Organooxygen compounds
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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-Bromo-1-(2-thienyl)-1-ethanone, Technical Grade, Thermo Scientific™
CAS: 10531-41-6 Molecular Formula: C6H5BrOS Molecular Weight (g/mol): 205.069 InChI Key: UHWNENCHFSDZQP-UHFFFAOYSA-N Synonym: 2-bromo-1-thiophen-2-yl ethanone,2-2-bromoacetyl thiophene,2-bromo-1-2-thienyl-1-ethanone,2-bromoacetyl thiophene,2-bromo-1-thiophen-2-yl-ethanone,2-bromo-1-2-thienyl ethanone,2-bromo-1-thiophen-2-yl ethan-1-one,ethanone, 2-bromo-1-2-thienyl,ethanone, 2-bromo-1-thienyl,2-bromo-1-2-thienyl ethan-1-one PubChem CID: 2776372 IUPAC Name: 2-bromo-1-thiophen-2-ylethanone SMILES: C1=CSC(=C1)C(=O)CBr
| PubChem CID | 2776372 |
|---|---|
| CAS | 10531-41-6 |
| Molecular Weight (g/mol) | 205.069 |
| SMILES | C1=CSC(=C1)C(=O)CBr |
| Synonym | 2-bromo-1-thiophen-2-yl ethanone,2-2-bromoacetyl thiophene,2-bromo-1-2-thienyl-1-ethanone,2-bromoacetyl thiophene,2-bromo-1-thiophen-2-yl-ethanone,2-bromo-1-2-thienyl ethanone,2-bromo-1-thiophen-2-yl ethan-1-one,ethanone, 2-bromo-1-2-thienyl,ethanone, 2-bromo-1-thienyl,2-bromo-1-2-thienyl ethan-1-one |
| IUPAC Name | 2-bromo-1-thiophen-2-ylethanone |
| InChI Key | UHWNENCHFSDZQP-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrOS |
3-Chloropropiophenone, 96%
CAS: 936-59-4 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00000990 InChI Key: KTJRGPZVSKWRTJ-UHFFFAOYSA-N Synonym: 3-chloropropiophenone,1-propanone, 3-chloro-1-phenyl,beta-chloropropiophenone,2-chloroethyl phenyl ketone,3-chloropropanophenone,3-chloro-1-phenyl-1-propanone,propiophenone, 3-chloro,3-chloro-1-phenyl-propan-1-one,.beta.-chloropropiophenone,.omega.-chloropropiophenone PubChem CID: 70295 IUPAC Name: 3-chloro-1-phenylpropan-1-one SMILES: C1=CC=C(C=C1)C(=O)CCCl
| PubChem CID | 70295 |
|---|---|
| CAS | 936-59-4 |
| Molecular Weight (g/mol) | 168.62 |
| MDL Number | MFCD00000990 |
| SMILES | C1=CC=C(C=C1)C(=O)CCCl |
| Synonym | 3-chloropropiophenone,1-propanone, 3-chloro-1-phenyl,beta-chloropropiophenone,2-chloroethyl phenyl ketone,3-chloropropanophenone,3-chloro-1-phenyl-1-propanone,propiophenone, 3-chloro,3-chloro-1-phenyl-propan-1-one,.beta.-chloropropiophenone,.omega.-chloropropiophenone |
| IUPAC Name | 3-chloro-1-phenylpropan-1-one |
| InChI Key | KTJRGPZVSKWRTJ-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO |
1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone, 90+%, Thermo Scientific™
CAS: 54223-20-0 Molecular Formula: C9H6BrNOS Molecular Weight (g/mol): 256.12 MDL Number: MFCD03659698 InChI Key: AYWGYNKWZWBMSV-UHFFFAOYSA-N Synonym: 1-1,3-benzothiazol-2-yl-2-bromo-1-ethanone,1-benzo d thiazol-2-yl-2-bromoethanone,1-1,3-benzothiazol-2-yl-2-bromoethanone,2-bromoacetyl benzothiazole,1-benzothiazol-2-yl-2-bromoethanone,1-benzothiazol-2-yl-2-bromo-ethanone,1-1,3-benzothiazol-2-yl-2-bromoethan-1-one,pubchem23327,2-bromoacetyl-1,3-benzothiazole PubChem CID: 2776256 SMILES: BrCC(=O)C1=NC2=CC=CC=C2S1
| PubChem CID | 2776256 |
|---|---|
| CAS | 54223-20-0 |
| Molecular Weight (g/mol) | 256.12 |
| MDL Number | MFCD03659698 |
| SMILES | BrCC(=O)C1=NC2=CC=CC=C2S1 |
| Synonym | 1-1,3-benzothiazol-2-yl-2-bromo-1-ethanone,1-benzo d thiazol-2-yl-2-bromoethanone,1-1,3-benzothiazol-2-yl-2-bromoethanone,2-bromoacetyl benzothiazole,1-benzothiazol-2-yl-2-bromoethanone,1-benzothiazol-2-yl-2-bromo-ethanone,1-1,3-benzothiazol-2-yl-2-bromoethan-1-one,pubchem23327,2-bromoacetyl-1,3-benzothiazole |
| InChI Key | AYWGYNKWZWBMSV-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNOS |
4'-(Methylthio)acetophenone, 99%
CAS: 1778-09-2 Molecular Formula: C9H10OS Molecular Weight (g/mol): 166.24 MDL Number: MFCD00039835 InChI Key: JECUZQLBQKNEMW-UHFFFAOYSA-N Synonym: 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone PubChem CID: 74501 IUPAC Name: 1-(4-methylsulfanylphenyl)ethanone SMILES: CSC1=CC=C(C=C1)C(C)=O
| PubChem CID | 74501 |
|---|---|
| CAS | 1778-09-2 |
| Molecular Weight (g/mol) | 166.24 |
| MDL Number | MFCD00039835 |
| SMILES | CSC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone |
| IUPAC Name | 1-(4-methylsulfanylphenyl)ethanone |
| InChI Key | JECUZQLBQKNEMW-UHFFFAOYSA-N |
| Molecular Formula | C9H10OS |
6-Methyl-3,5-heptadien-2-one, 97%
CAS: 1604-28-0 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.183 MDL Number: MFCD00043647 InChI Key: KSKXSFZGARKWOW-GQCTYLIASA-N Synonym: 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363 PubChem CID: 5370101 IUPAC Name: (3E)-6-methylhepta-3,5-dien-2-one SMILES: CC(=CC=CC(=O)C)C
| PubChem CID | 5370101 |
|---|---|
| CAS | 1604-28-0 |
| Molecular Weight (g/mol) | 124.183 |
| MDL Number | MFCD00043647 |
| SMILES | CC(=CC=CC(=O)C)C |
| Synonym | 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363 |
| IUPAC Name | (3E)-6-methylhepta-3,5-dien-2-one |
| InChI Key | KSKXSFZGARKWOW-GQCTYLIASA-N |
| Molecular Formula | C8H12O |
cis-2-Butene-1,4-diol, 96%, remainder trans-isomer
CAS: 6117-80-2 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00002924,MFCD00063207 InChI Key: ORTVZLZNOYNASJ-UPHRSURJSA-N Synonym: cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv PubChem CID: 643790 IUPAC Name: (Z)-but-2-ene-1,4-diol SMILES: OC\C=C/CO
| PubChem CID | 643790 |
|---|---|
| CAS | 6117-80-2 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00002924,MFCD00063207 |
| SMILES | OC\C=C/CO |
| Synonym | cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv |
| IUPAC Name | (Z)-but-2-ene-1,4-diol |
| InChI Key | ORTVZLZNOYNASJ-UPHRSURJSA-N |
| Molecular Formula | C4H8O2 |
2-Methyl-6-quinolinecarbaldehyde, ≥97%, Thermo Scientific™
CAS: 108166-03-6 Molecular Formula: C11H9NO Molecular Weight (g/mol): 171.20 MDL Number: MFCD08060502 InChI Key: WAPQHBBEWPVBTO-UHFFFAOYSA-N Synonym: 2-methyl-6-quinolinecarbaldehyde,2-methyl-6-quinolinecarboxaldehyde,2-methylquinoline-6-carboxaldehyde,6-quinolinecarboxaldehyde,2-methyl,6-quinolinecarboxaldehyde, 2-methyl,acmc-1bu0b,6-formyl-2-methylquinoline,2-methyl-quinoline-6-carbaldehyde PubChem CID: 7537486 IUPAC Name: 2-methylquinoline-6-carbaldehyde SMILES: CC1=CC=C2C=C(C=O)C=CC2=N1
