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Organooxygen compounds

Organic compounds that contain one or more oxygen atoms.
Carbonyl compounds (24)
Alcohols and polyols (8)
Enediols (7)

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1

3-Bromo-1-propanol, 92%

CAS: 627-18-9 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.99 MDL Number: MFCD00002942 InChI Key: RQFUZUMFPRMVDX-UHFFFAOYSA-N Synonym: 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh PubChem CID: 12308 IUPAC Name: 3-bromopropan-1-ol SMILES: OCCCBr

PubChem CID 12308
CAS 627-18-9
Molecular Weight (g/mol) 138.99
MDL Number MFCD00002942
SMILES OCCCBr
Synonym 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh
IUPAC Name 3-bromopropan-1-ol
InChI Key RQFUZUMFPRMVDX-UHFFFAOYSA-N
Molecular Formula C3H7BrO
2

3-Hydroxy-3-methyl-2-butanone, 92%

CAS: 115-22-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00004460 InChI Key: BNDRWEVUODOUDW-UHFFFAOYSA-N Synonym: 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone PubChem CID: 8261 IUPAC Name: 3-hydroxy-3-methylbutan-2-one SMILES: CC(=O)C(C)(C)O

PubChem CID 8261
CAS 115-22-0
Molecular Weight (g/mol) 102.13
MDL Number MFCD00004460
SMILES CC(=O)C(C)(C)O
Synonym 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone
IUPAC Name 3-hydroxy-3-methylbutan-2-one
InChI Key BNDRWEVUODOUDW-UHFFFAOYSA-N
Molecular Formula C5H10O2
3

3-Methoxythiophene 98.0+%, TCI America™

CAS: 17573-92-1 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.162 MDL Number: MFCD00043894 InChI Key: RFSKGCVUDQRZSD-UHFFFAOYSA-N Synonym: thiophene, 3-methoxy,3-methoxy-thiophene,pubchem8863,acmc-1bow6,3-methoxythiophene,ksc491i4p,bidd:gt0411 PubChem CID: 140249 IUPAC Name: 3-methoxythiophene SMILES: COC1=CSC=C1

PubChem CID 140249
CAS 17573-92-1
Molecular Weight (g/mol) 114.162
MDL Number MFCD00043894
SMILES COC1=CSC=C1
Synonym thiophene, 3-methoxy,3-methoxy-thiophene,pubchem8863,acmc-1bow6,3-methoxythiophene,ksc491i4p,bidd:gt0411
IUPAC Name 3-methoxythiophene
InChI Key RFSKGCVUDQRZSD-UHFFFAOYSA-N
Molecular Formula C5H6OS
4

tert-Butyl Ethyl Ether 95.0+%, TCI America™

CAS: 637-92-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00009225 InChI Key: NUMQCACRALPSHD-UHFFFAOYSA-N Synonym: tert-butyl ethyl ether,ethyl tert-butyl ether,etbe,propane, 2-ethoxy-2-methyl,ethyl tert-butyl oxide,ether, tert-butyl ethyl,2-methyl-2-ethoxypropane,ethyl t-butyl ether,tert-butylethylether,methyl-2-ethoxypropane PubChem CID: 12512 IUPAC Name: 2-ethoxy-2-methylpropane SMILES: CCOC(C)(C)C

PubChem CID 12512
CAS 637-92-3
Molecular Weight (g/mol) 102.18
MDL Number MFCD00009225
SMILES CCOC(C)(C)C
Synonym tert-butyl ethyl ether,ethyl tert-butyl ether,etbe,propane, 2-ethoxy-2-methyl,ethyl tert-butyl oxide,ether, tert-butyl ethyl,2-methyl-2-ethoxypropane,ethyl t-butyl ether,tert-butylethylether,methyl-2-ethoxypropane
IUPAC Name 2-ethoxy-2-methylpropane
InChI Key NUMQCACRALPSHD-UHFFFAOYSA-N
Molecular Formula C6H14O
5

