Organooxygen compounds
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Phthalic Acid Bis(2-butoxyethyl) Ester 85.0+%, TCI America™
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CAS: 117-83-9 Molecular Formula: C20H30O6 Molecular Weight (g/mol): 366.454 MDL Number: MFCD00048781 InChI Key: CMCJNODIWQEOAI-UHFFFAOYSA-N Synonym: Bis(2-butoxyethyl) Phthalate PubChem CID: 8345 ChEBI: CHEBI:79937 IUPAC Name: bis(2-butoxyethyl) benzene-1,2-dicarboxylate SMILES: CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC
| PubChem CID | 8345 |
|---|---|
| CAS | 117-83-9 |
| Molecular Weight (g/mol) | 366.454 |
| ChEBI | CHEBI:79937 |
| MDL Number | MFCD00048781 |
| SMILES | CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC |
| Synonym | Bis(2-butoxyethyl) Phthalate |
| IUPAC Name | bis(2-butoxyethyl) benzene-1,2-dicarboxylate |
| InChI Key | CMCJNODIWQEOAI-UHFFFAOYSA-N |
| Molecular Formula | C20H30O6 |
4'-Chloro-3'-(trifluoromethyl)acetophenone 98.0+%, TCI America™
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CAS: 129825-11-2 Molecular Formula: C9H6ClF3O Molecular Weight (g/mol): 222.591 MDL Number: MFCD03094146 InChI Key: UYNMUXTXDHJBEN-UHFFFAOYSA-N Synonym: 4'-chloro-3'-trifluoromethyl acetophenone,4-chloro-3-trifluoromethyl acetophenone,1-4-chloro-3-trifluoromethyl phenyl ethanone,1-4-chloro-3-trifluoromethyl phenyl ethan-1-one,3'-trifluoromethyl-4'-chloroacetophenone,5-acetyl-2-chlorobenzotrifluoride,ethanone,1-4-chloro-3-trifluoromethyl phenyl,ethanone, 1-4-chloro-3-trifluoromethyl phenyl,3-trifluoromethyl-4-chloroacetophenone PubChem CID: 2773851 IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F
| PubChem CID | 2773851 |
|---|---|
| CAS | 129825-11-2 |
| Molecular Weight (g/mol) | 222.591 |
| MDL Number | MFCD03094146 |
| SMILES | CC(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F |
| Synonym | 4'-chloro-3'-trifluoromethyl acetophenone,4-chloro-3-trifluoromethyl acetophenone,1-4-chloro-3-trifluoromethyl phenyl ethanone,1-4-chloro-3-trifluoromethyl phenyl ethan-1-one,3'-trifluoromethyl-4'-chloroacetophenone,5-acetyl-2-chlorobenzotrifluoride,ethanone,1-4-chloro-3-trifluoromethyl phenyl,ethanone, 1-4-chloro-3-trifluoromethyl phenyl,3-trifluoromethyl-4-chloroacetophenone |
| IUPAC Name | 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone |
| InChI Key | UYNMUXTXDHJBEN-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClF3O |
4-Methyl-1-cyclohexanemethanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 34885-03-5 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00152628,MFCD27997499,MFCD31705071 InChI Key: OSINZLLLLCUKJH-UHFFFAOYSA-N Synonym: 1-(Hydroxymethyl)-4-methylcyclohexane PubChem CID: 118193 IUPAC Name: (4-methylcyclohexyl)methanol SMILES: CC1CCC(CO)CC1
| PubChem CID | 118193 |
|---|---|
| CAS | 34885-03-5 |
| Molecular Weight (g/mol) | 128.22 |
| MDL Number | MFCD00152628,MFCD27997499,MFCD31705071 |
| SMILES | CC1CCC(CO)CC1 |
| Synonym | 1-(Hydroxymethyl)-4-methylcyclohexane |
| IUPAC Name | (4-methylcyclohexyl)methanol |
| InChI Key | OSINZLLLLCUKJH-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
8-Chloro-1-n-octanol 97.0+%, TCI America™
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CAS: 23144-52-7 Molecular Formula: C8H17ClO Molecular Weight (g/mol): 164.673 MDL Number: MFCD00040005 InChI Key: YDFAJMDFCCJZSI-UHFFFAOYSA-N Synonym: 8-chloro-1-octanol,1-octanol, 8-chloro,8-chlorooctanol,8-chloro-octan-1-ol,8-chloro-1-n-octanol,8-chlor-1-octanol,8-chlor-octan-1-ol,acmc-1cr4x PubChem CID: 90012 IUPAC Name: 8-chlorooctan-1-ol SMILES: C(CCCCCl)CCCO