| PubChem CID | 7537486 |
|---|---|
| CAS | 108166-03-6 |
| Molecular Weight (g/mol) | 171.20 |
| MDL Number | MFCD08060502 |
| SMILES | CC1=CC=C2C=C(C=O)C=CC2=N1 |
| Synonym | 2-methyl-6-quinolinecarbaldehyde,2-methyl-6-quinolinecarboxaldehyde,2-methylquinoline-6-carboxaldehyde,6-quinolinecarboxaldehyde,2-methyl,6-quinolinecarboxaldehyde, 2-methyl,acmc-1bu0b,6-formyl-2-methylquinoline,2-methyl-quinoline-6-carbaldehyde |
| IUPAC Name | 2-methylquinoline-6-carbaldehyde |
| InChI Key | WAPQHBBEWPVBTO-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO |
3-Benzylidene-2,4-pentanedione, 97%
CAS: 4335-90-4 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00014990 InChI Key: NYRGMNMVISROGJ-UHFFFAOYSA-N Synonym: 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone PubChem CID: 95782 IUPAC Name: 3-benzylidenepentane-2,4-dione SMILES: CC(=O)C(=CC1=CC=CC=C1)C(C)=O
| PubChem CID | 95782 |
|---|---|
| CAS | 4335-90-4 |
| Molecular Weight (g/mol) | 188.23 |
| MDL Number | MFCD00014990 |
| SMILES | CC(=O)C(=CC1=CC=CC=C1)C(C)=O |
| Synonym | 3-benzylidene-2,4-pentanedione,benzalacetylacetone,benzylidene acetylacetone,3-benzylideneacetylacetone,2,4-pentanedione, 3-phenylmethylene,1,1-diacetyl-2-phenylethylene,2,2-diacetylvinyl benzene,2-acetyl-1-phenyl but-1-en-3-one,2,4-pentanedione, 3-benzylidene,3-benzylidene acetylacetone |
| IUPAC Name | 3-benzylidenepentane-2,4-dione |
| InChI Key | NYRGMNMVISROGJ-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
Gossypol-Acetic Acid, MP Biomedicals™
CAS: 12542-36-8 Molecular Formula: C32H34O10 Molecular Weight (g/mol): 578.614 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 |
| 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 |
2-Butoxyethanol, 97%, Spectrum™ Chemical
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CAS: 111-76-2
| CAS | 111-76-2 |
|---|
2'-Hydroxy-4'-methoxyacetophenone, 99%
CAS: 552-41-0 MDL Number: MFCD00008730 InChI Key: UILPJVPSNHJFIK-UHFFFAOYSA-N Synonym: paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum PubChem CID: 11092 ChEBI: CHEBI:69581 IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)OC)O
| PubChem CID | 11092 |
|---|---|
| CAS | 552-41-0 |
| ChEBI | CHEBI:69581 |
| MDL Number | MFCD00008730 |
| SMILES | CC(=O)C1=C(C=C(C=C1)OC)O |
| Synonym | paeonol,2'-hydroxy-4'-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethanone,peonol,2-hydroxy-4-methoxyacetophenone,1-2-hydroxy-4-methoxyphenyl ethan-1-one,resacetophenone-4-methyl ether,ethanone, 1-2-hydroxy-4-methoxyphenyl,paeonal,paeonolum |
| IUPAC Name | 1-(2-hydroxy-4-methoxyphenyl)ethanone |
| InChI Key | UILPJVPSNHJFIK-UHFFFAOYSA-N |
o-Nitroacetophenone, 95%
CAS: 577-59-3 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00007144 InChI Key: SUGXZLKUDLDTKX-UHFFFAOYSA-N Synonym: 2'-nitroacetophenone,1-2-nitrophenyl ethanone,o-nitroacetophenone,ethanone, 1-2-nitrophenyl,2-acetylnitrobenzene,acetophenone, 2'-nitro,methyl 2-nitrophenyl ketone,unii-52l53k4x3o,ccris 2329,1-2-nitrophenyl ethan-1-one PubChem CID: 11346 IUPAC Name: 1-(2-nitrophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 11346 |
|---|---|
| CAS | 577-59-3 |
| Molecular Weight (g/mol) | 165.15 |
| MDL Number | MFCD00007144 |
| SMILES | CC(=O)C1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2'-nitroacetophenone,1-2-nitrophenyl ethanone,o-nitroacetophenone,ethanone, 1-2-nitrophenyl,2-acetylnitrobenzene,acetophenone, 2'-nitro,methyl 2-nitrophenyl ketone,unii-52l53k4x3o,ccris 2329,1-2-nitrophenyl ethan-1-one |
| IUPAC Name | 1-(2-nitrophenyl)ethanone |
| InChI Key | SUGXZLKUDLDTKX-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
2,6-Dimethylcyclohexanol, 99%, mixture of isomers
CAS: 5337-72-4 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.21 MDL Number: MFCD00001502 InChI Key: MOISVRZIQDQVPF-UHFFFAOYSA-N Synonym: 2,6-dimethylcyclohexanol,cyclohexanol, 2,6-dimethyl,2,6-dimethylcyclohexyl alcohol,ambsclk-255,cyclohexanol,6-dimethyl,2,6-dimethyl-cyclohexanol,acmc-20ao81,2,6-dimethylcyclohexanol,c&t,2,6-dimethyl-cyclohexan-1-ol,2,6-dimethylcyclohexanol, mixture of isomers PubChem CID: 21428 IUPAC Name: 2,6-dimethylcyclohexan-1-ol SMILES: CC1CCCC(C1O)C
| PubChem CID | 21428 |
|---|---|
| CAS | 5337-72-4 |
| Molecular Weight (g/mol) | 128.21 |
| MDL Number | MFCD00001502 |
| SMILES | CC1CCCC(C1O)C |
| Synonym | 2,6-dimethylcyclohexanol,cyclohexanol, 2,6-dimethyl,2,6-dimethylcyclohexyl alcohol,ambsclk-255,cyclohexanol,6-dimethyl,2,6-dimethyl-cyclohexanol,acmc-20ao81,2,6-dimethylcyclohexanol,c&t,2,6-dimethyl-cyclohexan-1-ol,2,6-dimethylcyclohexanol, mixture of isomers |
| IUPAC Name | 2,6-dimethylcyclohexan-1-ol |
| InChI Key | MOISVRZIQDQVPF-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
1-Amino-3,6,9,12-tetraoxapentadec-14-yne
CAS: 1013921-36-2 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.292 MDL Number: MFCD22380736 InChI Key: QDLPAHLHHBCWOW-UHFFFAOYSA-N Synonym: 3,6,9,12-tetraoxapentadec-14-yn-1-amine,amino-peg4-alkyne,propyne-peg4-amine,h2n-peg4-propyne,propyne-peg4-nh2,propargyl-peg4-amine,1-amino-3,6,9,12-tetraoxapentadec-14-yne,hc inverted exclamation markoc-ch2-peg4-nh2,2-2-2-2-propargyloxy ethoxy ethoxy ethoxy ethylamine PubChem CID: 86580391 IUPAC Name: 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine SMILES: C#CCOCCOCCOCCOCCN
| PubChem CID | 86580391 |
|---|---|
| CAS | 1013921-36-2 |
| Molecular Weight (g/mol) | 231.292 |
| MDL Number | MFCD22380736 |
| SMILES | C#CCOCCOCCOCCOCCN |
| Synonym | 3,6,9,12-tetraoxapentadec-14-yn-1-amine,amino-peg4-alkyne,propyne-peg4-amine,h2n-peg4-propyne,propyne-peg4-nh2,propargyl-peg4-amine,1-amino-3,6,9,12-tetraoxapentadec-14-yne,hc inverted exclamation markoc-ch2-peg4-nh2,2-2-2-2-propargyloxy ethoxy ethoxy ethoxy ethylamine |
| IUPAC Name | 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine |
| InChI Key | QDLPAHLHHBCWOW-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO4 |