4'-Aminoacetophenone 98.0+%, TCI America™

CAS: 99-92-3 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007896 InChI Key: GPRYKVSEZCQIHD-UHFFFAOYSA-N Synonym: 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino PubChem CID: 7468 IUPAC Name: 1-(4-aminophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(N)C=C1

PubChem CID 7468
CAS 99-92-3
Molecular Weight (g/mol) 135.17
MDL Number MFCD00007896
SMILES CC(=O)C1=CC=C(N)C=C1
Synonym 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino
IUPAC Name 1-(4-aminophenyl)ethan-1-one
InChI Key GPRYKVSEZCQIHD-UHFFFAOYSA-N
Molecular Formula C8H9NO
6

3-Thiophenemalonic Acid 98.0+%, TCI America™

CAS: 21080-92-2 Molecular Formula: C7H4O4S Molecular Weight (g/mol): 184.17 MDL Number: MFCD00005469 InChI Key: GCOOGCQWQFRJEK-UHFFFAOYSA-L Synonym: 3-thiophenemalonic acid,3-thienylmalonic acid,2-thiophen-3-yl malonic acid,propanedioic acid, 3-thienyl,3-thiophene malonic acid,3-thienylpropanedioic acid,3-thienyl malonic acid,thiophene-3-malonic acid,2-3-thienyl malonic acid,2-3-thienyl propanedioic acid PubChem CID: 88782 IUPAC Name: 2-(thiophen-3-yl)propanedioate SMILES: [O-]C(=O)C(C([O-])=O)C1=CSC=C1

PubChem CID 88782
CAS 21080-92-2
Molecular Weight (g/mol) 184.17
MDL Number MFCD00005469
SMILES [O-]C(=O)C(C([O-])=O)C1=CSC=C1
Synonym 3-thiophenemalonic acid,3-thienylmalonic acid,2-thiophen-3-yl malonic acid,propanedioic acid, 3-thienyl,3-thiophene malonic acid,3-thienylpropanedioic acid,3-thienyl malonic acid,thiophene-3-malonic acid,2-3-thienyl malonic acid,2-3-thienyl propanedioic acid
IUPAC Name 2-(thiophen-3-yl)propanedioate
InChI Key GCOOGCQWQFRJEK-UHFFFAOYSA-L
Molecular Formula C7H4O4S
7

2-Acetyl-3-ethylpyrazine 98.0+%, TCI America™

CAS: 32974-92-8 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00038028 InChI Key: PPJSYGVFDJEMRP-UHFFFAOYSA-N Synonym: 2-acetyl-3-ethylpyrazine,1-3-ethylpyrazin-2-yl ethanone,ethanone, 1-3-ethylpyrazinyl,2-acetyl-3-ethyl-1,4-diazine,1-3-ethylpyrazinyl ethan-1-one,unii-aq03n14xtl,1-3-ethylpyrazinyl ethanone,1-3-ethyl-2-pyrazinyl ethanone,3-ethyl-2-acetylpyrazine,2-acetyl-3-ethyl pyrazine PubChem CID: 61918 IUPAC Name: 1-(3-ethylpyrazin-2-yl)ethanone SMILES: CCC1=NC=CN=C1C(=O)C

PubChem CID 61918
CAS 32974-92-8
Molecular Weight (g/mol) 150.181
MDL Number MFCD00038028
SMILES CCC1=NC=CN=C1C(=O)C
Synonym 2-acetyl-3-ethylpyrazine,1-3-ethylpyrazin-2-yl ethanone,ethanone, 1-3-ethylpyrazinyl,2-acetyl-3-ethyl-1,4-diazine,1-3-ethylpyrazinyl ethan-1-one,unii-aq03n14xtl,1-3-ethylpyrazinyl ethanone,1-3-ethyl-2-pyrazinyl ethanone,3-ethyl-2-acetylpyrazine,2-acetyl-3-ethyl pyrazine
IUPAC Name 1-(3-ethylpyrazin-2-yl)ethanone
InChI Key PPJSYGVFDJEMRP-UHFFFAOYSA-N
Molecular Formula C8H10N2O
8

Ethyl 3-Cyclohexyl-3-oxopropionate 98.0+%, TCI America™

CAS: 15971-92-3 Molecular Formula: C11H18O3 Molecular Weight (g/mol): 198.262 MDL Number: MFCD04115574 InChI Key: ASYASKBLHYSMEG-UHFFFAOYSA-N Synonym: 3-Cyclohexyl-3-oxopropionic Acid Ethyl Ester PubChem CID: 266327 IUPAC Name: ethyl 3-cyclohexyl-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1CCCCC1

PubChem CID 266327
CAS 15971-92-3
Molecular Weight (g/mol) 198.262
MDL Number MFCD04115574
SMILES CCOC(=O)CC(=O)C1CCCCC1
Synonym 3-Cyclohexyl-3-oxopropionic Acid Ethyl Ester
IUPAC Name ethyl 3-cyclohexyl-3-oxopropanoate
InChI Key ASYASKBLHYSMEG-UHFFFAOYSA-N
Molecular Formula C11H18O3
9

6-Chloroisatin 98.0+%, TCI America™

CAS: 6341-92-0 Molecular Formula: C8H4ClNO2 Molecular Weight (g/mol): 181.575 InChI Key: RVXLBLSGEPQBIO-UHFFFAOYSA-N Synonym: 6-Chloroindole-2,3-dione, 6-Chloro-2,3-indolinedione PubChem CID: 241331 IUPAC Name: 6-chloro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1Cl)NC(=O)C2=O

PubChem CID 241331
CAS 6341-92-0
Molecular Weight (g/mol) 181.575
SMILES C1=CC2=C(C=C1Cl)NC(=O)C2=O
Synonym 6-Chloroindole-2,3-dione, 6-Chloro-2,3-indolinedione
IUPAC Name 6-chloro-1H-indole-2,3-dione
InChI Key RVXLBLSGEPQBIO-UHFFFAOYSA-N
Molecular Formula C8H4ClNO2
10

2,3,4-Trimethyl-3-pentanol 98.0+%, TCI America™

CAS: 3054-92-0 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00048319 InChI Key: PLSMHHUFDLYURK-UHFFFAOYSA-N Synonym: 2,3,4-trimethyl-3-pentanol,1,1-diisopropylethanol,3-pentanol, 2,3,4-trimethyl,diisopropylmethylcarbinol,unii-e7oyt9fj8f,e7oyt9fj8f,fema no. 3903,2,3,4-trimethyl-3-pentanol fhfi,acmc-1cqn4,2,3,4-trimethyl-pentan-3-ol PubChem CID: 520484 IUPAC Name: 2,3,4-trimethylpentan-3-ol SMILES: CC(C)C(C)(C(C)C)O

PubChem CID 520484
CAS 3054-92-0
Molecular Weight (g/mol) 130.231
MDL Number MFCD00048319
SMILES CC(C)C(C)(C(C)C)O
Synonym 2,3,4-trimethyl-3-pentanol,1,1-diisopropylethanol,3-pentanol, 2,3,4-trimethyl,diisopropylmethylcarbinol,unii-e7oyt9fj8f,e7oyt9fj8f,fema no. 3903,2,3,4-trimethyl-3-pentanol fhfi,acmc-1cqn4,2,3,4-trimethyl-pentan-3-ol
IUPAC Name 2,3,4-trimethylpentan-3-ol
InChI Key PLSMHHUFDLYURK-UHFFFAOYSA-N
Molecular Formula C8H18O
11

1,1,1,2,2,3,4,5,5,5-Decafluoro-3-methoxy-4-(trifluoromethyl)pentane 98.0+%, TCI America™

CAS: 132182-92-4 Molecular Formula: C7H3F13O Molecular Weight (g/mol): 350.079 MDL Number: MFCD07784227 InChI Key: QKAGYSDHEJITFV-UHFFFAOYSA-N PubChem CID: 14689855 IUPAC Name: 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane SMILES: COC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F

PubChem CID 14689855
CAS 132182-92-4
Molecular Weight (g/mol) 350.079
MDL Number MFCD07784227
SMILES COC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F
IUPAC Name 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane
InChI Key QKAGYSDHEJITFV-UHFFFAOYSA-N
Molecular Formula C7H3F13O
12

3',5'-Dichloro-2'-hydroxyacetophenone 98.0+%, TCI America™

CAS: 3321-92-4 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00016417 InChI Key: CJFYGRLJDKWMDI-UHFFFAOYSA-N Synonym: 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol PubChem CID: 520608 IUPAC Name: 1-(3,5-dichloro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)Cl)Cl

PubChem CID 520608
CAS 3321-92-4
Molecular Weight (g/mol) 205.034
MDL Number MFCD00016417
SMILES CC(=O)C1=CC(=CC(=C1O)Cl)Cl
Synonym 1-3,5-dichloro-2-hydroxyphenyl ethanone,3',5'-dichloro-2'-hydroxyacetophenone,3,5-dichloro-2-hydroxyacetophenone,1-3,5-dichloro-2-hydroxyphenyl ethan-1-one,2-acetyl-4,6-dichlorophenol,2'-hydroxy-3',5'-dichloroacetophenone,ethanone, 1-3,5-dichloro-2-hydroxyphenyl,1-acetyl-3,5-dichloro-2-hydroxybenzene,acmc-1cq4k,4,6-dichloro-2-acetylphenol
IUPAC Name 1-(3,5-dichloro-2-hydroxyphenyl)ethanone
InChI Key CJFYGRLJDKWMDI-UHFFFAOYSA-N
Molecular Formula C8H6Cl2O2
13

Pentaerythritol Tribromide 98.0+%, TCI America™

CAS: 1522-92-5 Molecular Formula: C5H9Br3O Molecular Weight (g/mol): 324.838 MDL Number: MFCD00021982 InChI Key: QEJPOEGPNIVDMK-UHFFFAOYSA-N Synonym: 3-Bromo-2,2-bis(bromomethyl)-1-propanol, Tribromoneopentyl Alcohol, 2,2,2-Tris(bromomethyl)ethanol PubChem CID: 15206 IUPAC Name: 3-bromo-2,2-bis(bromomethyl)propan-1-ol SMILES: C(C(CBr)(CBr)CBr)O

PubChem CID 15206
CAS 1522-92-5
Molecular Weight (g/mol) 324.838
MDL Number MFCD00021982
SMILES C(C(CBr)(CBr)CBr)O
Synonym 3-Bromo-2,2-bis(bromomethyl)-1-propanol, Tribromoneopentyl Alcohol, 2,2,2-Tris(bromomethyl)ethanol
IUPAC Name 3-bromo-2,2-bis(bromomethyl)propan-1-ol
InChI Key QEJPOEGPNIVDMK-UHFFFAOYSA-N
Molecular Formula C5H9Br3O
14

eMolecules​ 2,3,4-Trimethyl-3-pentanol | 3054-92-0 | MFCD00048319 | 5g

Combi-Blocks, Inc. | 2,3,4-Trimethyl-3-pentanol | 5g | 603152630 | QD-3200 | 95.000 | 3054-92-0 | MFCD00048319 | 130.231 | C8H18O

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15

eMolecules​ 5-Methoxy-1-indanone-3-acetic acid | 24467-92-3 | MFCD00003787 | 1g

Combi-Blocks, Inc. | 5-Methoxy-1-indanone-3-acetic acid | 1g | 603152146 | QB-6387 | 95.000 | 24467-92-3 | MFCD00003787 | 220.224 | C12H12O4

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ENCOMPASS_PREFERRED