| PubChem CID | 90012 |
|---|---|
| CAS | 23144-52-7 |
| Molecular Weight (g/mol) | 164.673 |
| MDL Number | MFCD00040005 |
| SMILES | C(CCCCCl)CCCO |
| Synonym | 8-chloro-1-octanol,1-octanol, 8-chloro,8-chlorooctanol,8-chloro-octan-1-ol,8-chloro-1-n-octanol,8-chlor-1-octanol,8-chlor-octan-1-ol,acmc-1cr4x |
| IUPAC Name | 8-chlorooctan-1-ol |
| InChI Key | YDFAJMDFCCJZSI-UHFFFAOYSA-N |
| Molecular Formula | C8H17ClO |
2-Methoxy-5-methylpyridine 98.0+%, TCI America™
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CAS: 13472-56-5 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD08703669 InChI Key: NFQGQMBFMIIIOR-UHFFFAOYSA-N Synonym: 6-Methoxy-3-picoline PubChem CID: 3014746 IUPAC Name: 2-methoxy-5-methylpyridine SMILES: CC1=CN=C(C=C1)OC
| PubChem CID | 3014746 |
|---|---|
| CAS | 13472-56-5 |
| Molecular Weight (g/mol) | 123.155 |
| MDL Number | MFCD08703669 |
| SMILES | CC1=CN=C(C=C1)OC |
| Synonym | 6-Methoxy-3-picoline |
| IUPAC Name | 2-methoxy-5-methylpyridine |
| InChI Key | NFQGQMBFMIIIOR-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
2-(2-Thienyl)-1,3-dioxolane 97.0+%, TCI America™
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CAS: 58268-08-9 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.199 MDL Number: MFCD01924576 InChI Key: FHPFDCRNWLVVHD-UHFFFAOYSA-N Synonym: 2-(1,3-Dioxolan-2-yl)thiophene PubChem CID: 3653561 IUPAC Name: 2-thiophen-2-yl-1,3-dioxolane SMILES: C1COC(O1)C2=CC=CS2
| PubChem CID | 3653561 |
|---|---|
| CAS | 58268-08-9 |
| Molecular Weight (g/mol) | 156.199 |
| MDL Number | MFCD01924576 |
| SMILES | C1COC(O1)C2=CC=CS2 |
| Synonym | 2-(1,3-Dioxolan-2-yl)thiophene |
| IUPAC Name | 2-thiophen-2-yl-1,3-dioxolane |
| InChI Key | FHPFDCRNWLVVHD-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
2-Sulfobenzaldehyde Sodium Salt 98.0+%, TCI America™
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CAS: 1008-72-6 Molecular Formula: C7H5NaO4S Molecular Weight (g/mol): 208.16 MDL Number: MFCD00007478 InChI Key: ADPUQRRLAAPXGT-UHFFFAOYSA-M Synonym: sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate PubChem CID: 3794540 IUPAC Name: sodium 2-formylbenzene-1-sulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O
| PubChem CID | 3794540 |
|---|---|
| CAS | 1008-72-6 |
| Molecular Weight (g/mol) | 208.16 |
| MDL Number | MFCD00007478 |
| SMILES | [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O |
| Synonym | sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate |
| IUPAC Name | sodium 2-formylbenzene-1-sulfonate |
| InChI Key | ADPUQRRLAAPXGT-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO4S |
3-Ethoxypropylamine 98.0+%, TCI America™
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CAS: 6291-85-6 Molecular Formula: C5H13NO Molecular Weight (g/mol): 103.165 MDL Number: MFCD00008221 InChI Key: SOYBEXQHNURCGE-UHFFFAOYSA-N Synonym: 3-ethoxypropylamine,1-propanamine, 3-ethoxy,3-ethoxy-1-propanamine,3-ethoxy-1-propylamine,propylamine, 3-ethoxy,3-ethoxy-propylamine,3-aminopropyl ethyl ether,3-ethyoxypropylamine,3-ethoxypropyl amine,3-ethyloxy-propylamine PubChem CID: 22720 IUPAC Name: 3-ethoxypropan-1-amine SMILES: CCOCCCN
| PubChem CID | 22720 |
|---|---|
| CAS | 6291-85-6 |
| Molecular Weight (g/mol) | 103.165 |
| MDL Number | MFCD00008221 |
| SMILES | CCOCCCN |
| Synonym | 3-ethoxypropylamine,1-propanamine, 3-ethoxy,3-ethoxy-1-propanamine,3-ethoxy-1-propylamine,propylamine, 3-ethoxy,3-ethoxy-propylamine,3-aminopropyl ethyl ether,3-ethyoxypropylamine,3-ethoxypropyl amine,3-ethyloxy-propylamine |
| IUPAC Name | 3-ethoxypropan-1-amine |
| InChI Key | SOYBEXQHNURCGE-UHFFFAOYSA-N |
| Molecular Formula | C5H13NO |
1,4-Butanediol Bis(3-aminopropyl) Ether 98.0+%, TCI America™
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CAS: 7300-34-7 Molecular Formula: C10H24N2O2 Molecular Weight (g/mol): 204.31 MDL Number: MFCD00009802 InChI Key: YOOSAIJKYCBPFW-UHFFFAOYSA-N Synonym: 1,4-bis 3-aminopropoxy butane,4,9-dioxa-1,12-dodecanediamine,4,9-dioxadodecane-1,12-diamine,1,12-diamino-4,9-dioxadodecane,1,4-butanediol bis 3-aminopropyl ether,3,3'-tetramethylenedioxy bis propylamine,1,4-bis gamma-aminopropoxy butane,alpha,omega-diamino-4,9-dioxadodecane,3,3'-butane-1,4-diylbis oxy bis propan-1-amine,1,4-butanediol bis gamma-aminopropyl ether PubChem CID: 81729 IUPAC Name: 3-[4-(3-aminopropoxy)butoxy]propan-1-amine SMILES: NCCCOCCCCOCCCN
| PubChem CID | 81729 |
|---|---|
| CAS | 7300-34-7 |
| Molecular Weight (g/mol) | 204.31 |
| MDL Number | MFCD00009802 |
| SMILES | NCCCOCCCCOCCCN |
| Synonym | 1,4-bis 3-aminopropoxy butane,4,9-dioxa-1,12-dodecanediamine,4,9-dioxadodecane-1,12-diamine,1,12-diamino-4,9-dioxadodecane,1,4-butanediol bis 3-aminopropyl ether,3,3'-tetramethylenedioxy bis propylamine,1,4-bis gamma-aminopropoxy butane,alpha,omega-diamino-4,9-dioxadodecane,3,3'-butane-1,4-diylbis oxy bis propan-1-amine,1,4-butanediol bis gamma-aminopropyl ether |
| IUPAC Name | 3-[4-(3-aminopropoxy)butoxy]propan-1-amine |
| InChI Key | YOOSAIJKYCBPFW-UHFFFAOYSA-N |
| Molecular Formula | C10H24N2O2 |
3-Methyl-1-phenyl-3-pentanol 98.0+%, TCI America™
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CAS: 10415-87-9 Molecular Formula: C12H18O Molecular Weight (g/mol): 178.275 MDL Number: MFCD00021825 InChI Key: AEJRTNBCFUOSEM-UHFFFAOYSA-N PubChem CID: 61516 IUPAC Name: 3-methyl-1-phenylpentan-3-ol SMILES: CCC(C)(CCC1=CC=CC=C1)O
| PubChem CID | 61516 |
|---|---|
| CAS | 10415-87-9 |
| Molecular Weight (g/mol) | 178.275 |
| MDL Number | MFCD00021825 |
| SMILES | CCC(C)(CCC1=CC=CC=C1)O |
| IUPAC Name | 3-methyl-1-phenylpentan-3-ol |
| InChI Key | AEJRTNBCFUOSEM-UHFFFAOYSA-N |
| Molecular Formula | C12H18O |
Adrenalone Hydrochloride Hydrate 98.0+%, TCI America™
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CAS: 62-13-5 Molecular Formula: C9H12ClNO3 Molecular Weight (g/mol): 217.649 MDL Number: MFCD00035075 InChI Key: CSRRBDMYOUQTCO-UHFFFAOYSA-N Synonym: adrenalone hydrochloride,stryphnonasal,adrenone hydrochloride,adrenalone hcl,kephrine hydrochloride,adrenalonium chloratum,epinephrine ketone hydrochloride,3',4'-dihydroxy-2-methylamino acetophenone hydrochloride,unii-nn82ywe2ic PubChem CID: 66136 IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride SMILES: CNCC(=O)C1=CC(=C(C=C1)O)O.Cl
| PubChem CID | 66136 |
|---|---|
| CAS | 62-13-5 |
| Molecular Weight (g/mol) | 217.649 |
| MDL Number | MFCD00035075 |
| SMILES | CNCC(=O)C1=CC(=C(C=C1)O)O.Cl |
| Synonym | adrenalone hydrochloride,stryphnonasal,adrenone hydrochloride,adrenalone hcl,kephrine hydrochloride,adrenalonium chloratum,epinephrine ketone hydrochloride,3',4'-dihydroxy-2-methylamino acetophenone hydrochloride,unii-nn82ywe2ic |
| IUPAC Name | 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride |
| InChI Key | CSRRBDMYOUQTCO-UHFFFAOYSA-N |
| Molecular Formula | C9H12ClNO3 |
Ethyl Methoxyacetate 98.0+%, TCI America™
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CAS: 3938-96-3 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00009176 InChI Key: JLEKJZUYWFJPMB-UHFFFAOYSA-N Synonym: ethyl methoxyacetate,acetic acid, methoxy-, ethyl ester,2-methoxy ethyl acetate,ethyl-3-oxabutanoate,methoxyacetic acid ethyl ester,methoxy acetic acid ethyl ester,ethyl-metoxyacetate,methylglycol acetate,ethyl methyloxy acetate,acmc-1cofg PubChem CID: 77544 IUPAC Name: ethyl 2-methoxyacetate SMILES: CCOC(=O)COC
