Organooxygen compounds
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Diethyl Butylmalonate 99.0+%, TCI America™
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CAS: 133-08-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00009170 InChI Key: RPNFNBGRHCUORR-UHFFFAOYSA-N Synonym: diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester PubChem CID: 67244 IUPAC Name: 1,3-diethyl 2-butylpropanedioate SMILES: CCCCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 67244 |
|---|---|
| CAS | 133-08-4 |
| Molecular Weight (g/mol) | 216.28 |
| MDL Number | MFCD00009170 |
| SMILES | CCCCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester |
| IUPAC Name | 1,3-diethyl 2-butylpropanedioate |
| InChI Key | RPNFNBGRHCUORR-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone 98.0+%, TCI America™
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CAS: 756-13-8 Molecular Formula: C6F12O Molecular Weight (g/mol): 316.05 MDL Number: MFCD04038343 InChI Key: RMLFHPWPTXWZNJ-UHFFFAOYSA-N Synonym: Perfluoroethyl Perfluoroisopropyl Ketone PubChem CID: 2782408 IUPAC Name: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one SMILES: FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F
| PubChem CID | 2782408 |
|---|---|
| CAS | 756-13-8 |
| Molecular Weight (g/mol) | 316.05 |
| MDL Number | MFCD04038343 |
| SMILES | FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F |
| Synonym | Perfluoroethyl Perfluoroisopropyl Ketone |
| IUPAC Name | 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one |
| InChI Key | RMLFHPWPTXWZNJ-UHFFFAOYSA-N |
| Molecular Formula | C6F12O |
4'-Hydroxyhexanophenone 99.0+%, TCI America™
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CAS: 2589-72-2 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00671540 InChI Key: YDGNMJZDWLQUTE-UHFFFAOYSA-N PubChem CID: 345110 IUPAC Name: 1-(4-hydroxyphenyl)hexan-1-one SMILES: CCCCCC(=O)C1=CC=C(C=C1)O
| PubChem CID | 345110 |
|---|---|
| CAS | 2589-72-2 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00671540 |
| SMILES | CCCCCC(=O)C1=CC=C(C=C1)O |
| IUPAC Name | 1-(4-hydroxyphenyl)hexan-1-one |
| InChI Key | YDGNMJZDWLQUTE-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
3,4-Dimethyl-3-hexanol 99.0+%, TCI America™
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CAS: 19550-08-4 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00021820 InChI Key: FJXOYCIYKQJAAF-UHFFFAOYSA-N PubChem CID: 140548 IUPAC Name: 3,4-dimethylhexan-3-ol SMILES: CCC(C)C(C)(CC)O
| PubChem CID | 140548 |
|---|---|
| CAS | 19550-08-4 |
| Molecular Weight (g/mol) | 130.231 |
| MDL Number | MFCD00021820 |
| SMILES | CCC(C)C(C)(CC)O |
| IUPAC Name | 3,4-dimethylhexan-3-ol |
| InChI Key | FJXOYCIYKQJAAF-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
3,3'-Diethylthiatricarbocyanine Iodide 98.0+%, TCI America™
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CAS: 3071-70-3 Molecular Formula: C25H25IN2S2 Molecular Weight (g/mol): 544.51 MDL Number: MFCD00041994,MFCD00041994 InChI Key: OYVFJKVYVDYPFV-UHFFFAOYSA-M Synonym: disc2 7,3,3'-diethylthiatricarbocyanine iodide,3-ethyl-2-7-3-ethyl-2 3h-benzothiazolylidene-1,3,5-heptatrienyl benzothiazolium iodide PubChem CID: 91972095 IUPAC Name: 3-ethyl-2-[(5E)-7-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium iodide SMILES: [I-].CCN1\C(SC2=CC=CC=C12)=C\C=C\C=CC=CC1=[N+](CC)C2=CC=CC=C2S1
| PubChem CID | 91972095 |
|---|---|
| CAS | 3071-70-3 |
| Molecular Weight (g/mol) | 544.51 |
| MDL Number | MFCD00041994,MFCD00041994 |
| SMILES | [I-].CCN1\C(SC2=CC=CC=C12)=C\C=C\C=CC=CC1=[N+](CC)C2=CC=CC=C2S1 |
| Synonym | disc2 7,3,3'-diethylthiatricarbocyanine iodide,3-ethyl-2-7-3-ethyl-2 3h-benzothiazolylidene-1,3,5-heptatrienyl benzothiazolium iodide |
| IUPAC Name | 3-ethyl-2-[(5E)-7-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,3-benzothiazol-3-ium iodide |
| InChI Key | OYVFJKVYVDYPFV-UHFFFAOYSA-M |
| Molecular Formula | C25H25IN2S2 |
Benzyl Phenyl Ketone 98.0+%, TCI America™
