Organooxygen compounds
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1-Adamantanol 98.0+%, TCI America™
CAS: 768-95-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00074729 InChI Key: VLLNJDMHDJRNFK-UHFFFAOYSA-N Synonym: 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol PubChem CID: 64152 IUPAC Name: adamantan-1-ol SMILES: C1C2CC3CC1CC(C2)(C3)O
| PubChem CID | 64152 |
|---|---|
| CAS | 768-95-6 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00074729 |
| SMILES | C1C2CC3CC1CC(C2)(C3)O |
| Synonym | 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol |
| IUPAC Name | adamantan-1-ol |
| InChI Key | VLLNJDMHDJRNFK-UHFFFAOYSA-N |
| Molecular Formula | C10H16O |
TAR 99.0+%, TCI America™
CAS: 2246-46-0 Molecular Formula: C9H7N3O2S Molecular Weight (g/mol): 221.23 MDL Number: MFCD00005322 InChI Key: UVQWEDPLIFNWSH-YRNVUSSQSA-N Synonym: 4-2-thiazolylazo resorcinol,1,3-benzenediol, 4-2-thiazolylazo,2-2,4-dihydroxyphenylazo thiazole,4-thiazol-2-ylazo resorcinol,4-thiazol-2-yldiazenyl benzene-1,3-diol,4-2-1,3-thiazol-2-yl diazen-1-yl benzene-1,3-diol,4-e-2-1,3-thiazol-2-yl diazen-1-yl benzene-1,3-diol,shnikuxmzfppcs-vawyxsnfsa-n,4-e-1,3-thiazol-2-yldiazenyl-1,3-benzenediol # PubChem CID: 9571124 IUPAC Name: (4E)-3-hydroxy-4-[2-(1,3-thiazol-2-yl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC(=O)C=C\C1=N/NC1=NC=CS1
| PubChem CID | 9571124 |
|---|---|
| CAS | 2246-46-0 |
| Molecular Weight (g/mol) | 221.23 |
| MDL Number | MFCD00005322 |
| SMILES | OC1=CC(=O)C=C\C1=N/NC1=NC=CS1 |
| Synonym | 4-2-thiazolylazo resorcinol,1,3-benzenediol, 4-2-thiazolylazo,2-2,4-dihydroxyphenylazo thiazole,4-thiazol-2-ylazo resorcinol,4-thiazol-2-yldiazenyl benzene-1,3-diol,4-2-1,3-thiazol-2-yl diazen-1-yl benzene-1,3-diol,4-e-2-1,3-thiazol-2-yl diazen-1-yl benzene-1,3-diol,shnikuxmzfppcs-vawyxsnfsa-n,4-e-1,3-thiazol-2-yldiazenyl-1,3-benzenediol # |
| IUPAC Name | (4E)-3-hydroxy-4-[2-(1,3-thiazol-2-yl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one |
| InChI Key | UVQWEDPLIFNWSH-YRNVUSSQSA-N |
| Molecular Formula | C9H7N3O2S |
Methyl Propyl Ether 95.0+%, TCI America™
CAS: 557-17-5 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00059399 InChI Key: VNKYTQGIUYNRMY-UHFFFAOYSA-N Synonym: 1-Methoxypropane PubChem CID: 11182 IUPAC Name: 1-methoxypropane SMILES: CCCOC
| PubChem CID | 11182 |
|---|---|
| CAS | 557-17-5 |
| Molecular Weight (g/mol) | 74.12 |
| MDL Number | MFCD00059399 |
| SMILES | CCCOC |
| Synonym | 1-Methoxypropane |
| IUPAC Name | 1-methoxypropane |
| InChI Key | VNKYTQGIUYNRMY-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
2-(1-Naphthyl)ethanol 95.0+%, TCI America™
CAS: 773-99-9 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.227 MDL Number: MFCD00004050 InChI Key: RXWNCMHRJCOWDK-UHFFFAOYSA-N Synonym: 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol PubChem CID: 13047 IUPAC Name: 2-naphthalen-1-ylethanol SMILES: C1=CC=C2C(=C1)C=CC=C2CCO
| PubChem CID | 13047 |
|---|---|
| CAS | 773-99-9 |
| Molecular Weight (g/mol) | 172.227 |
| MDL Number | MFCD00004050 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2CCO |
| Synonym | 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol |
| IUPAC Name | 2-naphthalen-1-ylethanol |
| InChI Key | RXWNCMHRJCOWDK-UHFFFAOYSA-N |
| Molecular Formula | C12H12O |
2'-Hydroxy-4',5'-dimethylacetophenone 98.0+%, TCI America™
CAS: 36436-65-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002306 InChI Key: YXVSURZEXVMUAM-UHFFFAOYSA-N PubChem CID: 118976 IUPAC Name: 1-(2-hydroxy-4,5-dimethylphenyl)ethanone SMILES: CC1=C(C=C(C(=C1)C(=O)C)O)C
