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Organooxygen compounds

Organic compounds that contain one or more oxygen atoms.
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Enediols (28)
Alcohols and polyols (9)

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5-Benzyloxyindole, 94%, may contain up to ca 7% toluene

CAS: 1215-59-4 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.275 MDL Number: MFCD00005676 InChI Key: JCQLPDZCNSVBMS-UHFFFAOYSA-N Synonym: 5-benzyloxyindole,5-benzyloxy-1h-indole,1h-indole, 5-phenylmethoxy,benzyloxy-5 indole,indole, 5-benzyloxy,5-benzyloxy indole,unii-yci4z02e1c PubChem CID: 14624 IUPAC Name: 5-phenylmethoxy-1H-indole SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3

PubChem CID 14624
CAS 1215-59-4
Molecular Weight (g/mol) 223.275
MDL Number MFCD00005676
SMILES C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3
Synonym 5-benzyloxyindole,5-benzyloxy-1h-indole,1h-indole, 5-phenylmethoxy,benzyloxy-5 indole,indole, 5-benzyloxy,5-benzyloxy indole,unii-yci4z02e1c
IUPAC Name 5-phenylmethoxy-1H-indole
InChI Key JCQLPDZCNSVBMS-UHFFFAOYSA-N
Molecular Formula C15H13NO
2

4-(Hexyloxy)benzaldehyde 98.0+%, TCI America™

CAS: 5736-94-7 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00016615 InChI Key: GWXUVWKBVROFDM-UHFFFAOYSA-N Synonym: 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde PubChem CID: 79816 IUPAC Name: 4-hexoxybenzaldehyde SMILES: CCCCCCOC1=CC=C(C=C1)C=O

PubChem CID 79816
CAS 5736-94-7
Molecular Weight (g/mol) 206.285
MDL Number MFCD00016615
SMILES CCCCCCOC1=CC=C(C=C1)C=O
Synonym 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde
IUPAC Name 4-hexoxybenzaldehyde
InChI Key GWXUVWKBVROFDM-UHFFFAOYSA-N
Molecular Formula C13H18O2
3

Triethylene Glycol Monododecyl Ether 95.0+%, TCI America™

CAS: 3055-94-5 Molecular Formula: C18H38O4 Molecular Weight (g/mol): 318.50 MDL Number: MFCD00042659 InChI Key: FKMHSNTVILORFA-UHFFFAOYSA-N PubChem CID: 76458 IUPAC Name: 2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethan-1-ol SMILES: CCCCCCCCCCCCOCCOCCOCCO

PubChem CID 76458
CAS 3055-94-5
Molecular Weight (g/mol) 318.50
MDL Number MFCD00042659
SMILES CCCCCCCCCCCCOCCOCCOCCO
IUPAC Name 2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethan-1-ol
InChI Key FKMHSNTVILORFA-UHFFFAOYSA-N
Molecular Formula C18H38O4
4
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6-Benzoylhexanoic acid, 94%, Thermo Scientific Chemicals

CAS: 7472-43-7 Molecular Formula: C13H16O3 Molecular Weight (g/mol): 220.27 MDL Number: MFCD00039608 InChI Key: DOQWHEUDAHLEPT-UHFFFAOYSA-N Synonym: 6-benzoylhexanoic acid,7-oxo-7-phenyl-heptanoic acid,6-benzoyl hexanoic acid,benzeneheptanoic acid, z-oxo,7-oxo-7-phenylheptanoicacid,#,benzeneheptanoic acid,,ae-oxo,alpha-oxo benzeneheptanoic acid,benzeneheptanoic acid,alpha-oxo PubChem CID: 344830 IUPAC Name: 7-oxo-7-phenylheptanoic acid SMILES: OC(=O)CCCCCC(=O)C1=CC=CC=C1

PubChem CID 344830
CAS 7472-43-7
Molecular Weight (g/mol) 220.27
MDL Number MFCD00039608
SMILES OC(=O)CCCCCC(=O)C1=CC=CC=C1
Synonym 6-benzoylhexanoic acid,7-oxo-7-phenyl-heptanoic acid,6-benzoyl hexanoic acid,benzeneheptanoic acid, z-oxo,7-oxo-7-phenylheptanoicacid,#,benzeneheptanoic acid,,ae-oxo,alpha-oxo benzeneheptanoic acid,benzeneheptanoic acid,alpha-oxo
IUPAC Name 7-oxo-7-phenylheptanoic acid
InChI Key DOQWHEUDAHLEPT-UHFFFAOYSA-N
Molecular Formula C13H16O3
5
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Methyl 3-trifluoromethylbenzoylacetate, 95%, Thermo Scientific™

CAS: 93618-66-7 Molecular Formula: C11H9F3O3 Molecular Weight (g/mol): 246.19 MDL Number: MFCD00216522 InChI Key: RPRMYRPHNDGZOY-UHFFFAOYSA-N Synonym: methyl 3-oxo-3-3-trifluoromethyl phenyl propanoate,methyl 3-trifluoromethyl benzoylacetate,methyl 3-trifluoromethyl benzoyl acetate,3-3-trifluoromethylphenyl-3-oxo-propionic acid methyl ester,3-oxo-3-3-trifluoromethyl-phenyl-propionic acid methyl ester,pubchem2695,methyl 3-trifluoromethylbenzoylacetate,methyl 3-oxo-3-3-trifluoromethylphenyl propanoate,3-oxo-3-3-trifluoromethylphenyl propionic acid methyl ester PubChem CID: 735880 IUPAC Name: methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate SMILES: COC(=O)CC(=O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 735880
CAS 93618-66-7
Molecular Weight (g/mol) 246.19
MDL Number MFCD00216522
SMILES COC(=O)CC(=O)C1=CC=CC(=C1)C(F)(F)F
Synonym methyl 3-oxo-3-3-trifluoromethyl phenyl propanoate,methyl 3-trifluoromethyl benzoylacetate,methyl 3-trifluoromethyl benzoyl acetate,3-3-trifluoromethylphenyl-3-oxo-propionic acid methyl ester,3-oxo-3-3-trifluoromethyl-phenyl-propionic acid methyl ester,pubchem2695,methyl 3-trifluoromethylbenzoylacetate,methyl 3-oxo-3-3-trifluoromethylphenyl propanoate,3-oxo-3-3-trifluoromethylphenyl propionic acid methyl ester
IUPAC Name methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
InChI Key RPRMYRPHNDGZOY-UHFFFAOYSA-N
Molecular Formula C11H9F3O3
6
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2,2'-Furil, 98%

CAS: 492-94-4 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00003241 InChI Key: SXPUVBFQXJHYNS-UHFFFAOYSA-N Synonym: furil,alpha-furil,bipyromucyl,2,2'-furil,bipryomucyl,di-2-furylglyoxal,difuranylglyoxal,ethanedione, di-2-furanyl,di-2-furanylethanedione,a-furil PubChem CID: 68119 IUPAC Name: 1,2-bis(furan-2-yl)ethane-1,2-dione SMILES: C1=COC(=C1)C(=O)C(=O)C2=CC=CO2

PubChem CID 68119
CAS 492-94-4
Molecular Weight (g/mol) 190.154
MDL Number MFCD00003241
SMILES C1=COC(=C1)C(=O)C(=O)C2=CC=CO2
Synonym furil,alpha-furil,bipyromucyl,2,2'-furil,bipryomucyl,di-2-furylglyoxal,difuranylglyoxal,ethanedione, di-2-furanyl,di-2-furanylethanedione,a-furil
IUPAC Name 1,2-bis(furan-2-yl)ethane-1,2-dione
InChI Key SXPUVBFQXJHYNS-UHFFFAOYSA-N
Molecular Formula C10H6O4
7

Allyl methyl ether, 94%

CAS: 627-40-7 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00008649 InChI Key: FASUFOTUSHAIHG-UHFFFAOYSA-N Synonym: allyl methyl ether,1-propene, 3-methoxy,3-methoxy-1-propene,ether, allyl methyl,3-methoxypropene,methyl allyl ether,allylmethylether,4-oxapent-1-ene,1-methoxy-2-propene,methylallyl ether PubChem CID: 69392 IUPAC Name: 3-methoxyprop-1-ene SMILES: COCC=C

PubChem CID 69392
CAS 627-40-7
Molecular Weight (g/mol) 72.11
MDL Number MFCD00008649
SMILES COCC=C
Synonym allyl methyl ether,1-propene, 3-methoxy,3-methoxy-1-propene,ether, allyl methyl,3-methoxypropene,methyl allyl ether,allylmethylether,4-oxapent-1-ene,1-methoxy-2-propene,methylallyl ether
IUPAC Name 3-methoxyprop-1-ene
InChI Key FASUFOTUSHAIHG-UHFFFAOYSA-N
Molecular Formula C4H8O
8
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6-Methoxyindole, 98+%

CAS: 3189-13-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00022780 InChI Key: QJRWYBIKLXNYLF-UHFFFAOYSA-N Synonym: 6-methoxyindole,1h-indole, 6-methoxy,indole, 6-methoxy,1h-indol-6-yl methyl ether,6-methoxy indole,pubchem1701,acmc-209hph,opera_id_1903,6-methyloxy-1h-indole PubChem CID: 76659 IUPAC Name: 6-methoxy-1H-indole SMILES: COC1=CC=C2C=CNC2=C1

PubChem CID 76659
CAS 3189-13-7
Molecular Weight (g/mol) 147.18
MDL Number MFCD00022780
SMILES COC1=CC=C2C=CNC2=C1
Synonym 6-methoxyindole,1h-indole, 6-methoxy,indole, 6-methoxy,1h-indol-6-yl methyl ether,6-methoxy indole,pubchem1701,acmc-209hph,opera_id_1903,6-methyloxy-1h-indole
IUPAC Name 6-methoxy-1H-indole
InChI Key QJRWYBIKLXNYLF-UHFFFAOYSA-N
Molecular Formula C9H9NO
9
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4-n-Hexyloxybenzaldehyde, 98%

CAS: 5736-94-7 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00016615 InChI Key: GWXUVWKBVROFDM-UHFFFAOYSA-N Synonym: 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde PubChem CID: 79816 IUPAC Name: 4-hexoxybenzaldehyde SMILES: CCCCCCOC1=CC=C(C=C1)C=O

PubChem CID 79816
CAS 5736-94-7
Molecular Weight (g/mol) 206.285
MDL Number MFCD00016615
SMILES CCCCCCOC1=CC=C(C=C1)C=O
Synonym 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde
IUPAC Name 4-hexoxybenzaldehyde
InChI Key GWXUVWKBVROFDM-UHFFFAOYSA-N
Molecular Formula C13H18O2
10
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4'-Methylpropiophenone, 94%

CAS: 5337-93-9 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00009312 InChI Key: PATYHUUYADUHQS-UHFFFAOYSA-N Synonym: 4'-methylpropiophenone,1-p-tolyl propan-1-one,p-methylpropiophenone,4-methylpropiophenone,1-4-methylphenyl propan-1-one,1-propanone, 1-4-methylphenyl,p-tolyl ethyl ketone,p-methyl propiophenone,1-p-tolylpropan-1-one,1-4-methylphenyl-1-propanone PubChem CID: 21429 ChEBI: CHEBI:59335 IUPAC Name: 1-(4-methylphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C)C=C1

PubChem CID 21429
CAS 5337-93-9
Molecular Weight (g/mol) 148.21
ChEBI CHEBI:59335
MDL Number MFCD00009312
SMILES CCC(=O)C1=CC=C(C)C=C1
Synonym 4'-methylpropiophenone,1-p-tolyl propan-1-one,p-methylpropiophenone,4-methylpropiophenone,1-4-methylphenyl propan-1-one,1-propanone, 1-4-methylphenyl,p-tolyl ethyl ketone,p-methyl propiophenone,1-p-tolylpropan-1-one,1-4-methylphenyl-1-propanone
IUPAC Name 1-(4-methylphenyl)propan-1-one
InChI Key PATYHUUYADUHQS-UHFFFAOYSA-N
Molecular Formula C10H12O
11

5-Chloro-1-indanone 97.0+%, TCI America™

CAS: 42348-86-7 Molecular Formula: C9H7ClO Molecular Weight (g/mol): 166.60 MDL Number: MFCD00041456 InChI Key: MEDSHTHCZIOVPU-UHFFFAOYSA-N Synonym: 5-chloro-1-indanone,5-chloro-2,3-dihydro-1h-inden-1-one,5-chloroindan-1-one,5-chloro-indan-1-one,1h-inden-1-one, 5-chloro-2,3-dihydro,5-chloroindanone,5-chloroindone,pubchem2250,1-indanone, 5-chloro,5-chloro indanone PubChem CID: 142599 IUPAC Name: 5-chloro-2,3-dihydro-1H-inden-1-one SMILES: ClC1=CC=C2C(=O)CCC2=C1

PubChem CID 142599
CAS 42348-86-7
Molecular Weight (g/mol) 166.60
MDL Number MFCD00041456
SMILES ClC1=CC=C2C(=O)CCC2=C1
Synonym 5-chloro-1-indanone,5-chloro-2,3-dihydro-1h-inden-1-one,5-chloroindan-1-one,5-chloro-indan-1-one,1h-inden-1-one, 5-chloro-2,3-dihydro,5-chloroindanone,5-chloroindone,pubchem2250,1-indanone, 5-chloro,5-chloro indanone
IUPAC Name 5-chloro-2,3-dihydro-1H-inden-1-one
InChI Key MEDSHTHCZIOVPU-UHFFFAOYSA-N
Molecular Formula C9H7ClO
12

2-Bromo-3'-nitroacetophenone 97.0+%, TCI America™

CAS: 2227-64-7 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.044 MDL Number: MFCD00024512 InChI Key: GZHPNIQBPGUSSX-UHFFFAOYSA-N Synonym: 2-bromo-1-3-nitrophenyl ethanone,2-bromo-3'-nitroacetophenone,3-nitrophenacyl bromide,3-nitrophenacylbromide,2-bromo-1-3-nitrophenyl ethan-1-one,a-bromo-3-nitroacetophenone,2-bromo-3-nitroacetophenone,alpha-bromo-3'-nitroacetophenone,acetophenone, 2-bromo-3'-nitro,m-nitrophenacyl bromide PubChem CID: 75213 IUPAC Name: 2-bromo-1-(3-nitrophenyl)ethanone SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CBr

PubChem CID 75213
CAS 2227-64-7
Molecular Weight (g/mol) 244.044
MDL Number MFCD00024512
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CBr
Synonym 2-bromo-1-3-nitrophenyl ethanone,2-bromo-3'-nitroacetophenone,3-nitrophenacyl bromide,3-nitrophenacylbromide,2-bromo-1-3-nitrophenyl ethan-1-one,a-bromo-3-nitroacetophenone,2-bromo-3-nitroacetophenone,alpha-bromo-3'-nitroacetophenone,acetophenone, 2-bromo-3'-nitro,m-nitrophenacyl bromide
IUPAC Name 2-bromo-1-(3-nitrophenyl)ethanone
InChI Key GZHPNIQBPGUSSX-UHFFFAOYSA-N
Molecular Formula C8H6BrNO3
13
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Methyl vinyl ketone, tech. 90%, stab.

CAS: 78-94-4 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00008777 InChI Key: FUSUHKVFWTUUBE-UHFFFAOYSA-N Synonym: methyl vinyl ketone,3-buten-2-one,butenone,methylvinylketon,vinyl methyl ketone,methylene acetone,2-butenone,acetyl ethylene,3-butene-2-one,methyl ethenyl ketone PubChem CID: 6570 ChEBI: CHEBI:48058 IUPAC Name: but-3-en-2-one SMILES: CC(=O)C=C

PubChem CID 6570
CAS 78-94-4
Molecular Weight (g/mol) 70.09
ChEBI CHEBI:48058
MDL Number MFCD00008777
SMILES CC(=O)C=C
Synonym methyl vinyl ketone,3-buten-2-one,butenone,methylvinylketon,vinyl methyl ketone,methylene acetone,2-butenone,acetyl ethylene,3-butene-2-one,methyl ethenyl ketone
IUPAC Name but-3-en-2-one
InChI Key FUSUHKVFWTUUBE-UHFFFAOYSA-N
Molecular Formula C4H6O
14
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1-Octadecanol, 95%

CAS: 112-92-5 Molecular Formula: C18H38O Molecular Weight (g/mol): 270.5 MDL Number: MFCD00002823 InChI Key: GLDOVTGHNKAZLK-UHFFFAOYSA-N Synonym: stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol PubChem CID: 8221 ChEBI: CHEBI:32154 IUPAC Name: octadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCCO

PubChem CID 8221
CAS 112-92-5
Molecular Weight (g/mol) 270.5
ChEBI CHEBI:32154
MDL Number MFCD00002823
SMILES CCCCCCCCCCCCCCCCCCO
Synonym stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol
IUPAC Name octadecan-1-ol
InChI Key GLDOVTGHNKAZLK-UHFFFAOYSA-N
Molecular Formula C18H38O
15
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Heptaldehyde, 95%, stabilized

CAS: 111-71-7 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00007028 InChI Key: FXHGMKSSBGDXIY-UHFFFAOYSA-N Synonym: heptaldehyde,enanthaldehyde,n-heptaldehyde,enanthal,heptyl aldehyde,heptanaldehyde,n-heptanal,oenanthaldehyde,enanthole,oenanthal PubChem CID: 8130 ChEBI: CHEBI:34787 IUPAC Name: heptanal SMILES: CCCCCCC=O

PubChem CID 8130
CAS 111-71-7
Molecular Weight (g/mol) 114.19
ChEBI CHEBI:34787
MDL Number MFCD00007028
SMILES CCCCCCC=O
Synonym heptaldehyde,enanthaldehyde,n-heptaldehyde,enanthal,heptyl aldehyde,heptanaldehyde,n-heptanal,oenanthaldehyde,enanthole,oenanthal
IUPAC Name heptanal
InChI Key FXHGMKSSBGDXIY-UHFFFAOYSA-N
Molecular Formula C7H14O