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Organooxygen compounds

Organic compounds that contain one or more oxygen atoms.
Carbonyl compounds (243)
Alcohols and polyols (200)
Enediols (70)

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4-Hydroxy-3-(trifluoromethoxy)benzaldehyde, 98+%, Thermo Scientific Chemicals

CAS: 53104-95-3 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD04973780 InChI Key: GPJSLRQIOKFRFL-UHFFFAOYSA-N Synonym: 4-hydroxy-3-trifluoromethoxy benzaldehyde,benzaldehyde, 4-hydroxy-3-trifluoromethoxy,4-hydroxy-3-trifluoromethoxy benzaldehyde, 98+%,4-oxidanyl-3-trifluoromethyloxy benzaldehyde PubChem CID: 7018050 IUPAC Name: 4-hydroxy-3-(trifluoromethoxy)benzaldehyde SMILES: OC1=C(OC(F)(F)F)C=C(C=O)C=C1

PubChem CID 7018050
CAS 53104-95-3
Molecular Weight (g/mol) 206.12
MDL Number MFCD04973780
SMILES OC1=C(OC(F)(F)F)C=C(C=O)C=C1
Synonym 4-hydroxy-3-trifluoromethoxy benzaldehyde,benzaldehyde, 4-hydroxy-3-trifluoromethoxy,4-hydroxy-3-trifluoromethoxy benzaldehyde, 98+%,4-oxidanyl-3-trifluoromethyloxy benzaldehyde
IUPAC Name 4-hydroxy-3-(trifluoromethoxy)benzaldehyde
InChI Key GPJSLRQIOKFRFL-UHFFFAOYSA-N
Molecular Formula C8H5F3O3
2
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trans-4-Decenal, 96%, may cont. ca 7% cis-isomer

CAS: 65405-70-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00065447 InChI Key: CWRKZMLUDFBPAO-VOTSOKGWSA-N Synonym: trans-4-decen-1-al,trans-4-decenal,e-4-decenal,e-dec-4-enal,4-decenal, e,4-decenal,unii-kz74b5801j,4-decene-1-al,dec-4-enal,fema no. 3264 PubChem CID: 5702654 IUPAC Name: (E)-dec-4-enal SMILES: CCCCCC=CCCC=O

PubChem CID 5702654
CAS 65405-70-1
Molecular Weight (g/mol) 154.253
MDL Number MFCD00065447
SMILES CCCCCC=CCCC=O
Synonym trans-4-decen-1-al,trans-4-decenal,e-4-decenal,e-dec-4-enal,4-decenal, e,4-decenal,unii-kz74b5801j,4-decene-1-al,dec-4-enal,fema no. 3264
IUPAC Name (E)-dec-4-enal
InChI Key CWRKZMLUDFBPAO-VOTSOKGWSA-N
Molecular Formula C10H18O
3
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p-Nitroacetophenone, 97%

CAS: 100-19-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00007355 InChI Key: YQYGPGKTNQNXMH-UHFFFAOYSA-N Synonym: p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap PubChem CID: 7487 ChEBI: CHEBI:28735 IUPAC Name: 1-(4-nitrophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 7487
CAS 100-19-6
Molecular Weight (g/mol) 165.15
ChEBI CHEBI:28735
MDL Number MFCD00007355
SMILES CC(=O)C1=CC=C(C=C1)[N+]([O-])=O
Synonym p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap
IUPAC Name 1-(4-nitrophenyl)ethanone
InChI Key YQYGPGKTNQNXMH-UHFFFAOYSA-N
Molecular Formula C8H7NO3
4
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Pyrimidine-5-carboxaldehyde, 97%

CAS: 10070-92-5 Molecular Formula: C5H4N2O Molecular Weight (g/mol): 108.10 MDL Number: MFCD03426065 InChI Key: FREJAOSUHFGDBW-UHFFFAOYSA-N Synonym: pyrimidine-5-carboxaldehyde,5-formylpyrimidine,pyrimidine-5-carboxyaldehyde,5-pyrimidinecarboxaldehyde,5-pyrimidinecarbaldehyde,5-pyrimidinaldehyde,5-formyl pyrimidine,pubchem5298,pyrimidine-5-aldehyde,pyrimidine 5-carboxaldehyde PubChem CID: 2761034 IUPAC Name: pyrimidine-5-carbaldehyde SMILES: O=CC1=CN=CN=C1

PubChem CID 2761034
CAS 10070-92-5
Molecular Weight (g/mol) 108.10
MDL Number MFCD03426065
SMILES O=CC1=CN=CN=C1
Synonym pyrimidine-5-carboxaldehyde,5-formylpyrimidine,pyrimidine-5-carboxyaldehyde,5-pyrimidinecarboxaldehyde,5-pyrimidinecarbaldehyde,5-pyrimidinaldehyde,5-formyl pyrimidine,pubchem5298,pyrimidine-5-aldehyde,pyrimidine 5-carboxaldehyde
IUPAC Name pyrimidine-5-carbaldehyde
InChI Key FREJAOSUHFGDBW-UHFFFAOYSA-N
Molecular Formula C5H4N2O
5

Difluoromethyl 2,2,3,3-Tetrafluoropropyl Ether 98.0+%, TCI America™

CAS: 35042-99-0 Molecular Formula: C4H4F6O Molecular Weight (g/mol): 182.07 MDL Number: MFCD00236119 InChI Key: PCTQNZRJAGLDPD-UHFFFAOYSA-N PubChem CID: 2737027 IUPAC Name: 3-(difluoromethoxy)-1,1,2,2-tetrafluoropropane SMILES: FC(F)OCC(F)(F)C(F)F

PubChem CID 2737027
CAS 35042-99-0
Molecular Weight (g/mol) 182.07
MDL Number MFCD00236119
SMILES FC(F)OCC(F)(F)C(F)F
IUPAC Name 3-(difluoromethoxy)-1,1,2,2-tetrafluoropropane
InChI Key PCTQNZRJAGLDPD-UHFFFAOYSA-N
Molecular Formula C4H4F6O
6

2-(Hydroxymethyl)thiazole 98.0+%, TCI America™

CAS: 14542-12-2 Molecular Formula: C4H5NOS Molecular Weight (g/mol): 115.15 MDL Number: MFCD06200855 InChI Key: JNHDLNXNYPLBMJ-UHFFFAOYSA-N Synonym: thiazol-2-ylmethanol,2-thiazolemethanol,thiazol-2-yl-methanol,2-hydroxymethylthiazole,2-hydroxymethyl thiazole,2-hydroxymehtylthiazole,1,3-thiazol-2-yl methanol,thiazol-2-yl methanol,thiazole-2-methanol,2-thiazolylmethanol PubChem CID: 2795213 IUPAC Name: (1,3-thiazol-2-yl)methanol SMILES: OCC1=NC=CS1

PubChem CID 2795213
CAS 14542-12-2
Molecular Weight (g/mol) 115.15
MDL Number MFCD06200855
SMILES OCC1=NC=CS1
Synonym thiazol-2-ylmethanol,2-thiazolemethanol,thiazol-2-yl-methanol,2-hydroxymethylthiazole,2-hydroxymethyl thiazole,2-hydroxymehtylthiazole,1,3-thiazol-2-yl methanol,thiazol-2-yl methanol,thiazole-2-methanol,2-thiazolylmethanol
IUPAC Name (1,3-thiazol-2-yl)methanol
InChI Key JNHDLNXNYPLBMJ-UHFFFAOYSA-N
Molecular Formula C4H5NOS
7
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4-Phenyl-3-butyn-2-one, 96%

CAS: 1817-57-8 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.173 MDL Number: MFCD00008776 InChI Key: UPEUQDJSUFHFQP-UHFFFAOYSA-N Synonym: 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one PubChem CID: 74555 ChEBI: CHEBI:51731 IUPAC Name: 4-phenylbut-3-yn-2-one SMILES: CC(=O)C#CC1=CC=CC=C1

PubChem CID 74555
CAS 1817-57-8
Molecular Weight (g/mol) 144.173
ChEBI CHEBI:51731
MDL Number MFCD00008776
SMILES CC(=O)C#CC1=CC=CC=C1
Synonym 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one
IUPAC Name 4-phenylbut-3-yn-2-one
InChI Key UPEUQDJSUFHFQP-UHFFFAOYSA-N
Molecular Formula C10H8O
8
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4-Phenyl-3-butyn-2-one, 98%

CAS: 1817-57-8 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 InChI Key: UPEUQDJSUFHFQP-UHFFFAOYSA-N Synonym: 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one PubChem CID: 74555 ChEBI: CHEBI:51731 IUPAC Name: 4-phenylbut-3-yn-2-one SMILES: CC(=O)C#CC1=CC=CC=C1

PubChem CID 74555
CAS 1817-57-8
Molecular Weight (g/mol) 144.17
ChEBI CHEBI:51731
SMILES CC(=O)C#CC1=CC=CC=C1
Synonym 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one
IUPAC Name 4-phenylbut-3-yn-2-one
InChI Key UPEUQDJSUFHFQP-UHFFFAOYSA-N
Molecular Formula C10H8O
9

4'-Cyanoacetophenone 97.0+%, TCI America™

CAS: 1443-80-7 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00001825 InChI Key: NLPHXWGWBKZSJC-UHFFFAOYSA-N Synonym: 4'-cyanoacetophenone,benzonitrile, 4-acetyl,p-cyanoacetophenone,4-cyanoacetophenone,p-acetylbenzonitrile,4-acetyl-benzonitrile,benzonitrile, p-acetyl,4-acetylbenzenecarbonitrile,4-acetylbenznitrile PubChem CID: 74044 IUPAC Name: 4-acetylbenzonitrile SMILES: CC(=O)C1=CC=C(C=C1)C#N

PubChem CID 74044
CAS 1443-80-7
Molecular Weight (g/mol) 145.161
MDL Number MFCD00001825
SMILES CC(=O)C1=CC=C(C=C1)C#N
Synonym 4'-cyanoacetophenone,benzonitrile, 4-acetyl,p-cyanoacetophenone,4-cyanoacetophenone,p-acetylbenzonitrile,4-acetyl-benzonitrile,benzonitrile, p-acetyl,4-acetylbenzenecarbonitrile,4-acetylbenznitrile
IUPAC Name 4-acetylbenzonitrile
InChI Key NLPHXWGWBKZSJC-UHFFFAOYSA-N
Molecular Formula C9H7NO
10

(3-Acetylphenoxy)acetic Acid 98.0+%, TCI America™

CAS: 1878-80-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD02180947 InChI Key: VDZJGFDUSYCVJA-UHFFFAOYSA-N PubChem CID: 241887 IUPAC Name: 2-(3-acetylphenoxy)acetic acid SMILES: CC(=O)C1=CC=CC(OCC(O)=O)=C1

PubChem CID 241887
CAS 1878-80-4
Molecular Weight (g/mol) 194.19
MDL Number MFCD02180947
SMILES CC(=O)C1=CC=CC(OCC(O)=O)=C1
IUPAC Name 2-(3-acetylphenoxy)acetic acid
InChI Key VDZJGFDUSYCVJA-UHFFFAOYSA-N
Molecular Formula C10H10O4
11

3'-Bromo-4'-methylacetophenone 98.0+%, TCI America™

CAS: 40180-80-1 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD02683854 InChI Key: PDJLFESXPVLVMR-UHFFFAOYSA-N PubChem CID: 3309401 IUPAC Name: 1-(3-bromo-4-methylphenyl)ethanone SMILES: CC1=C(C=C(C=C1)C(=O)C)Br

PubChem CID 3309401
CAS 40180-80-1
Molecular Weight (g/mol) 213.074
MDL Number MFCD02683854
SMILES CC1=C(C=C(C=C1)C(=O)C)Br
IUPAC Name 1-(3-bromo-4-methylphenyl)ethanone
InChI Key PDJLFESXPVLVMR-UHFFFAOYSA-N
Molecular Formula C9H9BrO
12

Melperone 95.0+%, TCI America™

CAS: 3575-80-2 Molecular Formula: C16H23ClFNO Molecular Weight (g/mol): 299.81 MDL Number: MFCD00867737 InChI Key: MQHYXXIJLKFQGY-UHFFFAOYSA-N PubChem CID: 15387 IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperidin-1-ium chloride SMILES: [Cl-].CC1CC[NH+](CCCC(=O)C2=CC=C(F)C=C2)CC1

PubChem CID 15387
CAS 3575-80-2
Molecular Weight (g/mol) 299.81
MDL Number MFCD00867737
SMILES [Cl-].CC1CC[NH+](CCCC(=O)C2=CC=C(F)C=C2)CC1
IUPAC Name 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperidin-1-ium chloride
InChI Key MQHYXXIJLKFQGY-UHFFFAOYSA-N
Molecular Formula C16H23ClFNO
13

1-Pentadecanol 95.0+%, TCI America™

CAS: 629-76-5 Molecular Formula: C15H32O Molecular Weight (g/mol): 228.42 MDL Number: MFCD00004759 InChI Key: REIUXOLGHVXAEO-UHFFFAOYSA-N Synonym: 1-pentadecanol,pentadecyl alcohol,pentadecanol,n-pentadecanol,n-1-pentadecanol,neodol 5,unii-333qva4g2q,dsstox_cid_7270,dsstox_rid_78381,dsstox_gsid_27270 PubChem CID: 12397 ChEBI: CHEBI:77468 IUPAC Name: pentadecan-1-ol SMILES: CCCCCCCCCCCCCCCO

PubChem CID 12397
CAS 629-76-5
Molecular Weight (g/mol) 228.42
ChEBI CHEBI:77468
MDL Number MFCD00004759
SMILES CCCCCCCCCCCCCCCO
Synonym 1-pentadecanol,pentadecyl alcohol,pentadecanol,n-pentadecanol,n-1-pentadecanol,neodol 5,unii-333qva4g2q,dsstox_cid_7270,dsstox_rid_78381,dsstox_gsid_27270
IUPAC Name pentadecan-1-ol
InChI Key REIUXOLGHVXAEO-UHFFFAOYSA-N
Molecular Formula C15H32O
14
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2-Butoxyethanol, 97%, Spectrum™ Chemical
SDP

CAS: 111-76-2

CAS 111-76-2
15

cis-2-Butene-1,4-diol 94.0+%, TCI America™

CAS: 6117-80-2 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00002924,MFCD00063207 InChI Key: ORTVZLZNOYNASJ-UPHRSURJSA-N Synonym: cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv PubChem CID: 643790 IUPAC Name: (2Z)-but-2-ene-1,4-diol SMILES: OC\C=C/CO

PubChem CID 643790
CAS 6117-80-2
Molecular Weight (g/mol) 88.11
MDL Number MFCD00002924,MFCD00063207
SMILES OC\C=C/CO
Synonym cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv
IUPAC Name (2Z)-but-2-ene-1,4-diol
InChI Key ORTVZLZNOYNASJ-UPHRSURJSA-N
Molecular Formula C4H8O2