| PubChem CID | 118976 |
|---|---|
| CAS | 36436-65-4 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00002306 |
| SMILES | CC1=C(C=C(C(=C1)C(=O)C)O)C |
| IUPAC Name | 1-(2-hydroxy-4,5-dimethylphenyl)ethanone |
| InChI Key | YXVSURZEXVMUAM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
3-Methyl-2-oxovaleric Acid 95.0+%, TCI America™
CAS: 1460-34-0 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00002582 InChI Key: JVQYSWDUAOAHFM-UHFFFAOYSA-N Synonym: 3-Methyl-2-oxopentanoic Acid PubChem CID: 47 ChEBI: CHEBI:35932 IUPAC Name: 3-methyl-2-oxopentanoic acid SMILES: CCC(C)C(=O)C(=O)O
| PubChem CID | 47 |
|---|---|
| CAS | 1460-34-0 |
| Molecular Weight (g/mol) | 130.143 |
| ChEBI | CHEBI:35932 |
| MDL Number | MFCD00002582 |
| SMILES | CCC(C)C(=O)C(=O)O |
| Synonym | 3-Methyl-2-oxopentanoic Acid |
| IUPAC Name | 3-methyl-2-oxopentanoic acid |
| InChI Key | JVQYSWDUAOAHFM-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
| PubChem CID | 23546919 |
|---|---|
| CAS | 762262-09-9 |
| MDL Number | MFCD07368877 |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2-methoxypyridin-4-yl)boronic acid |
| InChI Key | DHQMUJSACXTPEA-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
| Formula Weight | 152.94 |
3-Ethoxypropionic Acid 98.0+%, TCI America™
CAS: 4324-38-3 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00058997 InChI Key: JRXXEXVXTFEBIY-UHFFFAOYSA-N Synonym: O-Ethylhydracrylic Acid PubChem CID: 61351 IUPAC Name: 3-ethoxypropanoic acid SMILES: CCOCCC(=O)O
| PubChem CID | 61351 |
|---|---|
| CAS | 4324-38-3 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00058997 |
| SMILES | CCOCCC(=O)O |
| Synonym | O-Ethylhydracrylic Acid |
| IUPAC Name | 3-ethoxypropanoic acid |
| InChI Key | JRXXEXVXTFEBIY-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
Isophthalaldehydic Acid 98.0+%, TCI America™
CAS: 619-21-6 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.133 MDL Number: MFCD00039575 InChI Key: UHDNUPHSDMOGCR-UHFFFAOYSA-N Synonym: 3-carboxybenzaldehyde,benzoic acid, 3-formyl,m-formyl benzoic acid,3-formyl benzoic acid,3-formyl-benzoic acid,unii-hb95grm95d,m-carboxybenzaldehyde,hb95grm95d,3-formylbenzoicacid,isophthalaldehydsaure PubChem CID: 12077 IUPAC Name: 3-formylbenzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C=O
| PubChem CID | 12077 |
|---|---|
| CAS | 619-21-6 |
| Molecular Weight (g/mol) | 150.133 |
| MDL Number | MFCD00039575 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C=O |
| Synonym | 3-carboxybenzaldehyde,benzoic acid, 3-formyl,m-formyl benzoic acid,3-formyl benzoic acid,3-formyl-benzoic acid,unii-hb95grm95d,m-carboxybenzaldehyde,hb95grm95d,3-formylbenzoicacid,isophthalaldehydsaure |
| IUPAC Name | 3-formylbenzoic acid |
| InChI Key | UHDNUPHSDMOGCR-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
Ethyl Isobutyrylacetate 95.0+%, TCI America™
CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C
| PubChem CID | 81583 |
|---|---|
| CAS | 7152-15-0 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00009198 |
| SMILES | CCOC(=O)CC(=O)C(C)C |
| Synonym | ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate |
| IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
| InChI Key | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Diethyl Oxalacetate 95.0+%, TCI America™
CAS: 108-56-5 Molecular Formula: C8H12O5 Molecular Weight (g/mol): 188.179 MDL Number: MFCD00059229 InChI Key: JDXYSCUOABNLIR-UHFFFAOYSA-N Synonym: Ethyl Oxalacetate, Oxalacetic Acid Diethyl Ester PubChem CID: 66951 ChEBI: CHEBI:86608 IUPAC Name: diethyl 2-oxobutanedioate SMILES: CCOC(=O)CC(=O)C(=O)OCC
| PubChem CID | 66951 |
|---|---|
| CAS | 108-56-5 |
| Molecular Weight (g/mol) | 188.179 |
| ChEBI | CHEBI:86608 |
| MDL Number | MFCD00059229 |
| SMILES | CCOC(=O)CC(=O)C(=O)OCC |
| Synonym | Ethyl Oxalacetate, Oxalacetic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-oxobutanedioate |
| InChI Key | JDXYSCUOABNLIR-UHFFFAOYSA-N |
| Molecular Formula | C8H12O5 |
2'-Chloro-4'-nitroacetophenone 98.0+%, TCI America™
CAS: 67818-41-1 Molecular Formula: C8H6ClNO3 Molecular Weight (g/mol): 199.59 MDL Number: MFCD00017340 InChI Key: BRFBJVQQCATLSZ-UHFFFAOYSA-N PubChem CID: 314302 IUPAC Name: 1-(2-chloro-4-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
| PubChem CID | 314302 |
|---|---|
| CAS | 67818-41-1 |
| Molecular Weight (g/mol) | 199.59 |
| MDL Number | MFCD00017340 |
| SMILES | CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O |
| IUPAC Name | 1-(2-chloro-4-nitrophenyl)ethan-1-one |
| InChI Key | BRFBJVQQCATLSZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO3 |
Benzyl 4-Hydroxyphenyl Ketone 98.0+%, TCI America™
CAS: 2491-32-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00002360 InChI Key: JBQTZLNCDIFCCO-UHFFFAOYSA-N Synonym: benzyl 4-hydroxyphenyl ketone,1-4-hydroxyphenyl-2-phenylethanone,4-hydroxydeoxybenzoin,acetophenone, 4'-hydroxy-2-phenyl,1-4-hydroxyphenyl-2-phenylethan-1-one,ethanone, 1-4-hydroxyphenyl-2-phenyl,acmc-20alpm,4-hydroxydesoxybenzoin,p-phenylacetyl phenol,maybridge3_000426 PubChem CID: 75607 IUPAC Name: 1-(4-hydroxyphenyl)-2-phenylethanone SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O
| PubChem CID | 75607 |
|---|---|
| CAS | 2491-32-9 |
| Molecular Weight (g/mol) | 212.248 |
| MDL Number | MFCD00002360 |
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O |
| Synonym | benzyl 4-hydroxyphenyl ketone,1-4-hydroxyphenyl-2-phenylethanone,4-hydroxydeoxybenzoin,acetophenone, 4'-hydroxy-2-phenyl,1-4-hydroxyphenyl-2-phenylethan-1-one,ethanone, 1-4-hydroxyphenyl-2-phenyl,acmc-20alpm,4-hydroxydesoxybenzoin,p-phenylacetyl phenol,maybridge3_000426 |
| IUPAC Name | 1-(4-hydroxyphenyl)-2-phenylethanone |
| InChI Key | JBQTZLNCDIFCCO-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
7-Methoxy-1-naphthaleneacetic Acid 98.0+%, TCI America™
CAS: 6836-22-2 Molecular Formula: C13H12O3 Molecular Weight (g/mol): 216.236 MDL Number: MFCD12756806 InChI Key: GJPYHKXILUFWKV-UHFFFAOYSA-N Synonym: (7-Methoxy-1-naphthyl)acetic Acid PubChem CID: 13570105 IUPAC Name: 2-(7-methoxynaphthalen-1-yl)acetic acid SMILES: COC1=CC2=C(C=CC=C2CC(=O)O)C=C1
| PubChem CID | 13570105 |
|---|---|
| CAS | 6836-22-2 |
| Molecular Weight (g/mol) | 216.236 |
| MDL Number | MFCD12756806 |
| SMILES | COC1=CC2=C(C=CC=C2CC(=O)O)C=C1 |
| Synonym | (7-Methoxy-1-naphthyl)acetic Acid |
| IUPAC Name | 2-(7-methoxynaphthalen-1-yl)acetic acid |
| InChI Key | GJPYHKXILUFWKV-UHFFFAOYSA-N |
| Molecular Formula | C13H12O3 |
3-Methyl-1,5-pentanediol 97.0+%, TCI America™
CAS: 4457-71-0 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00039547 InChI Key: SXFJDZNJHVPHPH-UHFFFAOYSA-N PubChem CID: 20524 IUPAC Name: 3-methylpentane-1,5-diol SMILES: CC(CCO)CCO
| PubChem CID | 20524 |
|---|---|
| CAS | 4457-71-0 |
| Molecular Weight (g/mol) | 118.176 |
| MDL Number | MFCD00039547 |
| SMILES | CC(CCO)CCO |
| IUPAC Name | 3-methylpentane-1,5-diol |
| InChI Key | SXFJDZNJHVPHPH-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |