Organooxygen compounds
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Crotonaldehyde, predominantly trans, 98+%
CAS: 4170-30-3 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.091 MDL Number: MFCD00007003 InChI Key: MLUCVPSAIODCQM-NSCUHMNNSA-N Synonym: crotonaldehyde,2-butenal,crotylaldehyde,crotonal,2e-but-2-enal,trans-crotonaldehyde,e-crotonaldehyde,crotonic aldehyde,1-formylpropene,trans-2-butenal PubChem CID: 447466 ChEBI: CHEBI:41607 IUPAC Name: (E)-but-2-enal SMILES: CC=CC=O
| PubChem CID | 447466 |
|---|---|
| CAS | 4170-30-3 |
| Molecular Weight (g/mol) | 70.091 |
| ChEBI | CHEBI:41607 |
| MDL Number | MFCD00007003 |
| SMILES | CC=CC=O |
| Synonym | crotonaldehyde,2-butenal,crotylaldehyde,crotonal,2e-but-2-enal,trans-crotonaldehyde,e-crotonaldehyde,crotonic aldehyde,1-formylpropene,trans-2-butenal |
| IUPAC Name | (E)-but-2-enal |
| InChI Key | MLUCVPSAIODCQM-NSCUHMNNSA-N |
| Molecular Formula | C4H6O |
3-Methyl-2-butenal, 97%
CAS: 107-86-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00010291 InChI Key: SEPQTYODOKLVSB-UHFFFAOYSA-N Synonym: 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde PubChem CID: 61020 ChEBI: CHEBI:15825 IUPAC Name: 3-methylbut-2-enal SMILES: CC(=CC=O)C
| PubChem CID | 61020 |
|---|---|
| CAS | 107-86-8 |
| Molecular Weight (g/mol) | 84.118 |
| ChEBI | CHEBI:15825 |
| MDL Number | MFCD00010291 |
| SMILES | CC(=CC=O)C |
| Synonym | 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde |
| IUPAC Name | 3-methylbut-2-enal |
| InChI Key | SEPQTYODOKLVSB-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)ytterbium(III), 99% (metals basis)
CAS: 18323-96-1 Molecular Formula: C30H30F21O6Yb Molecular Weight (g/mol): 1058.584 MDL Number: MFCD00044289 InChI Key: KZBQCXBCJMHJOB-VNGPFPIXSA-K Synonym: tris 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato ytterbium,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione; ytterbium 3+,z-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate; ytterbium 3+ PubChem CID: 6510275 IUPAC Name: (Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate;ytterbium(3+) SMILES: CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].[Yb+3]
| PubChem CID | 6510275 |
|---|---|
| CAS | 18323-96-1 |
| Molecular Weight (g/mol) | 1058.584 |
| MDL Number | MFCD00044289 |
| SMILES | CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].[Yb+3] |
| Synonym | tris 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato ytterbium,6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione; ytterbium 3+,z-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate; ytterbium 3+ |
| IUPAC Name | (Z)-6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-5-oxooct-3-en-3-olate;ytterbium(3+) |
| InChI Key | KZBQCXBCJMHJOB-VNGPFPIXSA-K |
| Molecular Formula | C30H30F21O6Yb |
Zirconium(IV) 2,4-pentanedionate, Thermo Scientific Chemicals
CAS: 17501-44-9 Molecular Formula: C20H28O8Zr Molecular Weight (g/mol): 487.66 MDL Number: MFCD00000036 InChI Key: DFPGFWYWSAYLCW-UHFFFAOYSA-N Synonym: 4-hydroxypent-3-en-2-one; zirconium PubChem CID: 50912253 IUPAC Name: 4-hydroxypent-3-en-2-one;zirconium SMILES: [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
| PubChem CID | 50912253 |
|---|---|
| CAS | 17501-44-9 |
| Molecular Weight (g/mol) | 487.66 |
| MDL Number | MFCD00000036 |
| SMILES | [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O |
| Synonym | 4-hydroxypent-3-en-2-one; zirconium |
| IUPAC Name | 4-hydroxypent-3-en-2-one;zirconium |
| InChI Key | DFPGFWYWSAYLCW-UHFFFAOYSA-N |
| Molecular Formula | C20H28O8Zr |
Hafnium(IV) 2,4-pentanedionate, 97%
CAS: 17475-67-1 Molecular Formula: C20H28HfO8 Molecular Weight (g/mol): 574.92 MDL Number: MFCD00044997 InChI Key: GXNMJQUZCICHBX-UHFFFAOYSA-N Synonym: hafnium iv acetylacetonate,hafnium-2,4-pentanedionate,hafnium; z-4-hydroxypent-3-en-2-one,3z-4-tris 2z-4-oxopent-2-en-2-yl oxy hafnio oxy pent-3-en-2-one PubChem CID: 11330624 IUPAC Name: hafnium;(Z)-4-hydroxypent-3-en-2-one SMILES: [Hf+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
| PubChem CID | 11330624 |
|---|---|
| CAS | 17475-67-1 |
| Molecular Weight (g/mol) | 574.92 |
| MDL Number | MFCD00044997 |
| SMILES | [Hf+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O |
| Synonym | hafnium iv acetylacetonate,hafnium-2,4-pentanedionate,hafnium; z-4-hydroxypent-3-en-2-one,3z-4-tris 2z-4-oxopent-2-en-2-yl oxy hafnio oxy pent-3-en-2-one |
| IUPAC Name | hafnium;(Z)-4-hydroxypent-3-en-2-one |
| InChI Key | GXNMJQUZCICHBX-UHFFFAOYSA-N |
| Molecular Formula | C20H28HfO8 |
2-Butyn-1-ol, 98%
CAS: 764-01-2 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.091 MDL Number: MFCD00002914 InChI Key: NEEDEQSZOUAJMU-UHFFFAOYSA-N Synonym: 2-butyn-1-ol,2-butynol,2-butyne-1-ol,hydroxymethylmethylacetylene,2-butynyl alcohol,1-hydroxybut-2-yne,2-butyn-l-ol,2-butyn1-ol,2-butin-1-ol,but-2-in-1-ol PubChem CID: 12991 IUPAC Name: but-2-yn-1-ol SMILES: CC#CCO
| PubChem CID | 12991 |
|---|---|
| CAS | 764-01-2 |
| Molecular Weight (g/mol) | 70.091 |
| MDL Number | MFCD00002914 |
| SMILES | CC#CCO |
| Synonym | 2-butyn-1-ol,2-butynol,2-butyne-1-ol,hydroxymethylmethylacetylene,2-butynyl alcohol,1-hydroxybut-2-yne,2-butyn-l-ol,2-butyn1-ol,2-butin-1-ol,but-2-in-1-ol |
| IUPAC Name | but-2-yn-1-ol |
| InChI Key | NEEDEQSZOUAJMU-UHFFFAOYSA-N |
| Molecular Formula | C4H6O |
D-Myo-inositol, 99.26%, For HPLC analysis, MP Biomedicals™
CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N Synonym: scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 87-89-8 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:24848 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| Synonym | scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
Chromium(III) 2,4-pentanedionate, 97%
CAS: 21679-31-2 Molecular Formula: C15H21CrO6 Molecular Weight (g/mol): 349.32 MDL Number: MFCD00000015 MFCD00000015 InChI Key: JWORPXLMBPOPPU-LNTINUHCSA-K Synonym: chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863 PubChem CID: 91759531 IUPAC Name: chromium;(Z)-4-oxoniumylidenepent-2-en-2-olate SMILES: [Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 91759531 |
|---|---|
| CAS | 21679-31-2 |
| Molecular Weight (g/mol) | 349.32 |
| MDL Number | MFCD00000015 MFCD00000015 |
| SMILES | [Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863 |
| IUPAC Name | chromium;(Z)-4-oxoniumylidenepent-2-en-2-olate |
| InChI Key | JWORPXLMBPOPPU-LNTINUHCSA-K |
| Molecular Formula | C15H21CrO6 |
Roseoflavin, ≥97%, MP Biomedicals™
CAS: 51093-55-1 Molecular Formula: C18H23N5O6 Molecular Weight (g/mol): 405.411 InChI Key: IGQLDUYTWDABFK-GUTXKFCHSA-N Synonym: roseoflavin,roseoflavine,8-demethyl-8-dimethylamino riboflavin,1-deoxy-1-8-dimethylamino-7-methyl-2,4-dioxo-3,4-dihydrobenzo g pteridin-10 2h-yl-d-ribitol PubChem CID: 49867612 ChEBI: CHEBI:72346 IUPAC Name: 8-(dimethylamino)-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione SMILES: CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
| PubChem CID | 49867612 |
|---|---|
| CAS | 51093-55-1 |
| Molecular Weight (g/mol) | 405.411 |
| ChEBI | CHEBI:72346 |
| SMILES | CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O |
| Synonym | roseoflavin,roseoflavine,8-demethyl-8-dimethylamino riboflavin,1-deoxy-1-8-dimethylamino-7-methyl-2,4-dioxo-3,4-dihydrobenzo g pteridin-10 2h-yl-d-ribitol |
| IUPAC Name | 8-(dimethylamino)-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione |
| InChI Key | IGQLDUYTWDABFK-GUTXKFCHSA-N |
| Molecular Formula | C18H23N5O6 |
Pentaerythritol, 98+%
CAS: 115-77-5 Molecular Formula: C5H12O4 Molecular Weight (g/mol): 136.147 MDL Number: MFCD00004692 InChI Key: WXZMFSXDPGVJKK-UHFFFAOYSA-N Synonym: pentaerythritol,pentek,2,2-bis hydroxymethyl propane-1,3-diol,tetramethylolmethane,monopentaerythritol,auxinutril,maxinutril,monopentek,pentaerythrite,penetek PubChem CID: 8285 IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol SMILES: C(C(CO)(CO)CO)O
| PubChem CID | 8285 |
|---|---|
| CAS | 115-77-5 |
| Molecular Weight (g/mol) | 136.147 |
| MDL Number | MFCD00004692 |
| SMILES | C(C(CO)(CO)CO)O |
| Synonym | pentaerythritol,pentek,2,2-bis hydroxymethyl propane-1,3-diol,tetramethylolmethane,monopentaerythritol,auxinutril,maxinutril,monopentek,pentaerythrite,penetek |
| IUPAC Name | 2,2-bis(hydroxymethyl)propane-1,3-diol |
| InChI Key | WXZMFSXDPGVJKK-UHFFFAOYSA-N |
| Molecular Formula | C5H12O4 |
1-(6-Methoxy-2-naphthyl)ethanol, 98%
CAS: 77301-42-9 Molecular Formula: C13H14O2 Molecular Weight (g/mol): 202.25 MDL Number: MFCD01632581 InChI Key: OUVJWFRUESFCCY-SECBINFHSA-N Synonym: 1-6-methoxy-2-naphthyl ethanol,1-6-methoxynaphthalen-2-yl ethanol,1-6'-methoxy-2-naphthyl ethanol,+/--1-6-methoxynaphthyl ethanol,2-1-hydroxyethyl-6-methoxynaphthalene,1-6-methoxynaphthalen-2-yl ethan-1-ol,6-methoxy-alpha-methyl-2-naphthalenemethanol,1rs-1-6-methoxy-2-naphthyl ethanol naproxen impurity k,1-6-methoxy-2-naphthyl ethan-1-ol,naproxen impurity k PubChem CID: 575523 SMILES: COC1=CC=C2C=C(C=CC2=C1)[C@@H](C)O
| PubChem CID | 575523 |
|---|---|
| CAS | 77301-42-9 |
| Molecular Weight (g/mol) | 202.25 |
| MDL Number | MFCD01632581 |
| SMILES | COC1=CC=C2C=C(C=CC2=C1)[C@@H](C)O |
| Synonym | 1-6-methoxy-2-naphthyl ethanol,1-6-methoxynaphthalen-2-yl ethanol,1-6'-methoxy-2-naphthyl ethanol,+/--1-6-methoxynaphthyl ethanol,2-1-hydroxyethyl-6-methoxynaphthalene,1-6-methoxynaphthalen-2-yl ethan-1-ol,6-methoxy-alpha-methyl-2-naphthalenemethanol,1rs-1-6-methoxy-2-naphthyl ethanol naproxen impurity k,1-6-methoxy-2-naphthyl ethan-1-ol,naproxen impurity k |
| InChI Key | OUVJWFRUESFCCY-SECBINFHSA-N |
| Molecular Formula | C13H14O2 |
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)terbium(III), 99%, Thermo Scientific Chemicals
CAS: 15492-51-0 Molecular Formula: C33H57O6Tb Molecular Weight (g/mol): 708.74 MDL Number: MFCD00064752 InChI Key: DIIXZXQKWUIOAN-UHFFFAOYSA-N Synonym: tb tmhd 3,terbium iii tris 2,2,6,6-tetramethyl-3,5-heptanedionate PubChem CID: 133109942 SMILES: [Tb+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
| PubChem CID | 133109942 |
|---|---|
| CAS | 15492-51-0 |
| Molecular Weight (g/mol) | 708.74 |
| MDL Number | MFCD00064752 |
| SMILES | [Tb+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C |
| Synonym | tb tmhd 3,terbium iii tris 2,2,6,6-tetramethyl-3,5-heptanedionate |
| InChI Key | DIIXZXQKWUIOAN-UHFFFAOYSA-N |
| Molecular Formula | C33H57O6Tb |
6-Chloro-1-hexanol, 97%
CAS: 2009-83-8 Molecular Formula: C6H13ClO Molecular Weight (g/mol): 136.619 MDL Number: MFCD00002984 InChI Key: JNTPTNNCGDAGEJ-UHFFFAOYSA-N Synonym: 6-chloro-1-hexanol,6-chlorohexanol,1-chloro-6-hydroxyhexane,1-hexanol, 6-chloro,hexamethylene chlorohydrin,1-chloro-6-hexanol,omega-chlorohexanol,unii-t2hit6n5uf,6-chloro-hexanol,t2hit6n5uf PubChem CID: 74828 IUPAC Name: 6-chlorohexan-1-ol SMILES: C(CCCCl)CCO
| PubChem CID | 74828 |
|---|---|
| CAS | 2009-83-8 |
| Molecular Weight (g/mol) | 136.619 |
| MDL Number | MFCD00002984 |
| SMILES | C(CCCCl)CCO |
| Synonym | 6-chloro-1-hexanol,6-chlorohexanol,1-chloro-6-hydroxyhexane,1-hexanol, 6-chloro,hexamethylene chlorohydrin,1-chloro-6-hexanol,omega-chlorohexanol,unii-t2hit6n5uf,6-chloro-hexanol,t2hit6n5uf |
| IUPAC Name | 6-chlorohexan-1-ol |
| InChI Key | JNTPTNNCGDAGEJ-UHFFFAOYSA-N |
| Molecular Formula | C6H13ClO |
(+/-)-Ethyl mandelate, 97%
CAS: 774-40-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00004494 InChI Key: SAXHIDRUJXPDOD-UHFFFAOYSA-N Synonym: ethyl mandelate,ethyl phenylglycolate,mandelic acid, ethyl ester,dl-mandelic acid ethyl ester,mandelic acid ethyl ester,ethyl dl-mandelate,mandelsaeureaethylester,ethyl hydroxy phenyl acetate,mandelsaeureaethylester german,+-ethyl mandelate PubChem CID: 13050 ChEBI: CHEBI:38750 IUPAC Name: ethyl 2-hydroxy-2-phenylacetate SMILES: CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 13050 |
|---|---|
| CAS | 774-40-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:38750 |
| MDL Number | MFCD00004494 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | ethyl mandelate,ethyl phenylglycolate,mandelic acid, ethyl ester,dl-mandelic acid ethyl ester,mandelic acid ethyl ester,ethyl dl-mandelate,mandelsaeureaethylester,ethyl hydroxy phenyl acetate,mandelsaeureaethylester german,+-ethyl mandelate |
| IUPAC Name | ethyl 2-hydroxy-2-phenylacetate |
| InChI Key | SAXHIDRUJXPDOD-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Manganese(II) 2,4-pentanedionate
CAS: 14024-58-9 Molecular Formula: C10H14MnO4 Molecular Weight (g/mol): 253.16 MDL Number: MFCD00000022 MFCD09998212 InChI Key: ZQZQURFYFJBOCE-FDGPNNRMSA-L Synonym: bis 4-hydroxypent-3-en-2-one dihydrate manganese PubChem CID: 54669727 IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;manganese;dihydrate SMILES: [Mn++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 54669727 |
|---|---|
| CAS | 14024-58-9 |
| Molecular Weight (g/mol) | 253.16 |
| MDL Number | MFCD00000022 MFCD09998212 |
| SMILES | [Mn++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | bis 4-hydroxypent-3-en-2-one dihydrate manganese |
| IUPAC Name | (Z)-4-hydroxypent-3-en-2-one;manganese;dihydrate |
| InChI Key | ZQZQURFYFJBOCE-FDGPNNRMSA-L |
| Molecular Formula | C10H14MnO4 |