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Organooxygen compounds

Organic compounds that contain one or more oxygen atoms.
Alcohols and polyols (7)
Enediols (9)
Carbonyl compounds (10)

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1

2-Methoxyethanol, ACS, 99.3+%

CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00002867 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 IUPAC Name: 2-methoxyethanol SMILES: COCCO

PubChem CID 8019
CAS 109-86-4
Molecular Weight (g/mol) 76.095
ChEBI CHEBI:46790
MDL Number MFCD00002867
SMILES COCCO
Synonym methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em
IUPAC Name 2-methoxyethanol
InChI Key XNWFRZJHXBZDAG-UHFFFAOYSA-N
Molecular Formula C3H8O2
3

1,3-Dioxolane, 99.5%, stab.

CAS: 646-06-0 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00003207 InChI Key: WNXJIVFYUVYPPR-UHFFFAOYSA-N Synonym: dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech PubChem CID: 12586 ChEBI: CHEBI:87597 IUPAC Name: 1,3-dioxolane SMILES: C1COCO1

PubChem CID 12586
CAS 646-06-0
Molecular Weight (g/mol) 74.079
ChEBI CHEBI:87597
MDL Number MFCD00003207
SMILES C1COCO1
Synonym dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech
IUPAC Name 1,3-dioxolane
InChI Key WNXJIVFYUVYPPR-UHFFFAOYSA-N
Molecular Formula C3H6O2
4

2-Quinoxalinecarbaldehyde, 97+%, Thermo Scientific™

CAS: 1593-08-4 Molecular Formula: C9H6N2O Molecular Weight (g/mol): 158.16 MDL Number: MFCD00272280 InChI Key: UJEHWLFUEQHEEZ-UHFFFAOYSA-N Synonym: 2-formylquinoxaline,2-quinoxalinecarbaldehyde,2-quinoxalinecarboxaldehyde,quinoxaline-2-carboxaldehyde,chinoxalin-2-aldehyd,pubchem21935,rarechem ak ml 0126,art-chem-bb b000386,quinoxalin-2-carboxaldehyde,2-quinoxaline-carboxaldehyde PubChem CID: 594088 IUPAC Name: quinoxaline-2-carbaldehyde SMILES: O=CC1=CN=C2C=CC=CC2=N1

PubChem CID 594088
CAS 1593-08-4
Molecular Weight (g/mol) 158.16
MDL Number MFCD00272280
SMILES O=CC1=CN=C2C=CC=CC2=N1
Synonym 2-formylquinoxaline,2-quinoxalinecarbaldehyde,2-quinoxalinecarboxaldehyde,quinoxaline-2-carboxaldehyde,chinoxalin-2-aldehyd,pubchem21935,rarechem ak ml 0126,art-chem-bb b000386,quinoxalin-2-carboxaldehyde,2-quinoxaline-carboxaldehyde
IUPAC Name quinoxaline-2-carbaldehyde
InChI Key UJEHWLFUEQHEEZ-UHFFFAOYSA-N
Molecular Formula C9H6N2O
5

Ethyl 3-ethoxypropionate, 99+%

CAS: 763-69-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.186 MDL Number: MFCD00051356 InChI Key: BHXIWUJLHYHGSJ-UHFFFAOYSA-N Synonym: ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove PubChem CID: 12989 IUPAC Name: ethyl 3-ethoxypropanoate SMILES: CCOCCC(=O)OCC

PubChem CID 12989
CAS 763-69-9
Molecular Weight (g/mol) 146.186
MDL Number MFCD00051356
SMILES CCOCCC(=O)OCC
Synonym ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove
IUPAC Name ethyl 3-ethoxypropanoate
InChI Key BHXIWUJLHYHGSJ-UHFFFAOYSA-N
Molecular Formula C7H14O3
6

Trimethyl orthoacetate, 98%

CAS: 1445-45-0 Molecular Formula: C5H12O3 Molecular Weight (g/mol): 120.148 MDL Number: MFCD00008477 InChI Key: HDPNBNXLBDFELL-UHFFFAOYSA-N Synonym: trimethyl orthoacetate,ethane, 1,1,1-trimethoxy,orthoacetic acid, trimethyl ester,methyl orthoacetate,orthoacetic acid trimethyl ester,ch3c och3 3,unii-04h7a3fk37,tmoa,trimethoxyethane,trimethyl-acetate PubChem CID: 15050 IUPAC Name: 1,1,1-trimethoxyethane SMILES: CC(OC)(OC)OC

PubChem CID 15050
CAS 1445-45-0
Molecular Weight (g/mol) 120.148
MDL Number MFCD00008477
SMILES CC(OC)(OC)OC
Synonym trimethyl orthoacetate,ethane, 1,1,1-trimethoxy,orthoacetic acid, trimethyl ester,methyl orthoacetate,orthoacetic acid trimethyl ester,ch3c och3 3,unii-04h7a3fk37,tmoa,trimethoxyethane,trimethyl-acetate
IUPAC Name 1,1,1-trimethoxyethane
InChI Key HDPNBNXLBDFELL-UHFFFAOYSA-N
Molecular Formula C5H12O3
7

Benzyl chloromethyl ether, tech. 70%

CAS: 3587-60-8 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00000886 InChI Key: LADPCMZCENPFGV-UHFFFAOYSA-N Synonym: benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl PubChem CID: 137983 IUPAC Name: chloromethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCl

PubChem CID 137983
CAS 3587-60-8
Molecular Weight (g/mol) 156.609
MDL Number MFCD00000886
SMILES C1=CC=C(C=C1)COCCl
Synonym benzyl chloromethyl ether,chloromethoxymethyl benzene,chloromethoxy methyl benzene,benzyloxymethyl chloride,chloromethoxymethyl-benzene,benzyl chloromethylether,benzene, chloromethoxy methyl
IUPAC Name chloromethoxymethylbenzene
InChI Key LADPCMZCENPFGV-UHFFFAOYSA-N
Molecular Formula C8H9ClO
8

Ethyl 3-phenylglycidate, cis + trans, 90+%

CAS: 121-39-1 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00005123 InChI Key: GOMAKLPNAAZVCJ-UHFFFAOYSA-N PubChem CID: 8469 IUPAC Name: ethyl 3-phenyloxirane-2-carboxylate SMILES: CCOC(=O)C1C(O1)C2=CC=CC=C2

PubChem CID 8469
CAS 121-39-1
Molecular Weight (g/mol) 192.214
MDL Number MFCD00005123
SMILES CCOC(=O)C1C(O1)C2=CC=CC=C2
IUPAC Name ethyl 3-phenyloxirane-2-carboxylate
InChI Key GOMAKLPNAAZVCJ-UHFFFAOYSA-N
Molecular Formula C11H12O3
9

tert-Butyl alcohol, anhydrous, 99.5%

CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00004464 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N Synonym: tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol PubChem CID: 6386 ChEBI: CHEBI:45895 IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O

PubChem CID 6386
CAS 75-65-0
Molecular Weight (g/mol) 74.123
ChEBI CHEBI:45895
MDL Number MFCD00004464
SMILES CC(C)(C)O
Synonym tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol
IUPAC Name 2-methylpropan-2-ol
InChI Key DKGAVHZHDRPRBM-UHFFFAOYSA-N
Molecular Formula C4H10O
10

tert-Butyl alcohol, ACS, 99+%

CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00004464 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N Synonym: tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol PubChem CID: 6386 ChEBI: CHEBI:45895 IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O

PubChem CID 6386
CAS 75-65-0
Molecular Weight (g/mol) 74.123
ChEBI CHEBI:45895
MDL Number MFCD00004464
SMILES CC(C)(C)O
Synonym tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol
IUPAC Name 2-methylpropan-2-ol
InChI Key DKGAVHZHDRPRBM-UHFFFAOYSA-N
Molecular Formula C4H10O
11

4-Methylcyclohexanol, cis + trans, 98%

CAS: 589-91-3 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00001449,MFCD00064171,MFCD00064170 InChI Key: MQWCXKGKQLNYQG-UHFFFAOYSA-N Synonym: 4-methylcyclohexanol,trans-4-methylcyclohexanol,cis-4-methylcyclohexanol,cyclohexanol, 4-methyl,1-methyl-4-cyclohexanol,cyclohexanol, 4-methyl-, trans,methyl cyclohexanol,p-methylcyclohexanol,cyclohexanol, 4-methyl-, cis,trans 4-methyl cyclohexanol PubChem CID: 11524 IUPAC Name: 4-methylcyclohexan-1-ol SMILES: CC1CCC(O)CC1

PubChem CID 11524
CAS 589-91-3
Molecular Weight (g/mol) 114.19
MDL Number MFCD00001449,MFCD00064171,MFCD00064170
SMILES CC1CCC(O)CC1
Synonym 4-methylcyclohexanol,trans-4-methylcyclohexanol,cis-4-methylcyclohexanol,cyclohexanol, 4-methyl,1-methyl-4-cyclohexanol,cyclohexanol, 4-methyl-, trans,methyl cyclohexanol,p-methylcyclohexanol,cyclohexanol, 4-methyl-, cis,trans 4-methyl cyclohexanol
IUPAC Name 4-methylcyclohexan-1-ol
InChI Key MQWCXKGKQLNYQG-UHFFFAOYSA-N
Molecular Formula C7H14O
12

Heptanal, 97%

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
13

tert-Butyl alcohol, anhydrous, 99.5%, packaged under Argon in resealable ChemSeal™ bottles

CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00004464 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N Synonym: tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol PubChem CID: 6386 ChEBI: CHEBI:45895 IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O

PubChem CID 6386
CAS 75-65-0
Molecular Weight (g/mol) 74.123
ChEBI CHEBI:45895
MDL Number MFCD00004464
SMILES CC(C)(C)O
Synonym tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol
IUPAC Name 2-methylpropan-2-ol
InChI Key DKGAVHZHDRPRBM-UHFFFAOYSA-N
Molecular Formula C4H10O
14

Tetrafluoroboric acid-diethyl ether complex, 50-55% w/w HBF4

CAS: 67969-82-8 Molecular Formula: C4H11BF4O Molecular Weight (g/mol): 161.935 MDL Number: MFCD00011345 InChI Key: XFHGDBFMJCLEOW-UHFFFAOYSA-N Synonym: fluoroboric acid diethyl ether complex,tetrafluoroboric acid diethyl ether complex,hbf4.oet2,fluoroboric acid diethylether complex,boron trifluoride diethyl ether hydrofluoride PubChem CID: 11344169 IUPAC Name: ethoxyethane;trifluoroborane;hydrofluoride SMILES: B(F)(F)F.CCOCC.F

PubChem CID 11344169
CAS 67969-82-8
Molecular Weight (g/mol) 161.935
MDL Number MFCD00011345
SMILES B(F)(F)F.CCOCC.F
Synonym fluoroboric acid diethyl ether complex,tetrafluoroboric acid diethyl ether complex,hbf4.oet2,fluoroboric acid diethylether complex,boron trifluoride diethyl ether hydrofluoride
IUPAC Name ethoxyethane;trifluoroborane;hydrofluoride
InChI Key XFHGDBFMJCLEOW-UHFFFAOYSA-N
Molecular Formula C4H11BF4O
15

1-Pentanol, ACS, 98+%

CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N Synonym: 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol PubChem CID: 6276 ChEBI: CHEBI:44884 IUPAC Name: pentan-1-ol SMILES: CCCCCO

PubChem CID 6276
CAS 71-41-0
Molecular Weight (g/mol) 88.15
ChEBI CHEBI:44884
MDL Number MFCD00002977,MFCD00081734,MFCD01075169
SMILES CCCCCO
Synonym 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol
IUPAC Name pentan-1-ol
InChI Key AMQJEAYHLZJPGS-UHFFFAOYSA-N
Molecular Formula C5H12O