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Organooxygen compounds

Organic compounds that contain one or more oxygen atoms.
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1

4,4,5,5,5-Pentafluoropentan-1-ol, 95%

CAS: 148043-73-6 Molecular Formula: C5H7F5O Molecular Weight (g/mol): 178.1 InChI Key: QROUUECTKRZFHF-UHFFFAOYSA-N Synonym: 4,4,5,5,5-pentafluoro-1-pentanol,4,4,5,5,5-pentafluoropentanol,pentafluoropentanol,1-pentanol, 4,4,5,5,5-pentafluoro,fulvestrant intermediate,acmc-1bz8x,3-perfluoroethyl propan-1-ol,4,4,5,5,5-pentafluoro pentanol,4,4,5,5,5-pentafluoro-pentanol,4,4,5,5,5-pentafluorpentan-1-ol PubChem CID: 547967 IUPAC Name: 4,4,5,5,5-pentafluoropentan-1-ol SMILES: C(CC(C(F)(F)F)(F)F)CO

PubChem CID 547967
CAS 148043-73-6
Molecular Weight (g/mol) 178.1
SMILES C(CC(C(F)(F)F)(F)F)CO
Synonym 4,4,5,5,5-pentafluoro-1-pentanol,4,4,5,5,5-pentafluoropentanol,pentafluoropentanol,1-pentanol, 4,4,5,5,5-pentafluoro,fulvestrant intermediate,acmc-1bz8x,3-perfluoroethyl propan-1-ol,4,4,5,5,5-pentafluoro pentanol,4,4,5,5,5-pentafluoro-pentanol,4,4,5,5,5-pentafluorpentan-1-ol
IUPAC Name 4,4,5,5,5-pentafluoropentan-1-ol
InChI Key QROUUECTKRZFHF-UHFFFAOYSA-N
Molecular Formula C5H7F5O
2

Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans, 97%

CAS: 17159-80-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00192156,MFCD16295187 InChI Key: BZKQJSLASWRDNE-UHFFFAOYSA-N Synonym: ethyl 4-hydroxycyclohexanecarboxylate,trans-ethyl 4-hydroxycyclohexanecarboxylate,ethyl trans-4-hydroxycyclohexanecarboxylate,4-hydroxy-cyclohexanecarboxylic acid ethyl ester,ethyl 4-hydroxycyclohexane carboxylate,cis-ethyl 4-hydroxycyclohexanecarboxylate,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester,4-hydroxycyclohexanecarboxylic acid ethyl ester,trans-4-hydroxycyclohexanecarboxylic acid ethyl ester,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis PubChem CID: 86973 IUPAC Name: ethyl 4-hydroxycyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCC(O)CC1

PubChem CID 86973
CAS 17159-80-7
Molecular Weight (g/mol) 172.22
MDL Number MFCD00192156,MFCD16295187
SMILES CCOC(=O)C1CCC(O)CC1
Synonym ethyl 4-hydroxycyclohexanecarboxylate,trans-ethyl 4-hydroxycyclohexanecarboxylate,ethyl trans-4-hydroxycyclohexanecarboxylate,4-hydroxy-cyclohexanecarboxylic acid ethyl ester,ethyl 4-hydroxycyclohexane carboxylate,cis-ethyl 4-hydroxycyclohexanecarboxylate,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester,4-hydroxycyclohexanecarboxylic acid ethyl ester,trans-4-hydroxycyclohexanecarboxylic acid ethyl ester,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis
IUPAC Name ethyl 4-hydroxycyclohexane-1-carboxylate
InChI Key BZKQJSLASWRDNE-UHFFFAOYSA-N
Molecular Formula C9H16O3
3

3',5'-Dichloro-2'-hydroxyacetophenone, 99%

CAS: 3321-92-4 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00016417 InChI Key: CJFYGRLJDKWMDI-UHFFFAOYSA-N Synonym: 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol PubChem CID: 520608 IUPAC Name: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)Cl)Cl

PubChem CID 520608
CAS 3321-92-4
Molecular Weight (g/mol) 205.034
MDL Number MFCD00016417
SMILES CC(=O)C1=CC(=CC(=C1O)Cl)Cl
Synonym 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol
IUPAC Name 1-(3,5-dichloro-2-hydroxyphenyl)ethanone
InChI Key CJFYGRLJDKWMDI-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O2
4

4-Penten-1-ol, 98+%

CAS: 821-09-0 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00002975 InChI Key: LQAVWYMTUMSFBE-UHFFFAOYSA-N Synonym: 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene PubChem CID: 13181 IUPAC Name: pent-4-en-1-ol SMILES: C=CCCCO

PubChem CID 13181
CAS 821-09-0
Molecular Weight (g/mol) 86.134
MDL Number MFCD00002975
SMILES C=CCCCO
Synonym 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene
IUPAC Name pent-4-en-1-ol
InChI Key LQAVWYMTUMSFBE-UHFFFAOYSA-N
Molecular Formula C5H10O
5

tert-Butyl ethyl ether, 99%

CAS: 637-92-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00009225 InChI Key: NUMQCACRALPSHD-UHFFFAOYSA-N Synonym: tert-butyl ethyl ether,ethyl tert-butyl ether,etbe,propane, 2-ethoxy-2-methyl,ethyl tert-butyl oxide,ether, tert-butyl ethyl,2-methyl-2-ethoxypropane,ethyl t-butyl ether,tert-butylethylether,methyl-2-ethoxypropane PubChem CID: 12512 IUPAC Name: 2-ethoxy-2-methylpropane SMILES: CCOC(C)(C)C

PubChem CID 12512
CAS 637-92-3
Molecular Weight (g/mol) 102.18
MDL Number MFCD00009225
SMILES CCOC(C)(C)C
Synonym tert-butyl ethyl ether,ethyl tert-butyl ether,etbe,propane, 2-ethoxy-2-methyl,ethyl tert-butyl oxide,ether, tert-butyl ethyl,2-methyl-2-ethoxypropane,ethyl t-butyl ether,tert-butylethylether,methyl-2-ethoxypropane
IUPAC Name 2-ethoxy-2-methylpropane
InChI Key NUMQCACRALPSHD-UHFFFAOYSA-N
Molecular Formula C6H14O
6

Bis(heptafluoroisopropyl)ketone, 97%

CAS: 813-44-5 Molecular Formula: C7F14O Molecular Weight (g/mol): 366.054 MDL Number: MFCD00042087 InChI Key: GRVMOMUDALILLH-UHFFFAOYSA-N Synonym: bis perfluoroisopropyl ketone,1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl pentan-3-one,bis perfluorisopropyl ketone,bis heptafluoroisopropyl ketone,3-pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl,perfluoroisopropyl ketone,bis heptafluoroisopropyl methanone,cf3 2cfc o cf cf3 2,3-hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-trifluoromethyl,tert-butyl 2-oxo-1-pyrrolidinecarboxylat PubChem CID: 69941 IUPAC Name: 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one SMILES: C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F

PubChem CID 69941
CAS 813-44-5
Molecular Weight (g/mol) 366.054
MDL Number MFCD00042087
SMILES C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F
Synonym bis perfluoroisopropyl ketone,1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl pentan-3-one,bis perfluorisopropyl ketone,bis heptafluoroisopropyl ketone,3-pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl,perfluoroisopropyl ketone,bis heptafluoroisopropyl methanone,cf3 2cfc o cf cf3 2,3-hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-trifluoromethyl,tert-butyl 2-oxo-1-pyrrolidinecarboxylat
IUPAC Name 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one
InChI Key GRVMOMUDALILLH-UHFFFAOYSA-N
Molecular Formula C7F14O
7

2-Bromo-3'-(trifluoromethyl)acetophenone, 98%

CAS: 2003-10-3 Molecular Formula: C9H6BrF3O Molecular Weight (g/mol): 267.05 MDL Number: MFCD03094283 InChI Key: TZIYNLSEBAYCBZ-UHFFFAOYSA-N

CAS 2003-10-3
Molecular Weight (g/mol) 267.05
MDL Number MFCD03094283
InChI Key TZIYNLSEBAYCBZ-UHFFFAOYSA-N
Molecular Formula C9H6BrF3O
8

2-(2-Hydroxyethoxy)benzaldehyde 96.0+%, TCI America™

CAS: 22042-72-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00191449 InChI Key: WGHPWLUYIPUQOJ-UHFFFAOYSA-N PubChem CID: 93989 IUPAC Name: 2-(2-hydroxyethoxy)benzaldehyde SMILES: OCCOC1=CC=CC=C1C=O

PubChem CID 93989
CAS 22042-72-4
Molecular Weight (g/mol) 166.18
MDL Number MFCD00191449
SMILES OCCOC1=CC=CC=C1C=O
IUPAC Name 2-(2-hydroxyethoxy)benzaldehyde
InChI Key WGHPWLUYIPUQOJ-UHFFFAOYSA-N
Molecular Formula C9H10O3
9

3',5'-Dichloro-2'-hydroxyacetophenone 98.0+%, TCI America™

CAS: 3321-92-4 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00016417 InChI Key: CJFYGRLJDKWMDI-UHFFFAOYSA-N Synonym: 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol PubChem CID: 520608 IUPAC Name: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)Cl)Cl

PubChem CID 520608
CAS 3321-92-4
Molecular Weight (g/mol) 205.034
MDL Number MFCD00016417
SMILES CC(=O)C1=CC(=CC(=C1O)Cl)Cl
Synonym 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol
IUPAC Name 1-(3,5-dichloro-2-hydroxyphenyl)ethanone
InChI Key CJFYGRLJDKWMDI-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O2
10

4-Bromo-2-methyl-1-indanone 98.0+%, TCI America™

CAS: 174702-59-1 Molecular Formula: C10H9BrO Molecular Weight (g/mol): 225.085 MDL Number: MFCD09881709 InChI Key: AHMJTIYXKJRVFF-UHFFFAOYSA-N PubChem CID: 10537152 IUPAC Name: 4-bromo-2-methyl-2,3-dihydroinden-1-one SMILES: CC1CC2=C(C1=O)C=CC=C2Br

PubChem CID 10537152
CAS 174702-59-1
Molecular Weight (g/mol) 225.085
MDL Number MFCD09881709
SMILES CC1CC2=C(C1=O)C=CC=C2Br
IUPAC Name 4-bromo-2-methyl-2,3-dihydroinden-1-one
InChI Key AHMJTIYXKJRVFF-UHFFFAOYSA-N
Molecular Formula C10H9BrO
11

2,3-Thiophenedicarboxaldehyde 98.0+%, TCI America™

CAS: 932-41-2 Molecular Formula: C6H4O2S Molecular Weight (g/mol): 140.156 MDL Number: MFCD00209616 InChI Key: WSEJZRIZDQWMKQ-UHFFFAOYSA-N PubChem CID: 573752 IUPAC Name: thiophene-2,3-dicarbaldehyde SMILES: C1=CSC(=C1C=O)C=O

PubChem CID 573752
CAS 932-41-2
Molecular Weight (g/mol) 140.156
MDL Number MFCD00209616
SMILES C1=CSC(=C1C=O)C=O
IUPAC Name thiophene-2,3-dicarbaldehyde
InChI Key WSEJZRIZDQWMKQ-UHFFFAOYSA-N
Molecular Formula C6H4O2S
12

2,2-Diethoxyacetophenone, 96%

CAS: 6175-45-7 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00009659 InChI Key: PIZHFBODNLEQBL-UHFFFAOYSA-N Synonym: 2,2-diethoxyacetophenone,ethanone, 2,2-diethoxy-1-phenyl,phenylglyoxal diethyl acetal,2,2-diethoxy-1-phenylethan-1-one,alpha,alpha-diethoxyacetophenone,unii-w4bcz1mak3,2,2-diethoxy acetophenone,ccris 5222,benzoylformaldehyde diethyl acetal,glyoxal, phenyl-, 2-diethyl acetal PubChem CID: 22555 IUPAC Name: 2,2-diethoxy-1-phenylethanone SMILES: CCOC(OCC)C(=O)C1=CC=CC=C1

PubChem CID 22555
CAS 6175-45-7
Molecular Weight (g/mol) 208.26
MDL Number MFCD00009659
SMILES CCOC(OCC)C(=O)C1=CC=CC=C1
Synonym 2,2-diethoxyacetophenone,ethanone, 2,2-diethoxy-1-phenyl,phenylglyoxal diethyl acetal,2,2-diethoxy-1-phenylethan-1-one,alpha,alpha-diethoxyacetophenone,unii-w4bcz1mak3,2,2-diethoxy acetophenone,ccris 5222,benzoylformaldehyde diethyl acetal,glyoxal, phenyl-, 2-diethyl acetal
IUPAC Name 2,2-diethoxy-1-phenylethanone
InChI Key PIZHFBODNLEQBL-UHFFFAOYSA-N
Molecular Formula C12H16O3
13

2-Methyl-5-propionylfuran 98.0+%, TCI America™

CAS: 10599-69-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00053142 InChI Key: BXLPZYAVKVFXEO-UHFFFAOYSA-N Synonym: 2-methyl-5-propionylfuran,1-5-methylfuran-2-yl propan-1-one,5-methyl-2-propionylfuran,2-methyl-5-propionyl-furan,1-5-methyl-2-furyl propan-1-one,1-propanone,1-5-methyl-2-furanyl,1-propanone, 1-5-methyl-2-furanyl,2-methyl-5-propanylfuran,furan, 2-methyl-5-propionyl,furan, 5-methyl-2-propionyl PubChem CID: 82757 IUPAC Name: 1-(5-methylfuran-2-yl)propan-1-one SMILES: CCC(=O)C1=CC=C(C)O1

PubChem CID 82757
CAS 10599-69-6
Molecular Weight (g/mol) 138.17
MDL Number MFCD00053142
SMILES CCC(=O)C1=CC=C(C)O1
Synonym 2-methyl-5-propionylfuran,1-5-methylfuran-2-yl propan-1-one,5-methyl-2-propionylfuran,2-methyl-5-propionyl-furan,1-5-methyl-2-furyl propan-1-one,1-propanone,1-5-methyl-2-furanyl,1-propanone, 1-5-methyl-2-furanyl,2-methyl-5-propanylfuran,furan, 2-methyl-5-propionyl,furan, 5-methyl-2-propionyl
IUPAC Name 1-(5-methylfuran-2-yl)propan-1-one
InChI Key BXLPZYAVKVFXEO-UHFFFAOYSA-N
Molecular Formula C8H10O2
14

4-(Trifluoroacetyl)toluene, 97%

CAS: 394-59-2 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00052338 InChI Key: DYILUJUELMWXAL-UHFFFAOYSA-N Synonym: 4-trifluoroacetyl toluene,2,2,2-trifluoro-1-p-tolyl ethanone,4'-methyl-2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-p-tolylethanone,2,2,2-trifluoro-1-4-methylphenyl ethanone,2,2,2-trifluoro-4'-methylacetophenone,2,2,2-trifluoro-1-4-methylphenyl ethan-1-one,2,2,2-trifluoro-1-p-tolyl-ethanone,4-trifluoroacetyltoluene,acmc-209j5m PubChem CID: 136237 IUPAC Name: 2,2,2-trifluoro-1-(4-methylphenyl)ethanone SMILES: CC1=CC=C(C=C1)C(=O)C(F)(F)F

PubChem CID 136237
CAS 394-59-2
Molecular Weight (g/mol) 188.149
MDL Number MFCD00052338
SMILES CC1=CC=C(C=C1)C(=O)C(F)(F)F
Synonym 4-trifluoroacetyl toluene,2,2,2-trifluoro-1-p-tolyl ethanone,4'-methyl-2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-p-tolylethanone,2,2,2-trifluoro-1-4-methylphenyl ethanone,2,2,2-trifluoro-4'-methylacetophenone,2,2,2-trifluoro-1-4-methylphenyl ethan-1-one,2,2,2-trifluoro-1-p-tolyl-ethanone,4-trifluoroacetyltoluene,acmc-209j5m
IUPAC Name 2,2,2-trifluoro-1-(4-methylphenyl)ethanone
InChI Key DYILUJUELMWXAL-UHFFFAOYSA-N
Molecular Formula C9H7F3O
15

3',5'-Dichloroacetophenone 98.0+%, TCI America™

CAS: 14401-72-0 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.035 MDL Number: MFCD00045189 InChI Key: JGMBBKVZFUHCJC-UHFFFAOYSA-N PubChem CID: 2758058 IUPAC Name: 1-(3,5-dichlorophenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1)Cl)Cl

PubChem CID 2758058
CAS 14401-72-0
Molecular Weight (g/mol) 189.035
MDL Number MFCD00045189
SMILES CC(=O)C1=CC(=CC(=C1)Cl)Cl
IUPAC Name 1-(3,5-dichlorophenyl)ethanone
InChI Key JGMBBKVZFUHCJC-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O