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Organooxygen compounds

Organic compounds that contain one or more oxygen atoms.
Alcohols and polyols (71)
Carbonyl compounds (68)
Enediols (37)

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1
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Isoamyl Alcohol (Clear, Colorless/Certified ACS), Fisher Chemical™

CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002934 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO

EDGE
PubChem CID 31260
CAS 123-51-3
Molecular Weight (g/mol) 88.15
ChEBI CHEBI:15837
MDL Number MFCD00002934
SMILES CC(C)CCO
Synonym 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol
IUPAC Name 3-methylbutan-1-ol
InChI Key PHTQWCKDNZKARW-UHFFFAOYSA-N
Molecular Formula C5H12O
2
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1,3-Butanediol, 99%, Spectrum™ Chemical
SDP

CAS: 107-88-0

CAS 107-88-0
4

Cafestol from Coffee Beans, MP Biomedicals™

CAS: 469-83-0 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.44 MDL Number: MFCD01075769 InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N IUPAC Name: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3

CAS 469-83-0
Molecular Weight (g/mol) 316.44
MDL Number MFCD01075769
SMILES C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3
IUPAC Name (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol
InChI Key DNJVYWXIDISQRD-HWUKTEKMSA-N
Molecular Formula C20H28O3
5
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1-Pentanol, Reagent, ACS, 98%, Spectrum™ Chemical
SDP

CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N IUPAC Name: pentan-1-ol SMILES: CCCCCO

CAS 71-41-0
Molecular Weight (g/mol) 88.15
MDL Number MFCD00002977,MFCD00081734,MFCD01075169
SMILES CCCCCO
IUPAC Name pentan-1-ol
InChI Key AMQJEAYHLZJPGS-UHFFFAOYSA-N
Molecular Formula C5H12O
6
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2-(2-Ethoxyethoxy)ethanol, 99-100%, Spectrum™ Chemical
SDP

CAS: 111-90-0 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 InChI Key: XXJWXESWEXIICW-UHFFFAOYSA-N IUPAC Name: 2-(2-ethoxyethoxy)ethan-1-ol SMILES: CCOCCOCCO

CAS 111-90-0
Molecular Weight (g/mol) 134.18
SMILES CCOCCOCCO
IUPAC Name 2-(2-ethoxyethoxy)ethan-1-ol
InChI Key XXJWXESWEXIICW-UHFFFAOYSA-N
Molecular Formula C6H14O3
7

Acetaldehyde, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.

8

Cafestol

CAS: 469-83-0 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.44 MDL Number: MFCD01075769 InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N Synonym: cafestol,cafesterol,ccris 1518,unii-ac465t6q6w,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta,--cafestol,1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol,3bs,5as,7r,8r,10ar,10bs-7-hydroxymethyl-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta 5,6 naphtho 2,1-b furan-7-ol PubChem CID: 108052 ChEBI: CHEBI:3291 IUPAC Name: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3

PubChem CID 108052
CAS 469-83-0
Molecular Weight (g/mol) 316.44
ChEBI CHEBI:3291
MDL Number MFCD01075769
SMILES C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3
Synonym cafestol,cafesterol,ccris 1518,unii-ac465t6q6w,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta,--cafestol,1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol,3bs,5as,7r,8r,10ar,10bs-7-hydroxymethyl-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta 5,6 naphtho 2,1-b furan-7-ol
IUPAC Name (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol
InChI Key DNJVYWXIDISQRD-HWUKTEKMSA-N
Molecular Formula C20H28O3
9

Malonic acid disodium salt, 99%

CAS: 141-95-7 Molecular Formula: C3H2Na2O4 Molecular Weight (g/mol): 148.025 MDL Number: MFCD00002708 InChI Key: PRWXGRGLHYDWPS-UHFFFAOYSA-L Synonym: sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt PubChem CID: 8865 ChEBI: CHEBI:62983 IUPAC Name: disodium;propanedioate SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

PubChem CID 8865
CAS 141-95-7
Molecular Weight (g/mol) 148.025
ChEBI CHEBI:62983
MDL Number MFCD00002708
SMILES C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Synonym sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt
IUPAC Name disodium;propanedioate
InChI Key PRWXGRGLHYDWPS-UHFFFAOYSA-L
Molecular Formula C3H2Na2O4
10
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tert-Butyl Alcohol, Reagent, 99%, Spectrum™ Chemical
SDP

CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O

CAS 75-65-0
Molecular Weight (g/mol) 74.12
SMILES CC(C)(C)O
IUPAC Name 2-methylpropan-2-ol
InChI Key DKGAVHZHDRPRBM-UHFFFAOYSA-N
Molecular Formula C4H10O
11
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Propylene Glycol (USP/FCC), Fisher Chemical™

CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00064272 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O

PubChem CID 1030
CAS 57-55-6
Molecular Weight (g/mol) 76.095
ChEBI CHEBI:16997
MDL Number MFCD00064272
SMILES CC(CO)O
Synonym 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost
IUPAC Name propane-1,2-diol
InChI Key DNIAPMSPPWPWGF-UHFFFAOYSA-N
Molecular Formula C3H8O2
12
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1-Phenylcyclohexanol, 97%

CAS: 1589-60-2 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00021393 InChI Key: DTTDXHDYTWQDCS-UHFFFAOYSA-N Synonym: 1-phenylcyclohexanol,cyclohexanol, 1-phenyl,1-phenyl-1-cyclohexanol,phenylcyclohexanol,cyclohexanol, phenyl,1-phenylcyclohexanol-1,1-phenyl-cyclohexanol,maybridge1_002485,1-phenyl-cyclohexan-1-ol,acmc-209dj8 PubChem CID: 15319 IUPAC Name: 1-phenylcyclohexan-1-ol SMILES: C1CCC(CC1)(C2=CC=CC=C2)O

PubChem CID 15319
CAS 1589-60-2
Molecular Weight (g/mol) 176.259
MDL Number MFCD00021393
SMILES C1CCC(CC1)(C2=CC=CC=C2)O
Synonym 1-phenylcyclohexanol,cyclohexanol, 1-phenyl,1-phenyl-1-cyclohexanol,phenylcyclohexanol,cyclohexanol, phenyl,1-phenylcyclohexanol-1,1-phenyl-cyclohexanol,maybridge1_002485,1-phenyl-cyclohexan-1-ol,acmc-209dj8
IUPAC Name 1-phenylcyclohexan-1-ol
InChI Key DTTDXHDYTWQDCS-UHFFFAOYSA-N
Molecular Formula C12H16O
13
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Propionaldehyde, 99+%

CAS: 123-38-6 Molecular Weight (g/mol): 58.08 MDL Number: MFCD00007020 InChI Key: NBBJYMSMWIIQGU-UHFFFAOYSA-N Synonym: propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique PubChem CID: 527 ChEBI: CHEBI:17153 IUPAC Name: propanal SMILES: CCC=O

PubChem CID 527
CAS 123-38-6
Molecular Weight (g/mol) 58.08
ChEBI CHEBI:17153
MDL Number MFCD00007020
SMILES CCC=O
Synonym propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique
IUPAC Name propanal
InChI Key NBBJYMSMWIIQGU-UHFFFAOYSA-N
14
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Acetaldehyde, 99.5%, extra pure

CAS: 75-07-0 Molecular Formula: C2H4O Molecular Weight (g/mol): 44.04 MDL Number: MFCD00006991 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N Synonym: ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique PubChem CID: 177 ChEBI: CHEBI:15343 IUPAC Name: acetaldehyde SMILES: CC=O

PubChem CID 177
CAS 75-07-0
Molecular Weight (g/mol) 44.04
ChEBI CHEBI:15343
MDL Number MFCD00006991
SMILES CC=O
Synonym ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique
IUPAC Name acetaldehyde
InChI Key IKHGUXGNUITLKF-UHFFFAOYSA-N
Molecular Formula C2H4O
15
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3-Coumaranone, 97%

CAS: 7169-34-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00051810 InChI Key: MGKPCLNUSDGXGT-UHFFFAOYSA-N Synonym: benzofuran-3 2h-one,3-coumaranone,3 2h-benzofuranone,1-benzofuran-3 2h-one,coumaranone,benzofuran-3-one,coumaran-3-one,2,3-dihydrobenzo b furan-3-one,2,3-dihydro-1-benzofuran-3-one,2h-benzofuran-3-one PubChem CID: 23556 IUPAC Name: 1-benzofuran-3-one SMILES: O=C1COC2=CC=CC=C12

PubChem CID 23556
CAS 7169-34-8
Molecular Weight (g/mol) 134.13
MDL Number MFCD00051810
SMILES O=C1COC2=CC=CC=C12
Synonym benzofuran-3 2h-one,3-coumaranone,3 2h-benzofuranone,1-benzofuran-3 2h-one,coumaranone,benzofuran-3-one,coumaran-3-one,2,3-dihydrobenzo b furan-3-one,2,3-dihydro-1-benzofuran-3-one,2h-benzofuran-3-one
IUPAC Name 1-benzofuran-3-one
InChI Key MGKPCLNUSDGXGT-UHFFFAOYSA-N
Molecular Formula C8H6O2