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CAS: 451-40-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00003081 InChI Key: OTKCEEWUXHVZQI-UHFFFAOYSA-N Synonym: 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin PubChem CID: 9948 IUPAC Name: 1,2-diphenylethan-1-one SMILES: O=C(CC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 9948 |
|---|---|
| CAS | 451-40-1 |
| Molecular Weight (g/mol) | 196.25 |
| MDL Number | MFCD00003081 |
| SMILES | O=C(CC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin |
| IUPAC Name | 1,2-diphenylethan-1-one |
| InChI Key | OTKCEEWUXHVZQI-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
Bis(2-chloroethyl) Ether 99.0+%, TCI America™
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CAS: 111-44-4 Molecular Formula: C4H8Cl2O Molecular Weight (g/mol): 143.01 MDL Number: MFCD00000975 InChI Key: ZNSMNVMLTJELDZ-UHFFFAOYSA-N Synonym: 2-chloroethyl ether,2,2'-dichlorodiethyl ether,bis 2-chloroethyl ether,chlorex,chloroethyl ether,dcee,dichloroether,khloreks,dichloroethyl ether PubChem CID: 8115 ChEBI: CHEBI:34573 IUPAC Name: 1-chloro-2-(2-chloroethoxy)ethane SMILES: ClCCOCCCl
| PubChem CID | 8115 |
|---|---|
| CAS | 111-44-4 |
| Molecular Weight (g/mol) | 143.01 |
| ChEBI | CHEBI:34573 |
| MDL Number | MFCD00000975 |
| SMILES | ClCCOCCCl |
| Synonym | 2-chloroethyl ether,2,2'-dichlorodiethyl ether,bis 2-chloroethyl ether,chlorex,chloroethyl ether,dcee,dichloroether,khloreks,dichloroethyl ether |
| IUPAC Name | 1-chloro-2-(2-chloroethoxy)ethane |
| InChI Key | ZNSMNVMLTJELDZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8Cl2O |
Phenacyl Bromide 98.0+%, TCI America™
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CAS: 70-11-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD00000195 InChI Key: LIGACIXOYTUXAW-UHFFFAOYSA-N Synonym: 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo PubChem CID: 6259 ChEBI: CHEBI:51846 IUPAC Name: 2-bromo-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 6259 |
|---|---|
| CAS | 70-11-1 |
| Molecular Weight (g/mol) | 199.047 |
| ChEBI | CHEBI:51846 |
| MDL Number | MFCD00000195 |
| SMILES | C1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo |
| IUPAC Name | 2-bromo-1-phenylethanone |
| InChI Key | LIGACIXOYTUXAW-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
(R)-4-Amino-2-methyl-1-butanol 98.0+%, TCI America™
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CAS: 88390-32-3 Molecular Formula: C5H13NO Molecular Weight (g/mol): 103.165 MDL Number: MFCD03093614 InChI Key: DUAXLVGFFDFSAG-RXMQYKEDSA-N PubChem CID: 11457670 IUPAC Name: (2R)-4-amino-2-methylbutan-1-ol SMILES: CC(CCN)CO
| PubChem CID | 11457670 |
|---|---|
| CAS | 88390-32-3 |
| Molecular Weight (g/mol) | 103.165 |
| MDL Number | MFCD03093614 |
| SMILES | CC(CCN)CO |
| IUPAC Name | (2R)-4-amino-2-methylbutan-1-ol |
| InChI Key | DUAXLVGFFDFSAG-RXMQYKEDSA-N |
| Molecular Formula | C5H13NO |
Poly(ethylene Glycol Succinate), TCI America™
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CAS: 25569-53-3 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00084421 InChI Key: VJVOPINBJQWMNY-UHFFFAOYSA-N Synonym: Ethylene Glycol Succinate Polyester, Succinate Ethylene Glycol Polyester PubChem CID: 33099 IUPAC Name: butanedioic acid;ethane-1,2-diol SMILES: C(CC(=O)O)C(=O)O.C(CO)O
| PubChem CID | 33099 |
|---|---|
| CAS | 25569-53-3 |
| Molecular Weight (g/mol) | 180.156 |
| MDL Number | MFCD00084421 |
| SMILES | C(CC(=O)O)C(=O)O.C(CO)O |
| Synonym | Ethylene Glycol Succinate Polyester, Succinate Ethylene Glycol Polyester |
| IUPAC Name | butanedioic acid;ethane-1,2-diol |
| InChI Key | VJVOPINBJQWMNY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
3-(2-Hydroxyethoxy)benzaldehyde 96.0+%, TCI America™
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CAS: 60345-97-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00191448 InChI Key: LIUCHRXQRHVSJI-UHFFFAOYSA-N PubChem CID: 6453965 IUPAC Name: 3-(2-hydroxyethoxy)benzaldehyde SMILES: OCCOC1=CC=CC(C=O)=C1
| PubChem CID | 6453965 |
|---|---|
| CAS | 60345-97-3 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00191448 |
| SMILES | OCCOC1=CC=CC(C=O)=C1 |
| IUPAC Name | 3-(2-hydroxyethoxy)benzaldehyde |
| InChI Key | LIUCHRXQRHVSJI-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Dodecylhexadecan-1-ol 93.0+%, TCI America™
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CAS: 72388-18-2 Molecular Formula: C28H58O Molecular Weight (g/mol): 410.77 MDL Number: MFCD27665210 InChI Key: DEMBLPGWNXUBIQ-UHFFFAOYNA-N Synonym: 2-Dodecylhexadecyl Alcohol PubChem CID: 3018340 IUPAC Name: 2-dodecylhexadecan-1-ol SMILES: CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC
| PubChem CID | 3018340 |
|---|---|
| CAS | 72388-18-2 |
| Molecular Weight (g/mol) | 410.77 |
| MDL Number | MFCD27665210 |
| SMILES | CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC |
| Synonym | 2-Dodecylhexadecyl Alcohol |
| IUPAC Name | 2-dodecylhexadecan-1-ol |
| InChI Key | DEMBLPGWNXUBIQ-UHFFFAOYNA-N |
| Molecular Formula | C28H58O |
5-Iodo-2-methoxypyridine 98.0+%, TCI America™
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CAS: 13472-61-2 Molecular Formula: C6H6INO Molecular Weight (g/mol): 235.024 MDL Number: MFCD07781180 InChI Key: NTXRNCUPGYOZCN-UHFFFAOYSA-N PubChem CID: 23423786 IUPAC Name: 5-iodo-2-methoxypyridine SMILES: COC1=NC=C(C=C1)I
| PubChem CID | 23423786 |
|---|---|
| CAS | 13472-61-2 |
| Molecular Weight (g/mol) | 235.024 |
| MDL Number | MFCD07781180 |
| SMILES | COC1=NC=C(C=C1)I |
| IUPAC Name | 5-iodo-2-methoxypyridine |
| InChI Key | NTXRNCUPGYOZCN-UHFFFAOYSA-N |
| Molecular Formula | C6H6INO |
Jervine 97.0+%, TCI America™
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CAS: 469-59-0 Molecular Formula: C27H39NO3 Molecular Weight (g/mol): 425.61 MDL Number: MFCD01684066 InChI Key: CLEXYFLHGFJONT-UHFFFAOYNA-N Synonym: jervine,iervin,jerwiny polish,11-ketocyclopamine,unii-19v3ecx465,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3beta,23beta,17,23beta-epoxy-3beta-hydroxyveratraman-11-one,spiro 9h-benzo a fluorene-9,2' 3'h-furo 3,2-b-pyridin-11 1h-one, 2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10, 11b-tetramethyl,jerwiny,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3-beta,23-beta PubChem CID: 10098 ChEBI: CHEBI:6088 IUPAC Name: 3-hydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-11-one SMILES: CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)C2=C1C
| PubChem CID | 10098 |
|---|---|
| CAS | 469-59-0 |
| Molecular Weight (g/mol) | 425.61 |
| ChEBI | CHEBI:6088 |
| MDL Number | MFCD01684066 |
| SMILES | CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)C2=C1C |
| Synonym | jervine,iervin,jerwiny polish,11-ketocyclopamine,unii-19v3ecx465,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3beta,23beta,17,23beta-epoxy-3beta-hydroxyveratraman-11-one,spiro 9h-benzo a fluorene-9,2' 3'h-furo 3,2-b-pyridin-11 1h-one, 2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10, 11b-tetramethyl,jerwiny,veratraman-11-one, 17,23-epoxy-3-hydroxy-, 3-beta,23-beta |
| IUPAC Name | 3-hydroxy-3',6',10,11b-tetramethyl-1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3'H-spiro[cyclohexa[a]fluorene-9,2'-furo[3,2-b]pyridin]-11-one |
| InChI Key | CLEXYFLHGFJONT-UHFFFAOYNA-N |
| Molecular Formula | C27H39NO3 |
4-Benzoylbutyric Acid 96.0+%, TCI America™
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CAS: 1501-05-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00004411 InChI Key: SHKWSBAVRQZYLE-UHFFFAOYSA-N Synonym: 4-benzoylbutyric acid,5-oxo-5-phenylvaleric acid,benzenepentanoic acid, .delta.-oxo,4-benzoyl-butyric acid,timtec-bb sbb007811,5-oxo-5-phenyl-pentanoic acid,4-benzoylbutyric acid;4-benzoylbutanoic acid,butanoic acid, 4-benzoyl,4-benzoylbutyricacid PubChem CID: 73914 IUPAC Name: 5-oxo-5-phenylpentanoic acid SMILES: C1=CC=C(C=C1)C(=O)CCCC(=O)O
| PubChem CID | 73914 |
|---|---|
| CAS | 1501-05-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00004411 |
| SMILES | C1=CC=C(C=C1)C(=O)CCCC(=O)O |
| Synonym | 4-benzoylbutyric acid,5-oxo-5-phenylvaleric acid,benzenepentanoic acid, .delta.-oxo,4-benzoyl-butyric acid,timtec-bb sbb007811,5-oxo-5-phenyl-pentanoic acid,4-benzoylbutyric acid;4-benzoylbutanoic acid,butanoic acid, 4-benzoyl,4-benzoylbutyricacid |
| IUPAC Name | 5-oxo-5-phenylpentanoic acid |
| InChI Key | SHKWSBAVRQZYLE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |