199 IUPAC Name: ethenol SMILES: OC(-*)C-*
| PubChem CID | 11199 |
|---|---|
| CAS | 9002-89-5 |
| Molecular Weight (g/mol) | 44.05 |
| MDL Number | MFCD00081922 |
| SMILES | OC(-*)C-* |
| Synonym | vinyl alcohol,polyvinyl alcohol,hydroxyethene,hydroxyethylene,ethenol, homopolymer,gohsenol,polyviol,elvanol,mowiol,poval |
| IUPAC Name | ethenol |
| InChI Key | IMROMDMJAWUWLK-UHFFFAOYSA-N |
| Molecular Formula | (C2H4O)n |
| CAS | 2040-05-3 |
|---|---|
| MDL Number | MFCD00016339 |
Gossypol-acetic acid
CAS: 12542-36-8 Molecular Formula: C32H34O10 Molecular Weight (g/mol): 578.614 MDL Number: MFCD00058385 InChI Key: NIOHNDKHQHVLKA-UHFFFAOYSA-N Synonym: gossypol-acetic acid,gossypol acetate,gossypol acetic acid,acetate gossypol,--gossypol acetic acid,s-gossypol acetic acid,at-101 acetic acid,gossypol-acetic acid complex PubChem CID: 227456 IUPAC Name: acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde SMILES: CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O
| PubChem CID | 227456 |
|---|---|
| CAS | 12542-36-8 |
| Molecular Weight (g/mol) | 578.614 |
| MDL Number | MFCD00058385 |
| SMILES | CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O |
| Synonym | gossypol-acetic acid,gossypol acetate,gossypol acetic acid,acetate gossypol,--gossypol acetic acid,s-gossypol acetic acid,at-101 acetic acid,gossypol-acetic acid complex |
| IUPAC Name | acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde |
| InChI Key | NIOHNDKHQHVLKA-UHFFFAOYSA-N |
| Molecular Formula | C32H34O10 |
Bromopyruvic acid, 97%
CAS: 1113-59-3 Molecular Formula: C3H3BrO3 Molecular Weight (g/mol): 166.958 MDL Number: MFCD00002587 InChI Key: PRRZDZJYSJLDBS-UHFFFAOYSA-N Synonym: 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid PubChem CID: 70684 IUPAC Name: 3-bromo-2-oxopropanoic acid SMILES: C(C(=O)C(=O)O)Br
| PubChem CID | 70684 |
|---|---|
| CAS | 1113-59-3 |
| Molecular Weight (g/mol) | 166.958 |
| MDL Number | MFCD00002587 |
| SMILES | C(C(=O)C(=O)O)Br |
| Synonym | 3-bromopyruvic acid,bromopyruvic acid,bromopyruvate,3-bromopyruvate,3-bromo-2-oxopropionic acid,bromopyruvicacid,pyruvic acid, bromo,propanoic acid, 3-bromo-2-oxo,unii-63jmv04grk,.beta.-bromopyruvic acid |
| IUPAC Name | 3-bromo-2-oxopropanoic acid |
| InChI Key | PRRZDZJYSJLDBS-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO3 |
2-(Methylsulfonyl)ethanol, 97%
CAS: 15205-66-0 Molecular Formula: C3H8O3S Molecular Weight (g/mol): 124.154 MDL Number: MFCD00014747 InChI Key: KFTYFTKODBWKOU-UHFFFAOYSA-N Synonym: 2-methylsulfonyl ethanol,2-hydroxyethyl methyl sulfone,2-methanesulfonylethanol,2-methanesulfonylethan-1-ol,2-methanesulfonyl-ethanol,2-methanesulfonyl ethanol,ethanol, 2-methylsulfonyl,unii-5fi8eb2k0l,2-methylsulphonyl ethanol,2-methylsulfonyl ethyl alcohol PubChem CID: 84834 IUPAC Name: 2-methylsulfonylethanol SMILES: CS(=O)(=O)CCO
| PubChem CID | 84834 |
|---|---|
| CAS | 15205-66-0 |
| Molecular Weight (g/mol) | 124.154 |
| MDL Number | MFCD00014747 |
| SMILES | CS(=O)(=O)CCO |
| Synonym | 2-methylsulfonyl ethanol,2-hydroxyethyl methyl sulfone,2-methanesulfonylethanol,2-methanesulfonylethan-1-ol,2-methanesulfonyl-ethanol,2-methanesulfonyl ethanol,ethanol, 2-methylsulfonyl,unii-5fi8eb2k0l,2-methylsulphonyl ethanol,2-methylsulfonyl ethyl alcohol |
| IUPAC Name | 2-methylsulfonylethanol |
| InChI Key | KFTYFTKODBWKOU-UHFFFAOYSA-N |
| Molecular Formula | C3H8O3S |
Ethyl 5-benzyloxyindole-2-carboxylate, 97%
CAS: 37033-95-7 Molecular Formula: C18H17NO3 Molecular Weight (g/mol): 295.338 MDL Number: MFCD00022702 InChI Key: DCIFXYFKVKDOLL-UHFFFAOYSA-N Synonym: ethyl 5-benzyloxy-1h-indole-2-carboxylate,ethyl 5-benzyloxyindole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethyl ester,5-benzyloxy-2-carbethoxyindole,ethyl 5-benzyloxy indole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethylester,ethyl 5-phenylmethoxy-1h-indole-2-carboxylate,5-phenylmethoxy-1h-indole-2-carboxylic acid ethyl ester,5-benzyloxyindole-2-carboxylic acid*ethyl ester c,1h-indole-2-carboxylic acid, 5-phenylmethoxy-, ethyl ester PubChem CID: 95721 IUPAC Name: ethyl 5-phenylmethoxy-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3
| PubChem CID | 95721 |
|---|---|
| CAS | 37033-95-7 |
| Molecular Weight (g/mol) | 295.338 |
| MDL Number | MFCD00022702 |
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3 |
| Synonym | ethyl 5-benzyloxy-1h-indole-2-carboxylate,ethyl 5-benzyloxyindole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethyl ester,5-benzyloxy-2-carbethoxyindole,ethyl 5-benzyloxy indole-2-carboxylate,5-benzyloxyindole-2-carboxylic acid ethylester,ethyl 5-phenylmethoxy-1h-indole-2-carboxylate,5-phenylmethoxy-1h-indole-2-carboxylic acid ethyl ester,5-benzyloxyindole-2-carboxylic acid*ethyl ester c,1h-indole-2-carboxylic acid, 5-phenylmethoxy-, ethyl ester |
| IUPAC Name | ethyl 5-phenylmethoxy-1H-indole-2-carboxylate |
| InChI Key | DCIFXYFKVKDOLL-UHFFFAOYSA-N |
| Molecular Formula | C18H17NO3 |
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 |
trans-4-Decenal, 96%, may cont. ca 7% cis-isomer
CAS: 65405-70-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00065447 InChI Key: CWRKZMLUDFBPAO-VOTSOKGWSA-N Synonym: trans-4-decen-1-al,trans-4-decenal,e-4-decenal,e-dec-4-enal,4-decenal, e,4-decenal,unii-kz74b5801j,4-decene-1-al,dec-4-enal,fema no. 3264 PubChem CID: 5702654 IUPAC Name: (E)-dec-4-enal SMILES: CCCCCC=CCCC=O
| PubChem CID | 5702654 |
|---|---|
| CAS | 65405-70-1 |
| Molecular Weight (g/mol) | 154.253 |
| MDL Number | MFCD00065447 |
| SMILES | CCCCCC=CCCC=O |
| Synonym | trans-4-decen-1-al,trans-4-decenal,e-4-decenal,e-dec-4-enal,4-decenal, e,4-decenal,unii-kz74b5801j,4-decene-1-al,dec-4-enal,fema no. 3264 |
| IUPAC Name | (E)-dec-4-enal |
| InChI Key | CWRKZMLUDFBPAO-VOTSOKGWSA-N |
| Molecular Formula | C10H18O |
Ethyl 4-nitrophenylglyoxylate, 98+%
CAS: 70091-75-7 Molecular Formula: C10H9NO5 Molecular Weight (g/mol): 223.18 MDL Number: MFCD00051841 InChI Key: ZFCXKZCKJZFZGR-UHFFFAOYSA-N Synonym: ethyl 4-nitrophenylglyoxylate,ethyl 2-4-nitrophenyl-2-oxoacetate,ethyl 4-nitrobenzoylformate,ethyl 4-nitrophenyl oxo acetate,ethyl p-nitrophenylglyoxylate,ethyl-4-nitrophenylglyoxylate,ethyl 4-nitrophenyl oxo acetate #,4-nitrophenyloxoacetic acid ethyl ester,4-nitro-phenyl-oxo-acetic acid ethyl ester PubChem CID: 522372 IUPAC Name: ethyl 2-(4-nitrophenyl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 522372 |
|---|---|
| CAS | 70091-75-7 |
| Molecular Weight (g/mol) | 223.18 |
| MDL Number | MFCD00051841 |
| SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | ethyl 4-nitrophenylglyoxylate,ethyl 2-4-nitrophenyl-2-oxoacetate,ethyl 4-nitrobenzoylformate,ethyl 4-nitrophenyl oxo acetate,ethyl p-nitrophenylglyoxylate,ethyl-4-nitrophenylglyoxylate,ethyl 4-nitrophenyl oxo acetate #,4-nitrophenyloxoacetic acid ethyl ester,4-nitro-phenyl-oxo-acetic acid ethyl ester |
| IUPAC Name | ethyl 2-(4-nitrophenyl)-2-oxoacetate |
| InChI Key | ZFCXKZCKJZFZGR-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO5 |
4-Chlorobutyrophenone, 95%, Thermo Scientific™
CAS: 939-52-6 Molecular Formula: C10H11ClO Molecular Weight (g/mol): 182.65 MDL Number: MFCD00001005 InChI Key: GHEFQKHLHFXSBR-UHFFFAOYSA-N Synonym: 4-chlorobutyrophenone,gamma-chlorobutyrophenone,4-chloro-1-oxo-1-phenylbutane,.gamma.-chlorobutyrophenone,1-butanone,4-chloro-1-phenyl,chlorpropylphenylketon,4-chlorobutyrylbenzene,4-chlorobutyro-phenone,3-benzoylpropyl chloride,.omega.-chlorobutyrophenone PubChem CID: 253533 IUPAC Name: 4-chloro-1-phenylbutan-1-one SMILES: ClCCCC(=O)C1=CC=CC=C1
| PubChem CID | 253533 |
|---|---|
| CAS | 939-52-6 |
| Molecular Weight (g/mol) | 182.65 |
| MDL Number | MFCD00001005 |
| SMILES | ClCCCC(=O)C1=CC=CC=C1 |
| Synonym | 4-chlorobutyrophenone,gamma-chlorobutyrophenone,4-chloro-1-oxo-1-phenylbutane,.gamma.-chlorobutyrophenone,1-butanone,4-chloro-1-phenyl,chlorpropylphenylketon,4-chlorobutyrylbenzene,4-chlorobutyro-phenone,3-benzoylpropyl chloride,.omega.-chlorobutyrophenone |
| IUPAC Name | 4-chloro-1-phenylbutan-1-one |
| InChI Key | GHEFQKHLHFXSBR-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO |
2-Ethoxyethyl Ether, 98+%, Extra Pure
CAS: 112-36-7 MDL Number: MFCD00009254 InChI Key: RRQYJINTUHWNHW-UHFFFAOYSA-N Synonym: diethylene glycol diethyl ether,2-ethoxyethyl ether,diethyl carbitol,ethyl diglyme,1-ethoxy-2-2-ethoxyethoxy ethane,bis 2-ethoxyethyl ether,diethyldiethylene glycol,3,6,9-trioxaundecane,degdee,ether, bis 2-ethoxyethyl PubChem CID: 8179 ChEBI: CHEBI:44664 IUPAC Name: 1-ethoxy-2-(2-ethoxyethoxy)ethane SMILES: CCOCCOCCOCC
| PubChem CID | 8179 |
|---|---|
| CAS | 112-36-7 |
| ChEBI | CHEBI:44664 |
| MDL Number | MFCD00009254 |
| SMILES | CCOCCOCCOCC |
| Synonym | diethylene glycol diethyl ether,2-ethoxyethyl ether,diethyl carbitol,ethyl diglyme,1-ethoxy-2-2-ethoxyethoxy ethane,bis 2-ethoxyethyl ether,diethyldiethylene glycol,3,6,9-trioxaundecane,degdee,ether, bis 2-ethoxyethyl |
| IUPAC Name | 1-ethoxy-2-(2-ethoxyethoxy)ethane |
| InChI Key | RRQYJINTUHWNHW-UHFFFAOYSA-N |
2-Methyl-1-propanol, 99+%, spectrophotometric grade
CAS: 78-83-1 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00004740 InChI Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N Synonym: 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol PubChem CID: 6560 ChEBI: CHEBI:46645 IUPAC Name: 2-methylpropan-1-ol SMILES: CC(C)CO
| PubChem CID | 6560 |
|---|---|
| CAS | 78-83-1 |
| Molecular Weight (g/mol) | 74.12 |
| ChEBI | CHEBI:46645 |
| MDL Number | MFCD00004740 |
| SMILES | CC(C)CO |
| Synonym | 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol |
| IUPAC Name | 2-methylpropan-1-ol |
| InChI Key | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
1,4-Cyclohexanediol, cis + trans, 98%
CAS: 556-48-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
| PubChem CID | 11162 |
|---|---|
| CAS | 556-48-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
| SMILES | OC1CCC(O)CC1 |
| Synonym | 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |