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Organooxygen compounds

Organic compounds that contain one or more oxygen atoms.
Carbonyl compounds (21)
Alcohols and polyols (19)
Enediols (18)

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1

5α -Cholest-8(14)-en-3β-ol-15-one, 97%, Thermo Scientific™

CAS: 50673-97-7 Molecular Formula: C27H44O2 Molecular Weight (g/mol): 400.65 MDL Number: MFCD09065035 InChI Key: LINVVMHRTUSXHL-NDNSGUFDSA-N Synonym: colestolone,colestolonum,colestolona,15-ketocholestene,unii-5p8396t5xf,3beta-hydroxy-5alpha-cholest-8 14-en-15-one,15-oxo-5alpha-cholest-8 14-en-3beta-ol,colestolone usan:inn,5alpha-cholest-8 14-en-3-beta-ol-15-one,colestolonum inn-latin PubChem CID: 10046567 ChEBI: CHEBI:61829 SMILES: CC(C)CCCC(C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C

PubChem CID 10046567
CAS 50673-97-7
Molecular Weight (g/mol) 400.65
ChEBI CHEBI:61829
MDL Number MFCD09065035
SMILES CC(C)CCCC(C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Synonym colestolone,colestolonum,colestolona,15-ketocholestene,unii-5p8396t5xf,3beta-hydroxy-5alpha-cholest-8 14-en-15-one,15-oxo-5alpha-cholest-8 14-en-3beta-ol,colestolone usan:inn,5alpha-cholest-8 14-en-3-beta-ol-15-one,colestolonum inn-latin
InChI Key LINVVMHRTUSXHL-NDNSGUFDSA-N
Molecular Formula C27H44O2
2

3-Ethoxybenzaldehyde 98.0+%, TCI America™

CAS: 22924-15-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00016606 InChI Key: QZMGMXBYJZVAJN-UHFFFAOYSA-N Synonym: m-ethoxybenzaldehyde,benzaldehyde, 3-ethoxy,3-ethoxy-benzaldehyde,benzaldehyde, m-ethoxy,3-ethoxy benzaldehyde,3-ethoxybenzaldehdye,pubchem13132,acmc-209fzo,intermediates-zcf02615,3-ethoxybenzaldehyde PubChem CID: 89908 IUPAC Name: 3-ethoxybenzaldehyde SMILES: CCOC1=CC=CC(=C1)C=O

PubChem CID 89908
CAS 22924-15-8
Molecular Weight (g/mol) 150.177
MDL Number MFCD00016606
SMILES CCOC1=CC=CC(=C1)C=O
Synonym m-ethoxybenzaldehyde,benzaldehyde, 3-ethoxy,3-ethoxy-benzaldehyde,benzaldehyde, m-ethoxy,3-ethoxy benzaldehyde,3-ethoxybenzaldehdye,pubchem13132,acmc-209fzo,intermediates-zcf02615,3-ethoxybenzaldehyde
IUPAC Name 3-ethoxybenzaldehyde
InChI Key QZMGMXBYJZVAJN-UHFFFAOYSA-N
Molecular Formula C9H10O2
3

3-Methyl-1,5-pentanediol, 99%

CAS: 4457-71-0 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00039547 InChI Key: SXFJDZNJHVPHPH-UHFFFAOYSA-N Synonym: 3-methyl-1,5-pentanediol,1,5-pentanediol, 3-methyl,1,5-dihydroxy-3-methylpentane,unii-88495m4hns,acmc-1ai92,3-methyl-1,5-pentane diol,3-methyl-pentane-1,5-diol,3-methylpentane-1,5-diol,1,5-pentanediol,3-methyl,4-01-00-02571 beilstein handbook reference PubChem CID: 20524 IUPAC Name: 3-methylpentane-1,5-diol SMILES: CC(CCO)CCO

PubChem CID 20524
CAS 4457-71-0
Molecular Weight (g/mol) 118.176
MDL Number MFCD00039547
SMILES CC(CCO)CCO
Synonym 3-methyl-1,5-pentanediol,1,5-pentanediol, 3-methyl,1,5-dihydroxy-3-methylpentane,unii-88495m4hns,acmc-1ai92,3-methyl-1,5-pentane diol,3-methyl-pentane-1,5-diol,3-methylpentane-1,5-diol,1,5-pentanediol,3-methyl,4-01-00-02571 beilstein handbook reference
IUPAC Name 3-methylpentane-1,5-diol
InChI Key SXFJDZNJHVPHPH-UHFFFAOYSA-N
Molecular Formula C6H14O2
4

3-Allyloxypropionic Acid 95.0+%, TCI America™

CAS: 22577-15-7 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00039537 InChI Key: LBJZZFXUVYHXPH-UHFFFAOYSA-N PubChem CID: 552244 IUPAC Name: 3-prop-2-enoxypropanoic acid SMILES: C=CCOCCC(=O)O

PubChem CID 552244
CAS 22577-15-7
Molecular Weight (g/mol) 130.143
MDL Number MFCD00039537
SMILES C=CCOCCC(=O)O
IUPAC Name 3-prop-2-enoxypropanoic acid
InChI Key LBJZZFXUVYHXPH-UHFFFAOYSA-N
Molecular Formula C6H10O3
5

3-Iodo-2-methoxypyridine 98.0+%, TCI America™

CAS: 112197-15-6 Molecular Formula: C6H6INO Molecular Weight (g/mol): 235.024 MDL Number: MFCD03094946 InChI Key: BXCHJERCAUZLOE-UHFFFAOYSA-N Synonym: 3-iodo-2-methoxy-pyridine,2-methoxy-3-iodopyridine,pyridine, 3-iodo-2-methoxy,pubchem6586,acmc-1cuph,ksc490s4l,3-iodo-2-methoxypyridine PubChem CID: 7009497 IUPAC Name: 3-iodo-2-methoxypyridine SMILES: COC1=C(C=CC=N1)I

PubChem CID 7009497
CAS 112197-15-6
Molecular Weight (g/mol) 235.024
MDL Number MFCD03094946
SMILES COC1=C(C=CC=N1)I
Synonym 3-iodo-2-methoxy-pyridine,2-methoxy-3-iodopyridine,pyridine, 3-iodo-2-methoxy,pubchem6586,acmc-1cuph,ksc490s4l,3-iodo-2-methoxypyridine
IUPAC Name 3-iodo-2-methoxypyridine
InChI Key BXCHJERCAUZLOE-UHFFFAOYSA-N
Molecular Formula C6H6INO
6

3'-Bromo-4'-fluoroacetophenone 96.0+%, TCI America™

CAS: 1007-15-4 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD00042466 InChI Key: SZDWTGAORQQQGY-UHFFFAOYSA-N Synonym: 3'-bromo-4'-fluoroacetophenone,3-bromo-4-fluoroacetophenone,1-3-bromo-4-fluorophenyl ethanone,1-3-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-4-fluorophenyl,1-3-bromo-4-fluoro-phenyl-ethanone,1-acetyl-3-bromo-4-fluorobenzene,pubchem4100,acmc-1bol8,ksc499c8t PubChem CID: 70508 IUPAC Name: 1-(3-bromo-4-fluorophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(F)C(Br)=C1

PubChem CID 70508
CAS 1007-15-4
Molecular Weight (g/mol) 217.04
MDL Number MFCD00042466
SMILES CC(=O)C1=CC=C(F)C(Br)=C1
Synonym 3'-bromo-4'-fluoroacetophenone,3-bromo-4-fluoroacetophenone,1-3-bromo-4-fluorophenyl ethanone,1-3-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-3-bromo-4-fluorophenyl,1-3-bromo-4-fluoro-phenyl-ethanone,1-acetyl-3-bromo-4-fluorobenzene,pubchem4100,acmc-1bol8,ksc499c8t
IUPAC Name 1-(3-bromo-4-fluorophenyl)ethan-1-one
InChI Key SZDWTGAORQQQGY-UHFFFAOYSA-N
Molecular Formula C8H6BrFO
7

Dibenzo-15-crown 5-Ether 95.0+%, TCI America™

CAS: 14262-60-3 Molecular Formula: C18H20O5 Molecular Weight (g/mol): 316.35 MDL Number: MFCD00055949 InChI Key: QSBFECWPKSRWNM-UHFFFAOYSA-N Synonym: dibenzo-15-crown-5,dibenzo-15-crown 5-ether,6,7,9,10,17,18-hexahydrodibenzo b,h 1,4,7,10,13 pentaoxacyclopentadecine,diabenzo-15-crown-5,dibenzo-15-crown-5-ether,23dibenzo15crown5ether,dibenzo-15-crown gc,5,6,7,8,9,10,11,16,17,18,19-undecahydrodibenzo a,g 15 annulene,dibenzo b,h 1,4,7,10,13 pentaoxacyclopentadecin,6,7,9,10,17,18-hexahydro,2,5,12,15,18-pentaoxatricyclo 17.4.0.0?, 1 1 tricosa-1 19 ,6,8,10,20,22-hexaene PubChem CID: 373245 IUPAC Name: 2,5,12,15,18-pentaoxatricyclo[17.4.0.0⁶,¹¹]tricosa-1(23),6,8,10,19,21-hexaene SMILES: C1COC2=CC=CC=C2OCCOC2=CC=CC=C2OCCO1

PubChem CID 373245
CAS 14262-60-3
Molecular Weight (g/mol) 316.35
MDL Number MFCD00055949
SMILES C1COC2=CC=CC=C2OCCOC2=CC=CC=C2OCCO1
Synonym dibenzo-15-crown-5,dibenzo-15-crown 5-ether,6,7,9,10,17,18-hexahydrodibenzo b,h 1,4,7,10,13 pentaoxacyclopentadecine,diabenzo-15-crown-5,dibenzo-15-crown-5-ether,23dibenzo15crown5ether,dibenzo-15-crown gc,5,6,7,8,9,10,11,16,17,18,19-undecahydrodibenzo a,g 15 annulene,dibenzo b,h 1,4,7,10,13 pentaoxacyclopentadecin,6,7,9,10,17,18-hexahydro,2,5,12,15,18-pentaoxatricyclo 17.4.0.0?, 1 1 tricosa-1 19 ,6,8,10,20,22-hexaene
IUPAC Name 2,5,12,15,18-pentaoxatricyclo[17.4.0.0⁶,¹¹]tricosa-1(23),6,8,10,19,21-hexaene
InChI Key QSBFECWPKSRWNM-UHFFFAOYSA-N
Molecular Formula C18H20O5
8

2,2,2-Trifluoro-3'-nitroacetophenone 98.0+%, TCI America™

CAS: 657-15-8 Molecular Formula: C8H4F3NO3 Molecular Weight (g/mol): 219.119 MDL Number: MFCD00034541 InChI Key: QADCNGZPRUSTJL-UHFFFAOYSA-N PubChem CID: 69566 IUPAC Name: 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F

PubChem CID 69566
CAS 657-15-8
Molecular Weight (g/mol) 219.119
MDL Number MFCD00034541
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F
IUPAC Name 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone
InChI Key QADCNGZPRUSTJL-UHFFFAOYSA-N
Molecular Formula C8H4F3NO3
9

2,3-Bis(hydroxymethyl)naphthalene 98.0+%, TCI America™

CAS: 31554-15-1 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.226 MDL Number: MFCD00191314 InChI Key: DTYJRRQQOLBRGH-UHFFFAOYSA-N PubChem CID: 598417 IUPAC Name: [3-(hydroxymethyl)naphthalen-2-yl]methanol SMILES: C1=CC=C2C=C(C(=CC2=C1)CO)CO

PubChem CID 598417
CAS 31554-15-1
Molecular Weight (g/mol) 188.226
MDL Number MFCD00191314
SMILES C1=CC=C2C=C(C(=CC2=C1)CO)CO
IUPAC Name [3-(hydroxymethyl)naphthalen-2-yl]methanol
InChI Key DTYJRRQQOLBRGH-UHFFFAOYSA-N
Molecular Formula C12H12O2
10

2-Acetylthiophene 98.0+%, TCI America™

CAS: 88-15-3 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.173 MDL Number: MFCD00005442 InChI Key: WYJOVVXUZNRJQY-UHFFFAOYSA-N Synonym: 2-acetylthiophene,1-2-thienyl ethanone,1-thiophen-2-yl-ethanone,methyl 2-thienyl ketone,2-acetothienone,2-acetothiophene,ethanone, 1-2-thienyl,2-acetyl thiophene,ketone, methyl 2-thienyl,2-thienyl methyl ketone PubChem CID: 6920 IUPAC Name: 1-thiophen-2-ylethanone SMILES: CC(=O)C1=CC=CS1

PubChem CID 6920
CAS 88-15-3
Molecular Weight (g/mol) 126.173
MDL Number MFCD00005442
SMILES CC(=O)C1=CC=CS1
Synonym 2-acetylthiophene,1-2-thienyl ethanone,1-thiophen-2-yl-ethanone,methyl 2-thienyl ketone,2-acetothienone,2-acetothiophene,ethanone, 1-2-thienyl,2-acetyl thiophene,ketone, methyl 2-thienyl,2-thienyl methyl ketone
IUPAC Name 1-thiophen-2-ylethanone
InChI Key WYJOVVXUZNRJQY-UHFFFAOYSA-N
Molecular Formula C6H6OS
11

2-Butyl-3-(4-hydroxybenzoyl)benzofuran 98.0+%, TCI America™

CAS: 52490-15-0 Molecular Formula: C19H18O3 Molecular Weight (g/mol): 294.35 MDL Number: MFCD00040947 InChI Key: ZHGKQUXXASLVQQ-UHFFFAOYSA-N PubChem CID: 96670 ChEBI: CHEBI:79569 IUPAC Name: 4-(2-butyl-1-benzofuran-3-carbonyl)phenol SMILES: CCCCC1=C(C(=O)C2=CC=C(O)C=C2)C2=CC=CC=C2O1

PubChem CID 96670
CAS 52490-15-0
Molecular Weight (g/mol) 294.35
ChEBI CHEBI:79569
MDL Number MFCD00040947
SMILES CCCCC1=C(C(=O)C2=CC=C(O)C=C2)C2=CC=CC=C2O1
IUPAC Name 4-(2-butyl-1-benzofuran-3-carbonyl)phenol
InChI Key ZHGKQUXXASLVQQ-UHFFFAOYSA-N
Molecular Formula C19H18O3
12

1,3,5-Cyclohexanetriol (cis- and trans- mixture) 95.0+%, TCI America™

CAS: 2041-15-8 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00043062,MFCD00070580 InChI Key: FSDSKERRNURGGO-UHFFFAOYSA-N PubChem CID: 230351 IUPAC Name: cyclohexane-1,3,5-triol SMILES: OC1CC(O)CC(O)C1

PubChem CID 230351
CAS 2041-15-8
Molecular Weight (g/mol) 132.16
MDL Number MFCD00043062,MFCD00070580
SMILES OC1CC(O)CC(O)C1
IUPAC Name cyclohexane-1,3,5-triol
InChI Key FSDSKERRNURGGO-UHFFFAOYSA-N
Molecular Formula C6H12O3
13

(S)-(+)-1,2-Propanediol 98.0+%, TCI America™

CAS: 4254-15-3 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 MDL Number: MFCD00004539 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYNA-N Synonym: s-+-1,2-propanediol,s-propane-1,2-diol,s-1,2-propanediol,2s-propane-1,2-diol,s-propylene glycol,s-+-propylene glycol,s-+-1,2-dihydroxypropane,propylene glycol #,pgo PubChem CID: 439846 ChEBI: CHEBI:29002 IUPAC Name: propane-1,2-diol SMILES: CC(O)CO

PubChem CID 439846
CAS 4254-15-3
Molecular Weight (g/mol) 76.10
ChEBI CHEBI:29002
MDL Number MFCD00004539
SMILES CC(O)CO
Synonym s-+-1,2-propanediol,s-propane-1,2-diol,s-1,2-propanediol,2s-propane-1,2-diol,s-propylene glycol,s-+-propylene glycol,s-+-1,2-dihydroxypropane,propylene glycol #,pgo
IUPAC Name propane-1,2-diol
InChI Key DNIAPMSPPWPWGF-UHFFFAOYNA-N
Molecular Formula C3H8O2
14

3,4-Dimethyl-1-pentyn-3-ol 96.0+%, TCI America™

CAS: 1482-15-1 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00039845 InChI Key: DZNLEQBXXLGELU-UHFFFAOYNA-N Synonym: 3,4-dimethyl-1-pentyn-3-ol,1-pentyn-3-ol, 3,4-dimethyl,acmc-1bzc3,2-isopropyl-3-butyne-2-ol,1-pentyn-3-ol,4-dimethyl,3,4-dimethyl-pent-1-yn-3-ol,dznleqbxxlgelu-uhfffaoysa,1-pentyn-3-ol,3,4-dimethyl,1,2-dimethyl-1-hydroxypropyl acetylene PubChem CID: 95483 IUPAC Name: 3,4-dimethylpent-1-yn-3-ol SMILES: CC(C)C(C)(O)C#C

PubChem CID 95483
CAS 1482-15-1
Molecular Weight (g/mol) 112.17
MDL Number MFCD00039845
SMILES CC(C)C(C)(O)C#C
Synonym 3,4-dimethyl-1-pentyn-3-ol,1-pentyn-3-ol, 3,4-dimethyl,acmc-1bzc3,2-isopropyl-3-butyne-2-ol,1-pentyn-3-ol,4-dimethyl,3,4-dimethyl-pent-1-yn-3-ol,dznleqbxxlgelu-uhfffaoysa,1-pentyn-3-ol,3,4-dimethyl,1,2-dimethyl-1-hydroxypropyl acetylene
IUPAC Name 3,4-dimethylpent-1-yn-3-ol
InChI Key DZNLEQBXXLGELU-UHFFFAOYNA-N
Molecular Formula C7H12O
15

(R)-4-(2-Hydroxyethyl)-2,2-diisopropyl-1,3-dioxolane 95.0+%, TCI America™

CAS: 1820574-15-9 Molecular Formula: C11H22O3 Molecular Weight (g/mol): 202.29 MDL Number: MFCD22041646 InChI Key: XFPZNMFFBDUEGH-UHFFFAOYNA-N Synonym: (R)-2-(2,2-Diisopropyl-1,3-dioxolan-4-yl)ethanol PubChem CID: 56973691 IUPAC Name: 2-[2,2-bis(propan-2-yl)-1,3-dioxolan-4-yl]ethan-1-ol SMILES: CC(C)C1(OCC(CCO)O1)C(C)C

PubChem CID 56973691
CAS 1820574-15-9
Molecular Weight (g/mol) 202.29
MDL Number MFCD22041646
SMILES CC(C)C1(OCC(CCO)O1)C(C)C
Synonym (R)-2-(2,2-Diisopropyl-1,3-dioxolan-4-yl)ethanol
IUPAC Name 2-[2,2-bis(propan-2-yl)-1,3-dioxolan-4-yl]ethan-1-ol
InChI Key XFPZNMFFBDUEGH-UHFFFAOYNA-N
Molecular Formula C11H22O3