| PubChem CID | 77544 |
|---|---|
| CAS | 3938-96-3 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00009176 |
| SMILES | CCOC(=O)COC |
| Synonym | ethyl methoxyacetate,acetic acid, methoxy-, ethyl ester,2-methoxy ethyl acetate,ethyl-3-oxabutanoate,methoxyacetic acid ethyl ester,methoxy acetic acid ethyl ester,ethyl-metoxyacetate,methylglycol acetate,ethyl methyloxy acetate,acmc-1cofg |
| IUPAC Name | ethyl 2-methoxyacetate |
| InChI Key | JLEKJZUYWFJPMB-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
2-Pyrazinemethanol 98.0+%, TCI America™
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CAS: 6705-33-5 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01693938 InChI Key: LFCWHDGQCWJKCG-UHFFFAOYSA-N Synonym: 2-pyrazinylmethanol,pyrazin-2-yl methanol,pyrazinemethanol,2-hydroxymethyl pyrazine,2-pyrazinemethanol,2-hydroxymethylpyrazine,pyrazin-2-yl-methanol,unii-c27z7qi77d,pyrazin-2-ylmethan-1-ol PubChem CID: 201734 IUPAC Name: (pyrazin-2-yl)methanol SMILES: OCC1=CN=CC=N1
| PubChem CID | 201734 |
|---|---|
| CAS | 6705-33-5 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01693938 |
| SMILES | OCC1=CN=CC=N1 |
| Synonym | 2-pyrazinylmethanol,pyrazin-2-yl methanol,pyrazinemethanol,2-hydroxymethyl pyrazine,2-pyrazinemethanol,2-hydroxymethylpyrazine,pyrazin-2-yl-methanol,unii-c27z7qi77d,pyrazin-2-ylmethan-1-ol |
| IUPAC Name | (pyrazin-2-yl)methanol |
| InChI Key | LFCWHDGQCWJKCG-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
Diethyl Acetonylmalonate 95.0+%, TCI America™
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CAS: 23193-18-2 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00177949 InChI Key: KGZCSZOGMMZHKB-UHFFFAOYSA-N Synonym: Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester PubChem CID: 12000252 IUPAC Name: diethyl 2-(2-oxopropyl)propanedioate SMILES: CCOC(=O)C(CC(=O)C)C(=O)OCC
| PubChem CID | 12000252 |
|---|---|
| CAS | 23193-18-2 |
| Molecular Weight (g/mol) | 216.233 |
| MDL Number | MFCD00177949 |
| SMILES | CCOC(=O)C(CC(=O)C)C(=O)OCC |
| Synonym | Acetonylmalonic Acid Diethyl Ester, Diethyl 2-Oxopropylmalonate, 2-Oxopropylmalonic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-(2-oxopropyl)propanedioate |
| InChI Key | KGZCSZOGMMZHKB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5 |
1,1,1-Trichloroacetone 95.0+%, TCI America™
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CAS: 918-00-3 Molecular Formula: C3H3Cl3O Molecular Weight (g/mol): 161.41 MDL Number: MFCD00018829 InChI Key: SMZHKGXSEAGRTI-UHFFFAOYSA-N Synonym: 1,1,1-trichloroacetone,trichloroacetone,1,1,1-trichloropropanone,1,1,1-trichloro-2-propanone,2-propanone, 1,1,1-trichloro,2-propanone, trichloro,unii-nw27zg5lda,ccris 7196,alpha,alpha,alpha-trichloroacetone,nw27zg5lda PubChem CID: 13514 IUPAC Name: 1,1,1-trichloropropan-2-one SMILES: CC(=O)C(Cl)(Cl)Cl
| PubChem CID | 13514 |
|---|---|
| CAS | 918-00-3 |
| Molecular Weight (g/mol) | 161.41 |
| MDL Number | MFCD00018829 |
| SMILES | CC(=O)C(Cl)(Cl)Cl |
| Synonym | 1,1,1-trichloroacetone,trichloroacetone,1,1,1-trichloropropanone,1,1,1-trichloro-2-propanone,2-propanone, 1,1,1-trichloro,2-propanone, trichloro,unii-nw27zg5lda,ccris 7196,alpha,alpha,alpha-trichloroacetone,nw27zg5lda |
| IUPAC Name | 1,1,1-trichloropropan-2-one |
| InChI Key | SMZHKGXSEAGRTI-UHFFFAOYSA-N |
| Molecular Formula | C3H3Cl3O |