Organooxygen compounds
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alpha,alpha,alpha-Trifluoroacetophenone, 99%
CAS: 434-45-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00000420 InChI Key: KZJRKRQSDZGHEC-UHFFFAOYSA-N Synonym: trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 PubChem CID: 9905 IUPAC Name: 2,2,2-trifluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 9905 |
|---|---|
| CAS | 434-45-7 |
| Molecular Weight (g/mol) | 174.12 |
| MDL Number | MFCD00000420 |
| SMILES | C1=CC=C(C=C1)C(=O)C(F)(F)F |
| Synonym | trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 |
| IUPAC Name | 2,2,2-trifluoro-1-phenylethanone |
| InChI Key | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
(S)-(+)-Phenyl-1,2-ethanediol, 97%
CAS: 25779-13-9 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00066256 InChI Key: PWMWNFMRSKOCEY-MRVPVSSYSA-N Synonym: s-+-1-phenyl-1,2-ethanediol,s-1-phenylethane-1,2-diol,1s-1-phenylethane-1,2-diol,s-+-1-phenylethane-1,2-diol,s-1-phenyl-1,2-ethanediol,unii-8ib2t1ft6b,8ib2t1ft6b,1,2-ethanediol, 1-phenyl-, 1s,styrene glycol, +,r---phenylethylene glycol PubChem CID: 643312 IUPAC Name: (1S)-1-phenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(CO)O
| PubChem CID | 643312 |
|---|---|
| CAS | 25779-13-9 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00066256 |
| SMILES | C1=CC=C(C=C1)C(CO)O |
| Synonym | s-+-1-phenyl-1,2-ethanediol,s-1-phenylethane-1,2-diol,1s-1-phenylethane-1,2-diol,s-+-1-phenylethane-1,2-diol,s-1-phenyl-1,2-ethanediol,unii-8ib2t1ft6b,8ib2t1ft6b,1,2-ethanediol, 1-phenyl-, 1s,styrene glycol, +,r---phenylethylene glycol |
| IUPAC Name | (1S)-1-phenylethane-1,2-diol |
| InChI Key | PWMWNFMRSKOCEY-MRVPVSSYSA-N |
| Molecular Formula | C8H10O2 |
3-Phenyl-1-propanol, 99%
CAS: 122-97-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002950 InChI Key: VAJVDSVGBWFCLW-UHFFFAOYSA-N Synonym: 3-phenyl-1-propanol,benzenepropanol,hydrocinnamyl alcohol,3-phenylpropyl alcohol,3-phenylpropanol,3-benzenepropanol,phenylpropyl alcohol,hydrocinnamic alcohol,3-phenyl-n-propanol,3-hydroxypropyl benzene PubChem CID: 31234 IUPAC Name: 3-phenylpropan-1-ol SMILES: C1=CC=C(C=C1)CCCO
| PubChem CID | 31234 |
|---|---|
| CAS | 122-97-4 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00002950 |
| SMILES | C1=CC=C(C=C1)CCCO |
| Synonym | 3-phenyl-1-propanol,benzenepropanol,hydrocinnamyl alcohol,3-phenylpropyl alcohol,3-phenylpropanol,3-benzenepropanol,phenylpropyl alcohol,hydrocinnamic alcohol,3-phenyl-n-propanol,3-hydroxypropyl benzene |
| IUPAC Name | 3-phenylpropan-1-ol |
| InChI Key | VAJVDSVGBWFCLW-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
1,5-Pentanediol, 97%
CAS: 111-29-5 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00002978 InChI Key: ALQSHHUCVQOPAS-UHFFFAOYSA-N Synonym: 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol PubChem CID: 8105 IUPAC Name: pentane-1,5-diol SMILES: OCCCCCO
| PubChem CID | 8105 |
|---|---|
| CAS | 111-29-5 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00002978 |
| SMILES | OCCCCCO |
| Synonym | 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol |
| IUPAC Name | pentane-1,5-diol |
| InChI Key | ALQSHHUCVQOPAS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
Benzyl acetoacetate, 97%
CAS: 5396-89-4 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00008785 InChI Key: WOFAGNLBCJWEOE-UHFFFAOYSA-N Synonym: benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 142266 |
|---|---|
| CAS | 5396-89-4 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00008785 |
| SMILES | CC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x |
| IUPAC Name | benzyl 3-oxobutanoate |
| InChI Key | WOFAGNLBCJWEOE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
3,5-Dihydroxybenzaldehyde, 98%
CAS: 26153-38-8 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00016611 InChI Key: HAQLHRYUDBKTJG-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde PubChem CID: 94365 ChEBI: CHEBI:50204 IUPAC Name: 3,5-dihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1
| PubChem CID | 94365 |
|---|---|
| CAS | 26153-38-8 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:50204 |
| MDL Number | MFCD00016611 |
| SMILES | OC1=CC(C=O)=CC(O)=C1 |
| Synonym | benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde |
| IUPAC Name | 3,5-dihydroxybenzaldehyde |
| InChI Key | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
4-Methylmorpholine N-oxide monohydrate, 98+%
CAS: 70187-32-5 Molecular Formula: C5H13NO3 Molecular Weight (g/mol): 135.163 MDL Number: MFCD00149388 InChI Key: WAZPLXZGZWWXDQ-UHFFFAOYSA-N Synonym: 4-methylmorpholine n-oxide monohydrate,4-methylmorpholine 4-oxide hydrate,4-methylmorpholine n-oxide hydrate,4-methylmorpholine 4-oxide xhydrate,unii-087wu2ftq5,n-methylmorpholine n-oxide monohydrate,n-methylmorpholine n-oxide hydrate,n-methylmorpholine-n-oxide monohydrate,4-methyl-4-oxidomorpholin-4-ium hydrate,morpholine, 4-methyl-, 4-oxide, hydrate PubChem CID: 2724197 IUPAC Name: 4-methyl-4-oxidomorpholin-4-ium;hydrate SMILES: C[N+]1(CCOCC1)[O-].O
| PubChem CID | 2724197 |
|---|---|
| CAS | 70187-32-5 |
| Molecular Weight (g/mol) | 135.163 |
| MDL Number | MFCD00149388 |
| SMILES | C[N+]1(CCOCC1)[O-].O |
| Synonym | 4-methylmorpholine n-oxide monohydrate,4-methylmorpholine 4-oxide hydrate,4-methylmorpholine n-oxide hydrate,4-methylmorpholine 4-oxide xhydrate,unii-087wu2ftq5,n-methylmorpholine n-oxide monohydrate,n-methylmorpholine n-oxide hydrate,n-methylmorpholine-n-oxide monohydrate,4-methyl-4-oxidomorpholin-4-ium hydrate,morpholine, 4-methyl-, 4-oxide, hydrate |
| IUPAC Name | 4-methyl-4-oxidomorpholin-4-ium;hydrate |
| InChI Key | WAZPLXZGZWWXDQ-UHFFFAOYSA-N |
| Molecular Formula | C5H13NO3 |
4-Hydroxy-4-methyl-2-pentanone, 98+%
CAS: 123-42-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004471 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O
| PubChem CID | 31256 |
|---|---|
| CAS | 123-42-2 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:55381 |
| MDL Number | MFCD00004471 |
| SMILES | CC(=O)CC(C)(C)O |
| Synonym | diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one |
| IUPAC Name | 4-hydroxy-4-methylpentan-2-one |
| InChI Key | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Oleyl alcohol, tech. 80-85%, Thermo Scientific Chemicals
CAS: 143-28-2 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.49 MDL Number: MFCD00002993 InChI Key: ALSTYHKOOCGGFT-KTKRTIGZSA-N Synonym: oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol PubChem CID: 5284499 ChEBI: CHEBI:73504 IUPAC Name: (9Z)-octadec-9-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCO
| PubChem CID | 5284499 |
|---|---|
| CAS | 143-28-2 |
| Molecular Weight (g/mol) | 268.49 |
| ChEBI | CHEBI:73504 |
| MDL Number | MFCD00002993 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCO |
| Synonym | oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol |
| IUPAC Name | (9Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
2-Methylbutyraldehyde, 95%
CAS: 96-17-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006984 InChI Key: BYGQBDHUGHBGMD-UHFFFAOYNA-N Synonym: 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal PubChem CID: 7284 ChEBI: CHEBI:16182 IUPAC Name: 2-methylbutanal SMILES: CCC(C)C=O
| PubChem CID | 7284 |
|---|---|
| CAS | 96-17-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16182 |
| MDL Number | MFCD00006984 |
| SMILES | CCC(C)C=O |
| Synonym | 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal |
| IUPAC Name | 2-methylbutanal |
| InChI Key | BYGQBDHUGHBGMD-UHFFFAOYNA-N |
| Molecular Formula | C5H10O |
3-Pentyn-1-ol, 98%
CAS: 10229-10-4 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00002956 InChI Key: IDYNOORNKYEHHO-UHFFFAOYSA-N Synonym: 3-pentyn-1-ol,3-pentynol,acmc-1bxad PubChem CID: 66295 IUPAC Name: pent-3-yn-1-ol SMILES: CC#CCCO
| PubChem CID | 66295 |
|---|---|
| CAS | 10229-10-4 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00002956 |
| SMILES | CC#CCCO |
| Synonym | 3-pentyn-1-ol,3-pentynol,acmc-1bxad |
| IUPAC Name | pent-3-yn-1-ol |
| InChI Key | IDYNOORNKYEHHO-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
2,3-Hexanedione, 94%
CAS: 3848-24-6 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00009398 InChI Key: MWVFCEVNXHTDNF-UHFFFAOYSA-N Synonym: 2,3-hexanedione,acetylbutyryl,acetyl butyryl,methyl propyl diketone,butyryl acetyl,hexanedione,unii-559anr3nvs,2,3-hexandione,fema no. 2558,559anr3nvs PubChem CID: 19707 ChEBI: CHEBI:87583 IUPAC Name: hexane-2,3-dione SMILES: CCCC(=O)C(C)=O
| PubChem CID | 19707 |
|---|---|
| CAS | 3848-24-6 |
| Molecular Weight (g/mol) | 114.14 |
| ChEBI | CHEBI:87583 |
| MDL Number | MFCD00009398 |
| SMILES | CCCC(=O)C(C)=O |
| Synonym | 2,3-hexanedione,acetylbutyryl,acetyl butyryl,methyl propyl diketone,butyryl acetyl,hexanedione,unii-559anr3nvs,2,3-hexandione,fema no. 2558,559anr3nvs |
| IUPAC Name | hexane-2,3-dione |
| InChI Key | MWVFCEVNXHTDNF-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
1-Pentadecanol, 99%
CAS: 629-76-5 Molecular Formula: C15H32O Molecular Weight (g/mol): 228.42 MDL Number: MFCD00004759 InChI Key: REIUXOLGHVXAEO-UHFFFAOYSA-N Synonym: 1-pentadecanol,pentadecyl alcohol,pentadecanol,n-pentadecanol,n-1-pentadecanol,neodol 5,unii-333qva4g2q,dsstox_cid_7270,dsstox_rid_78381,dsstox_gsid_27270 PubChem CID: 12397 ChEBI: CHEBI:77468 IUPAC Name: pentadecan-1-ol SMILES: CCCCCCCCCCCCCCCO
| PubChem CID | 12397 |
|---|---|
| CAS | 629-76-5 |
| Molecular Weight (g/mol) | 228.42 |
| ChEBI | CHEBI:77468 |
| MDL Number | MFCD00004759 |
| SMILES | CCCCCCCCCCCCCCCO |
| Synonym | 1-pentadecanol,pentadecyl alcohol,pentadecanol,n-pentadecanol,n-1-pentadecanol,neodol 5,unii-333qva4g2q,dsstox_cid_7270,dsstox_rid_78381,dsstox_gsid_27270 |
| IUPAC Name | pentadecan-1-ol |
| InChI Key | REIUXOLGHVXAEO-UHFFFAOYSA-N |
| Molecular Formula | C15H32O |
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol, 98%
CAS: 1515-14-6 Molecular Formula: C4H4F6O Molecular Weight (g/mol): 182.07 MDL Number: MFCD00039259 InChI Key: FQDXJYBXPOMIBX-UHFFFAOYSA-N Synonym: hexafluoro-2-methylisopropanol,1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol,2-propanol, 1,1,1,3,3,3-hexafluoro-2-methyl,hexafluoro-tert-butanol,cf3 2mecoh,1,1,1,3,3,3-hexafluoro-2-methylisopropanol,methylbistrifluoromethylmethanol,cf3 2c oh ch3,fqdxjybxpomibx-uhfffaoysa,hexafluoro-3-methylisopropanol PubChem CID: 73936 IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol SMILES: CC(O)(C(F)(F)F)C(F)(F)F
| PubChem CID | 73936 |
|---|---|
| CAS | 1515-14-6 |
| Molecular Weight (g/mol) | 182.07 |
| MDL Number | MFCD00039259 |
| SMILES | CC(O)(C(F)(F)F)C(F)(F)F |
| Synonym | hexafluoro-2-methylisopropanol,1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol,2-propanol, 1,1,1,3,3,3-hexafluoro-2-methyl,hexafluoro-tert-butanol,cf3 2mecoh,1,1,1,3,3,3-hexafluoro-2-methylisopropanol,methylbistrifluoromethylmethanol,cf3 2c oh ch3,fqdxjybxpomibx-uhfffaoysa,hexafluoro-3-methylisopropanol |
| IUPAC Name | 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol |
| InChI Key | FQDXJYBXPOMIBX-UHFFFAOYSA-N |
| Molecular Formula | C4H4F6O |
trans,trans-2,4-Dodecadienal, 90+%, remainder mainly trans, cis isomer
CAS: 21662-16-8 Molecular Formula: C12H20O Molecular Weight (g/mol): 180.29 MDL Number: MFCD00014678 InChI Key: QKTZBZWNADPFOL-BNFZFUHLSA-N Synonym: 2e,4e-dodeca-2,4-dienal,2,4-dodecadienal,e,e-2,4-dodecadienal,trans,trans-2,4-dodecadienal,2,4-dodecadien-1-al,2e,4e-2,4-dodecadienal,e,e-2,4-dodecadien-1-al,2,4-dodecadienal, e,e,unii-vo340rj9lu PubChem CID: 5367530 IUPAC Name: (2E,4E)-dodeca-2,4-dienal SMILES: CCCCCCC\C=C\C=C\C=O
| PubChem CID | 5367530 |
|---|---|
| CAS | 21662-16-8 |
| Molecular Weight (g/mol) | 180.29 |
| MDL Number | MFCD00014678 |
| SMILES | CCCCCCC\C=C\C=C\C=O |
| Synonym | 2e,4e-dodeca-2,4-dienal,2,4-dodecadienal,e,e-2,4-dodecadienal,trans,trans-2,4-dodecadienal,2,4-dodecadien-1-al,2e,4e-2,4-dodecadienal,e,e-2,4-dodecadien-1-al,2,4-dodecadienal, e,e,unii-vo340rj9lu |
| IUPAC Name | (2E,4E)-dodeca-2,4-dienal |
| InChI Key | QKTZBZWNADPFOL-BNFZFUHLSA-N |
| Molecular Formula | C12H20O |