Organooxygen compounds
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Polyethylene Glycol Monostearate (n=approx. 10) (palmitate and stearate mixture), TCI America™
CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.537 MDL Number: MFCD00148007 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N PubChem CID: 24762 IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| PubChem CID | 24762 |
|---|---|
| CAS | 9004-99-3 |
| Molecular Weight (g/mol) | 328.537 |
| MDL Number | MFCD00148007 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
1,16-Hexadecanediol 95.0+%, TCI America™
CAS: 7735-42-4 Molecular Formula: C16H34O2 Molecular Weight (g/mol): 258.45 MDL Number: MFCD00002821 InChI Key: GJBXIPOYHVMPQJ-UHFFFAOYSA-N Synonym: 1,16-Dihydroxyhexadecane, Hexadecamethylene Glycol PubChem CID: 82184 IUPAC Name: hexadecane-1,16-diol SMILES: OCCCCCCCCCCCCCCCCO
| PubChem CID | 82184 |
|---|---|
| CAS | 7735-42-4 |
| Molecular Weight (g/mol) | 258.45 |
| MDL Number | MFCD00002821 |
| SMILES | OCCCCCCCCCCCCCCCCO |
| Synonym | 1,16-Dihydroxyhexadecane, Hexadecamethylene Glycol |
| IUPAC Name | hexadecane-1,16-diol |
| InChI Key | GJBXIPOYHVMPQJ-UHFFFAOYSA-N |
| Molecular Formula | C16H34O2 |
4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone 96.0+%, TCI America™
CAS: 1691-93-6 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00143378 InChI Key: XJJDGTPFEFAAMV-UHFFFAOYSA-N Synonym: 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone PubChem CID: 781778 IUPAC Name: 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F
| PubChem CID | 781778 |
|---|---|
| CAS | 1691-93-6 |
| Molecular Weight (g/mol) | 270.211 |
| MDL Number | MFCD00143378 |
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F |
| Synonym | 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone |
| IUPAC Name | 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one |
| InChI Key | XJJDGTPFEFAAMV-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O2 |
1,1,1-Trichloroacetone 95.0+%, TCI America™
CAS: 918-00-3 Molecular Formula: C3H3Cl3O Molecular Weight (g/mol): 161.41 MDL Number: MFCD00018829 InChI Key: SMZHKGXSEAGRTI-UHFFFAOYSA-N Synonym: 1,1,1-trichloroacetone,trichloroacetone,1,1,1-trichloropropanone,1,1,1-trichloro-2-propanone,2-propanone, 1,1,1-trichloro,2-propanone, trichloro,unii-nw27zg5lda,ccris 7196,alpha,alpha,alpha-trichloroacetone,nw27zg5lda PubChem CID: 13514 IUPAC Name: 1,1,1-trichloropropan-2-one SMILES: CC(=O)C(Cl)(Cl)Cl
| PubChem CID | 13514 |
|---|---|
| CAS | 918-00-3 |
| Molecular Weight (g/mol) | 161.41 |
| MDL Number | MFCD00018829 |
| SMILES | CC(=O)C(Cl)(Cl)Cl |
| Synonym | 1,1,1-trichloroacetone,trichloroacetone,1,1,1-trichloropropanone,1,1,1-trichloro-2-propanone,2-propanone, 1,1,1-trichloro,2-propanone, trichloro,unii-nw27zg5lda,ccris 7196,alpha,alpha,alpha-trichloroacetone,nw27zg5lda |
| IUPAC Name | 1,1,1-trichloropropan-2-one |
| InChI Key | SMZHKGXSEAGRTI-UHFFFAOYSA-N |
| Molecular Formula | C3H3Cl3O |
Methyl 4-Chloroacetoacetate 96.0+%, TCI America™
CAS: 32807-28-6 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000938 InChI Key: HFLMYYLFSNEOOT-UHFFFAOYSA-N Synonym: methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 PubChem CID: 36240 IUPAC Name: methyl 4-chloro-3-oxobutanoate SMILES: COC(=O)CC(=O)CCl
| PubChem CID | 36240 |
|---|---|
| CAS | 32807-28-6 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000938 |
| SMILES | COC(=O)CC(=O)CCl |
| Synonym | methyl 4-chloroacetoacetate,methyl 4-chloro-3-oxo-butanoate,butanoic acid, 4-chloro-3-oxo-, methyl ester,4-chloroacetoacetic acid methyl ester,methyl 4-chloro-3-oxobutyrate,methyl gamma-chloroacetoacetate,methyl-4-chloroacetoacetate,acetoacetic acid, 4-chloro-, methyl ester,4-chloroacetonacetic acid nethyl ester,pubchem11042 |
| IUPAC Name | methyl 4-chloro-3-oxobutanoate |
| InChI Key | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
cis-1,4-Cyclohexanediol 97.0+%, TCI America™
CAS: 931-71-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: cis-1,4-Dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
| PubChem CID | 11162 |
|---|---|
| CAS | 931-71-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
| SMILES | OC1CCC(O)CC1 |
| Synonym | cis-1,4-Dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
1-Amino-2-methylanthraquinone 90.0+%, TCI America™
CAS: 82-28-0 Molecular Formula: C15H11NO2 Molecular Weight (g/mol): 237.26 MDL Number: MFCD00001220 InChI Key: ZLCUIOWQYBYEBG-UHFFFAOYSA-N Synonym: Disperse Orange 11 PubChem CID: 6702 ChEBI: CHEBI:82382 IUPAC Name: 1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione SMILES: CC1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1N
| PubChem CID | 6702 |
|---|---|
| CAS | 82-28-0 |
| Molecular Weight (g/mol) | 237.26 |
| ChEBI | CHEBI:82382 |
| MDL Number | MFCD00001220 |
| SMILES | CC1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1N |
| Synonym | Disperse Orange 11 |
| IUPAC Name | 1-amino-2-methyl-9,10-dihydroanthracene-9,10-dione |
| InChI Key | ZLCUIOWQYBYEBG-UHFFFAOYSA-N |
| Molecular Formula | C15H11NO2 |
Allyl Butyl Ether 97.0+%, TCI America™
CAS: 3739-64-8 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00009460 InChI Key: IBTLFDCPAJLATQ-UHFFFAOYSA-N Synonym: allyl butyl ether,ether, allyl butyl,butyl allyl ether,allyl n-butyl ether,1-allyloxy butane,butane, 1-2-propenyloxy,allyln-butylether,acmc-1cncm,3-butoxy-1-propene # PubChem CID: 77332 IUPAC Name: 1-(prop-2-en-1-yloxy)butane SMILES: CCCCOCC=C
| PubChem CID | 77332 |
|---|---|
| CAS | 3739-64-8 |
| Molecular Weight (g/mol) | 114.19 |
| MDL Number | MFCD00009460 |
| SMILES | CCCCOCC=C |
| Synonym | allyl butyl ether,ether, allyl butyl,butyl allyl ether,allyl n-butyl ether,1-allyloxy butane,butane, 1-2-propenyloxy,allyln-butylether,acmc-1cncm,3-butoxy-1-propene # |
| IUPAC Name | 1-(prop-2-en-1-yloxy)butane |
| InChI Key | IBTLFDCPAJLATQ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
9-(4-Methoxyphenyl)xanthen-9-ol 97.0+%, TCI America™
CAS: 94465-25-5 Molecular Formula: C20H16O3 Molecular Weight (g/mol): 304.345 MDL Number: MFCD00671561 InChI Key: ZYACEJZTEMQQEU-UHFFFAOYSA-N Synonym: 9-(p-Anisyl)xanthen-9-ol, 9-Hydroxy-9-(4-methoxyphenyl)xanthene PubChem CID: 3439556 IUPAC Name: 9-(4-methoxyphenyl)xanthen-9-ol SMILES: COC1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O
| PubChem CID | 3439556 |
|---|---|
| CAS | 94465-25-5 |
| Molecular Weight (g/mol) | 304.345 |
| MDL Number | MFCD00671561 |
| SMILES | COC1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O |
| Synonym | 9-(p-Anisyl)xanthen-9-ol, 9-Hydroxy-9-(4-methoxyphenyl)xanthene |
| IUPAC Name | 9-(4-methoxyphenyl)xanthen-9-ol |
| InChI Key | ZYACEJZTEMQQEU-UHFFFAOYSA-N |
| Molecular Formula | C20H16O3 |
trans-4-(Hydroxymethyl)cyclohexanecarboxylic Acid 98.0+%, TCI America™
CAS: 66185-74-8 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD10566907,MFCD01734677,MFCD10566906 InChI Key: VQMIUUBKKPIDBN-UHFFFAOYSA-N PubChem CID: 202819 IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid SMILES: OCC1CCC(CC1)C(O)=O
| PubChem CID | 202819 |
|---|---|
| CAS | 66185-74-8 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD10566907,MFCD01734677,MFCD10566906 |
| SMILES | OCC1CCC(CC1)C(O)=O |
| IUPAC Name | 4-(hydroxymethyl)cyclohexane-1-carboxylic acid |
| InChI Key | VQMIUUBKKPIDBN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
1-Chloro-2-(chloromethyl)-3,5-dioxahexane 95.0+%, TCI America™
CAS: 70905-45-2 Molecular Formula: C5H10Cl2O2 Molecular Weight (g/mol): 173.033 MDL Number: MFCD00130114 InChI Key: GEGJQMIXBNYSQG-UHFFFAOYSA-N Synonym: 1,1-Bis(chloromethyl)-2,4-dioxapentane, 1,3-Dichloro-2-(methoxymethoxy)propane PubChem CID: 5323878 IUPAC Name: 1,3-dichloro-2-(methoxymethoxy)propane SMILES: COCOC(CCl)CCl
| PubChem CID | 5323878 |
|---|---|
| CAS | 70905-45-2 |
| Molecular Weight (g/mol) | 173.033 |
| MDL Number | MFCD00130114 |
| SMILES | COCOC(CCl)CCl |
| Synonym | 1,1-Bis(chloromethyl)-2,4-dioxapentane, 1,3-Dichloro-2-(methoxymethoxy)propane |
| IUPAC Name | 1,3-dichloro-2-(methoxymethoxy)propane |
| InChI Key | GEGJQMIXBNYSQG-UHFFFAOYSA-N |
| Molecular Formula | C5H10Cl2O2 |
1-(4-Bromophenyl)-1,3-butanedione 98.0+%, TCI America™
CAS: 4023-81-8 Molecular Formula: C10H9BrO2 Molecular Weight (g/mol): 241.08 MDL Number: MFCD04619579 InChI Key: HPMLNAUGJOJXLT-POHAHGRESA-N Synonym: (4-Bromobenzoyl)acetone PubChem CID: 432653 IUPAC Name: (3Z)-4-(4-bromophenyl)-4-hydroxybut-3-en-2-one SMILES: CC(=O)\C=C(/O)C1=CC=C(Br)C=C1
| PubChem CID | 432653 |
|---|---|
| CAS | 4023-81-8 |
| Molecular Weight (g/mol) | 241.08 |
| MDL Number | MFCD04619579 |
| SMILES | CC(=O)\C=C(/O)C1=CC=C(Br)C=C1 |
| Synonym | (4-Bromobenzoyl)acetone |
| IUPAC Name | (3Z)-4-(4-bromophenyl)-4-hydroxybut-3-en-2-one |
| InChI Key | HPMLNAUGJOJXLT-POHAHGRESA-N |
| Molecular Formula | C10H9BrO2 |
3-Cyclohexyl-1-propanol 99.0+%, TCI America™
CAS: 1124-63-6 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 MDL Number: MFCD00001528 InChI Key: CLYAQFSQLQTVNO-UHFFFAOYSA-N Synonym: cyclohexanepropanol,3-cyclohexyl-1-propanol,3-cyclohexylpropanol,unii-kjb3vo906f,kjb3vo906f,cyclohexylpropyl alcohol,3-hydroxypropylcyclohexane,3-cyclohexylpropyl alcohol,acmc-1c5ti PubChem CID: 70763 IUPAC Name: 3-cyclohexylpropan-1-ol SMILES: C1CCC(CC1)CCCO
| PubChem CID | 70763 |
|---|---|
| CAS | 1124-63-6 |
| Molecular Weight (g/mol) | 142.242 |
| MDL Number | MFCD00001528 |
| SMILES | C1CCC(CC1)CCCO |
| Synonym | cyclohexanepropanol,3-cyclohexyl-1-propanol,3-cyclohexylpropanol,unii-kjb3vo906f,kjb3vo906f,cyclohexylpropyl alcohol,3-hydroxypropylcyclohexane,3-cyclohexylpropyl alcohol,acmc-1c5ti |
| IUPAC Name | 3-cyclohexylpropan-1-ol |
| InChI Key | CLYAQFSQLQTVNO-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
5-Norbornene-2,3-dimethanol (mixture of endo- and exo-, predominantly endo-isomer) 95.0+%, TCI America™
CAS: 85-39-2 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 InChI Key: IGHHPVIMEQGKNE-UHFFFAOYSA-N Synonym: Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol, 2,3-Bis(hydroxymethyl)-5-norbornene PubChem CID: 97724 IUPAC Name: [3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol SMILES: C1C2C=CC1C(C2CO)CO
| PubChem CID | 97724 |
|---|---|
| CAS | 85-39-2 |
| Molecular Weight (g/mol) | 154.209 |
| SMILES | C1C2C=CC1C(C2CO)CO |
| Synonym | Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol, 2,3-Bis(hydroxymethyl)-5-norbornene |
| IUPAC Name | [3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol |
| InChI Key | IGHHPVIMEQGKNE-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
3,6-Dimethyl-4-octyne-3,6-diol 98.0+%, TCI America™
CAS: 78-66-0 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00004480 InChI Key: NUYADIDKTLPDGG-UHFFFAOYSA-N Synonym: 3,6-Dihydroxy-3,6-dimethyl-4-octyne PubChem CID: 6546 IUPAC Name: 3,6-dimethyloct-4-yne-3,6-diol SMILES: CCC(C)(C#CC(C)(CC)O)O
| PubChem CID | 6546 |
|---|---|
| CAS | 78-66-0 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00004480 |
| SMILES | CCC(C)(C#CC(C)(CC)O)O |
| Synonym | 3,6-Dihydroxy-3,6-dimethyl-4-octyne |
| IUPAC Name | 3,6-dimethyloct-4-yne-3,6-diol |
| InChI Key | NUYADIDKTLPDGG-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |