Organooxygen compounds
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5'-Bromo-2'-hydroxyacetophenone 97.0+%, TCI America™
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CAS: 1450-75-5 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00191850 InChI Key: HQCCNFFIOWYINW-UHFFFAOYSA-N Synonym: 5'-bromo-2'-hydroxyacetophenone,1-5-bromo-2-hydroxyphenyl ethanone,2-acetyl-4-bromophenol,5-bromo-2-hydroxyacetophenone,2'-hydroxy-5'-bromoacetophenone,1-5-bromo-2-hydroxyphenyl ethan-1-one,ethanone, 1-5-bromo-2-hydroxyphenyl,2-hydroxy-5-bromoacetophenone,1-5-bromo-2-hydroxyphenyl-ethanon PubChem CID: 95991 IUPAC Name: 1-(5-bromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)Br)O
| PubChem CID | 95991 |
|---|---|
| CAS | 1450-75-5 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00191850 |
| SMILES | CC(=O)C1=C(C=CC(=C1)Br)O |
| Synonym | 5'-bromo-2'-hydroxyacetophenone,1-5-bromo-2-hydroxyphenyl ethanone,2-acetyl-4-bromophenol,5-bromo-2-hydroxyacetophenone,2'-hydroxy-5'-bromoacetophenone,1-5-bromo-2-hydroxyphenyl ethan-1-one,ethanone, 1-5-bromo-2-hydroxyphenyl,2-hydroxy-5-bromoacetophenone,1-5-bromo-2-hydroxyphenyl-ethanon |
| IUPAC Name | 1-(5-bromo-2-hydroxyphenyl)ethanone |
| InChI Key | HQCCNFFIOWYINW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
Diphenoxymethane 98.0+%, TCI America™
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CAS: 4442-41-5 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00191642 InChI Key: VTXLTXPNXYLCQD-UHFFFAOYSA-N Synonym: Formaldehyde Diphenyl Acetal, Methylene Glycol Diphenyl Ether PubChem CID: 78183 IUPAC Name: phenoxymethoxybenzene SMILES: C1=CC=C(C=C1)OCOC2=CC=CC=C2
| PubChem CID | 78183 |
|---|---|
| CAS | 4442-41-5 |
| Molecular Weight (g/mol) | 200.237 |
| MDL Number | MFCD00191642 |
| SMILES | C1=CC=C(C=C1)OCOC2=CC=CC=C2 |
| Synonym | Formaldehyde Diphenyl Acetal, Methylene Glycol Diphenyl Ether |
| IUPAC Name | phenoxymethoxybenzene |
| InChI Key | VTXLTXPNXYLCQD-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
2-Propylcyclohexanol (cis- and trans- mixture) 90.0+%, TCI America™
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CAS: 90676-25-8 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.24 MDL Number: MFCD00019331 InChI Key: VZBNUCDUQJCIDP-UHFFFAOYNA-N PubChem CID: 138614 IUPAC Name: 2-propylcyclohexan-1-ol SMILES: CCCC1CCCCC1O
| PubChem CID | 138614 |
|---|---|
| CAS | 90676-25-8 |
| Molecular Weight (g/mol) | 142.24 |
| MDL Number | MFCD00019331 |
| SMILES | CCCC1CCCCC1O |
| IUPAC Name | 2-propylcyclohexan-1-ol |
| InChI Key | VZBNUCDUQJCIDP-UHFFFAOYNA-N |
| Molecular Formula | C9H18O |
2-(4-Methoxycyclohexyl)ethylamine (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 1052223-70-7 Molecular Formula: C9H19NO Molecular Weight (g/mol): 157.257 MDL Number: MFCD07772981 InChI Key: CDTAOSZEZXQTRJ-UHFFFAOYSA-N Synonym: 1-(2-Aminoethyl)-4-methoxycyclohexane PubChem CID: 53434199 IUPAC Name: 2-(4-methoxycyclohexyl)ethanamine SMILES: COC1CCC(CC1)CCN
| PubChem CID | 53434199 |
|---|---|
| CAS | 1052223-70-7 |
| Molecular Weight (g/mol) | 157.257 |
| MDL Number | MFCD07772981 |
| SMILES | COC1CCC(CC1)CCN |
| Synonym | 1-(2-Aminoethyl)-4-methoxycyclohexane |
| IUPAC Name | 2-(4-methoxycyclohexyl)ethanamine |
| InChI Key | CDTAOSZEZXQTRJ-UHFFFAOYSA-N |
| Molecular Formula | C9H19NO |
3-Acetylbenzoic Acid 97.0+%, TCI America™
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CAS: 586-42-5 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00045847 InChI Key: CHZPJUSFUDUEMZ-UHFFFAOYSA-N Synonym: m-acetylbenzoic acid,benzoic acid, 3-acetyl,3-acetylbenzoicacid,3-acetophenonecarboxylic acid,acetophenone-3-carboxylic acid,3-acetyl benzoic acid,3-acetyl-benzoic acid,hypnone-m-carboxylic acid,3-1-oxoethyl benzoic acid,3-acetylbenzoic acid PubChem CID: 220324 IUPAC Name: 3-acetylbenzoic acid SMILES: CC(=O)C1=CC(=CC=C1)C(=O)O
| PubChem CID | 220324 |
|---|---|
| CAS | 586-42-5 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00045847 |
| SMILES | CC(=O)C1=CC(=CC=C1)C(=O)O |
| Synonym | m-acetylbenzoic acid,benzoic acid, 3-acetyl,3-acetylbenzoicacid,3-acetophenonecarboxylic acid,acetophenone-3-carboxylic acid,3-acetyl benzoic acid,3-acetyl-benzoic acid,hypnone-m-carboxylic acid,3-1-oxoethyl benzoic acid,3-acetylbenzoic acid |
| IUPAC Name | 3-acetylbenzoic acid |
| InChI Key | CHZPJUSFUDUEMZ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
Ethyl 2-Hexylacetoacetate 95.0+%, TCI America™
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CAS: 29214-60-6 Molecular Formula: C12H22O3 Molecular Weight (g/mol): 214.305 MDL Number: MFCD00026889 InChI Key: BRGRZPQESQKATK-UHFFFAOYSA-N Synonym: 2-Acetyl-n-octanoic Acid Ethyl Ester, Ethyl 2-Acetyl-n-octanoate, Hexylacetoacetic Acid Ethyl Ester PubChem CID: 121790 IUPAC Name: ethyl 2-acetyloctanoate SMILES: CCCCCCC(C(=O)C)C(=O)OCC
| PubChem CID | 121790 |
|---|---|
| CAS | 29214-60-6 |
| Molecular Weight (g/mol) | 214.305 |
| MDL Number | MFCD00026889 |
| SMILES | CCCCCCC(C(=O)C)C(=O)OCC |
| Synonym | 2-Acetyl-n-octanoic Acid Ethyl Ester, Ethyl 2-Acetyl-n-octanoate, Hexylacetoacetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-acetyloctanoate |
| InChI Key | BRGRZPQESQKATK-UHFFFAOYSA-N |
| Molecular Formula | C12H22O3 |
(1-Bromovinyl)trimethylsilane 96.0+%, TCI America™
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CAS: 13683-41-5 Molecular Formula: C5H11BrSi Molecular Weight (g/mol): 179.132 MDL Number: MFCD00014927 InChI Key: VVDJVCJVVHHCIB-UHFFFAOYSA-N Synonym: 1-bromovinyl trimethylsilane,1-bromo-1-trimethylsilylethylene,1-bromoethenyl trimethylsilane,1-bromovinyl trimethyl silane,silane, 1-bromoethenyl trimethyl,acmc-1buto,1-bromoethenyl trimethyl silane,alpha-trimethylsilylvinyl bromide,1-bromoethenyl trimethyl-silane PubChem CID: 83660 IUPAC Name: 1-bromoethenyl(trimethyl)silane SMILES: C[Si](C)(C)C(=C)Br
| PubChem CID | 83660 |
|---|---|
| CAS | 13683-41-5 |
| Molecular Weight (g/mol) | 179.132 |
| MDL Number | MFCD00014927 |
| SMILES | C[Si](C)(C)C(=C)Br |
| Synonym | 1-bromovinyl trimethylsilane,1-bromo-1-trimethylsilylethylene,1-bromoethenyl trimethylsilane,1-bromovinyl trimethyl silane,silane, 1-bromoethenyl trimethyl,acmc-1buto,1-bromoethenyl trimethyl silane,alpha-trimethylsilylvinyl bromide,1-bromoethenyl trimethyl-silane |
| IUPAC Name | 1-bromoethenyl(trimethyl)silane |
| InChI Key | VVDJVCJVVHHCIB-UHFFFAOYSA-N |
| Molecular Formula | C5H11BrSi |
2'-Fluoroacetophenone 97.0+%, TCI America™
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CAS: 445-27-2 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.141 MDL Number: MFCD00000320 InChI Key: QMATYTFXDIWACW-UHFFFAOYSA-N Synonym: 2'-fluoroacetophenone,1-2-fluorophenyl ethanone,o-fluoroacetophenone,1-2-fluorophenyl ethan-1-one,1-acetyl-2-fluorobenzene,ethanone, 1-fluorophenyl,2-fluoroacetophenone,2'fluoroacetophenone,2;-fluoroacetophenone PubChem CID: 96744 IUPAC Name: 1-(2-fluorophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1F
| PubChem CID | 96744 |
|---|---|
| CAS | 445-27-2 |
| Molecular Weight (g/mol) | 138.141 |
| MDL Number | MFCD00000320 |
| SMILES | CC(=O)C1=CC=CC=C1F |
| Synonym | 2'-fluoroacetophenone,1-2-fluorophenyl ethanone,o-fluoroacetophenone,1-2-fluorophenyl ethan-1-one,1-acetyl-2-fluorobenzene,ethanone, 1-fluorophenyl,2-fluoroacetophenone,2'fluoroacetophenone,2;-fluoroacetophenone |
| IUPAC Name | 1-(2-fluorophenyl)ethanone |
| InChI Key | QMATYTFXDIWACW-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO |
5-Bromovanillin 95.0+%, TCI America™
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CAS: 2973-76-4 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.05 MDL Number: MFCD00006940 InChI Key: KLSHZDPXXKAHIJ-UHFFFAOYSA-N Synonym: 5-bromovanillin,benzaldehyde, 3-bromo-4-hydroxy-5-methoxy,vanillin, 5-bromo,5-bromo-4-hydroxy-3-methoxybenzaldehyde,3-bromo-4-hydroxy-5-methoxy-benzaldehyde,unii-508wvs56pw,3-bromo-4-hydroxy-5-methyloxy benzaldehyde,5-bromovaniline,5-bromovanilline PubChem CID: 18099 IUPAC Name: 3-bromo-4-hydroxy-5-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(Br)=C1O
| PubChem CID | 18099 |
|---|---|
| CAS | 2973-76-4 |
| Molecular Weight (g/mol) | 231.05 |
| MDL Number | MFCD00006940 |
| SMILES | COC1=CC(C=O)=CC(Br)=C1O |
| Synonym | 5-bromovanillin,benzaldehyde, 3-bromo-4-hydroxy-5-methoxy,vanillin, 5-bromo,5-bromo-4-hydroxy-3-methoxybenzaldehyde,3-bromo-4-hydroxy-5-methoxy-benzaldehyde,unii-508wvs56pw,3-bromo-4-hydroxy-5-methyloxy benzaldehyde,5-bromovaniline,5-bromovanilline |
| IUPAC Name | 3-bromo-4-hydroxy-5-methoxybenzaldehyde |
| InChI Key | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
3',5'-Dichloro-2,2,2-trifluoroacetophenone 96.0+%, TCI America™
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CAS: 130336-16-2 Molecular Formula: C8H3Cl2F3O Molecular Weight (g/mol): 243.006 MDL Number: MFCD01319996 InChI Key: DZDSQRPDUCSOQV-UHFFFAOYSA-N PubChem CID: 2758231 IUPAC Name: 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F
| PubChem CID | 2758231 |
|---|---|
| CAS | 130336-16-2 |
| Molecular Weight (g/mol) | 243.006 |
| MDL Number | MFCD01319996 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F |
| IUPAC Name | 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone |
| InChI Key | DZDSQRPDUCSOQV-UHFFFAOYSA-N |
| Molecular Formula | C8H3Cl2F3O |
3-Formyl-6-isopropylchromone 98.0+%, TCI America™
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CAS: 49619-58-1 Molecular Formula: C13H12O3 Molecular Weight (g/mol): 216.24 MDL Number: MFCD00192183 InChI Key: FRRYMYQANNFABF-UHFFFAOYSA-N Synonym: 6-Isopropyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde, 6-Isopropylchromone-3-carboxaldehyde PubChem CID: 688711 IUPAC Name: 4-oxo-6-(propan-2-yl)-4H-chromene-3-carbaldehyde SMILES: CC(C)C1=CC=C2OC=C(C=O)C(=O)C2=C1
| PubChem CID | 688711 |
|---|---|
| CAS | 49619-58-1 |
| Molecular Weight (g/mol) | 216.24 |
| MDL Number | MFCD00192183 |
| SMILES | CC(C)C1=CC=C2OC=C(C=O)C(=O)C2=C1 |
| Synonym | 6-Isopropyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde, 6-Isopropylchromone-3-carboxaldehyde |
| IUPAC Name | 4-oxo-6-(propan-2-yl)-4H-chromene-3-carbaldehyde |
| InChI Key | FRRYMYQANNFABF-UHFFFAOYSA-N |
| Molecular Formula | C13H12O3 |
Benzal Diacetate 95.0+%, TCI America™
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CAS: 581-55-5 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00059206 InChI Key: XRYSDRCNTMEYFH-UHFFFAOYSA-N Synonym: benzal diacetate,benzylidene diacetate,phenylmethylene diacetate,benzaldiacetate,methanediol, phenyl-, diacetate,benzaldiacetat,m-diacetoxymethylbenzene,diacetic acid benzylidene,phenylmethanediyl diacetate,phenylmethanediol diacetate PubChem CID: 68489 IUPAC Name: [acetyloxy(phenyl)methyl] acetate SMILES: CC(=O)OC(C1=CC=CC=C1)OC(=O)C
| PubChem CID | 68489 |
|---|---|
| CAS | 581-55-5 |
| Molecular Weight (g/mol) | 208.213 |
| MDL Number | MFCD00059206 |
| SMILES | CC(=O)OC(C1=CC=CC=C1)OC(=O)C |
| Synonym | benzal diacetate,benzylidene diacetate,phenylmethylene diacetate,benzaldiacetate,methanediol, phenyl-, diacetate,benzaldiacetat,m-diacetoxymethylbenzene,diacetic acid benzylidene,phenylmethanediyl diacetate,phenylmethanediol diacetate |
| IUPAC Name | [acetyloxy(phenyl)methyl] acetate |
| InChI Key | XRYSDRCNTMEYFH-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |
Shikimic Acid 97.0+%, TCI America™
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CAS: 138-59-0 Molecular Formula: C7H9O5- Molecular Weight (g/mol): 173.144 MDL Number: MFCD00066278 InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonym: shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid PubChem CID: 7057976 ChEBI: CHEBI:36208 IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O
| PubChem CID | 7057976 |
|---|---|
| CAS | 138-59-0 |
| Molecular Weight (g/mol) | 173.144 |
| ChEBI | CHEBI:36208 |
| MDL Number | MFCD00066278 |
| SMILES | C1C(C(C(C=C1C(=O)[O-])O)O)O |
| Synonym | shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid |
| IUPAC Name | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate |
| InChI Key | JXOHGGNKMLTUBP-HSUXUTPPSA-M |
| Molecular Formula | C7H9O5- |
1-(p-Tolyl)ethanol 97.0+%, TCI America™
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CAS: 536-50-5 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00016860 InChI Key: JESIHYIJKKUWIS-UHFFFAOYSA-N Synonym: 1-4-methylphenyl ethanol,1-p-tolyl ethanol,bilagen,galinex,norbilan,tomobil,methyl-p-tolylcarbinol,p-tolylmethylcarbinol,1-4-tolyl ethanol,1-p-tolyl-1-ethanol PubChem CID: 10817 IUPAC Name: 1-(4-methylphenyl)ethanol SMILES: CC1=CC=C(C=C1)C(C)O
| PubChem CID | 10817 |
|---|---|
| CAS | 536-50-5 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00016860 |
| SMILES | CC1=CC=C(C=C1)C(C)O |
| Synonym | 1-4-methylphenyl ethanol,1-p-tolyl ethanol,bilagen,galinex,norbilan,tomobil,methyl-p-tolylcarbinol,p-tolylmethylcarbinol,1-4-tolyl ethanol,1-p-tolyl-1-ethanol |
| IUPAC Name | 1-(4-methylphenyl)ethanol |
| InChI Key | JESIHYIJKKUWIS-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
2-Ethyl-1-butanol 98.0+%, TCI America™
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CAS: 97-95-0 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00004744 InChI Key: TZYRSLHNPKPEFV-UHFFFAOYSA-N Synonym: 2-ethyl-1-butanol,1-butanol, 2-ethyl,2-ethylbutanol,2-ethylbutyl alcohol,pseudohexyl alcohol,3-methylolpentane,2-ethylbutanol-1,ethylbutanol,3-pentylcarbinol,sec-pentylcarbinol PubChem CID: 7358 IUPAC Name: 2-ethylbutan-1-ol SMILES: CCC(CC)CO
| PubChem CID | 7358 |
|---|---|
| CAS | 97-95-0 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00004744 |
| SMILES | CCC(CC)CO |
| Synonym | 2-ethyl-1-butanol,1-butanol, 2-ethyl,2-ethylbutanol,2-ethylbutyl alcohol,pseudohexyl alcohol,3-methylolpentane,2-ethylbutanol-1,ethylbutanol,3-pentylcarbinol,sec-pentylcarbinol |
| IUPAC Name | 2-ethylbutan-1-ol |
| InChI Key | TZYRSLHNPKPEFV-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |