Organooxygen compounds
1-(1H-Pyrazol-5-yl)ethan-1-one hydrochloride, ≥95%, Thermo Scientific™
CAS: 175277-40-4 Molecular Formula: C5H7ClN2O Molecular Weight (g/mol): 146.574 MDL Number: MFCD00204160 InChI Key: MTFWBEDWXAHBNR-UHFFFAOYSA-N Synonym: 1-1h-pyrazol-5-yl ethan-1-one hydrochloride,1-1h-pyrazol-5-yl ethanone hydrochloride,1-1h-pyrazol-3-yl ethanone hydrochloride,1-2h-pyrazol-3-yl ethanone hydrochloride,5-acetyl-1h-pyrazole hydrochloride,5-acetylpyrazole, chloride,3-acetylpyrazole hydrochloride,5-acetylpyrazole hydrochloride,1-1h-pyrazol-5-yl-1-ethanone hydrochloride,1-1h-pyrazole-5-yl ethan-1-one hydrochloride PubChem CID: 2799623 IUPAC Name: 1-(1H-pyrazol-5-yl)ethanone;hydrochloride SMILES: CC(=O)C1=CC=NN1.Cl
4-tert-Butylcyclohexanol, 99%, mixture of isomers
CAS: 98-52-2 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00001473,MFCD00064952,MFCD00070476 InChI Key: CCOQPGVQAWPUPE-UHFFFAOYSA-N Synonym: 4-tert-butylcyclohexanol,cis-4-tert-butylcyclohexanol,trans-4-tert-butylcyclohexanol,4-tert-butyl cyclohexanol,cis-4-tert-butyl cyclohexanol,padaryl,p-tert-butylcyclohexanol,cyclohexanol, 4-1,1-dimethylethyl,cyclohexanol, 4-tert-butyl,4-t-butylcyclohexanol PubChem CID: 7391 IUPAC Name: 4-tert-butylcyclohexan-1-ol SMILES: CC(C)(C)C1CCC(O)CC1
4-Butoxybenzaldehyde, 99%, Thermo Scientific™
CAS: 5736-88-9 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00003389 InChI Key: XHWMNHADTZZHGI-UHFFFAOYSA-N Synonym: p-butoxybenzaldehyde,benzaldehyde, 4-butoxy,4-n-butoxybenzaldehyde,benzaldehyde, p-butoxy,4-butoxy-benzaldehyde,p-n-butoxybenzaldehyde,4-n-butyloxybenzaldehyde,acmc-209lxn,p-n-butoxy benzaldehyde,4-butoxybenzaldehyde PubChem CID: 79813 IUPAC Name: 4-butoxybenzaldehyde SMILES: CCCCOC1=CC=C(C=C1)C=O
Malonyl dichloride, 97%
CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.95 MDL Number: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonym: malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride PubChem CID: 74269 IUPAC Name: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl
2-Hydroxy-3-methoxybenzaldehyde, 99%
CAS: 148-53-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003322 InChI Key: JJVNINGBHGBWJH-UHFFFAOYSA-N Synonym: 3-methoxysalicylaldehyde,o-vanillin,6-formylguaiacol,2-vanillin,o-vanilline,benzaldehyde, 2-hydroxy-3-methoxy,orthovanilline,2-hydroxy-m-anisaldehyde,6-formyl-2-methoxyphenol,3-methoxy-2-hydroxybenzaldehyde PubChem CID: 8991 ChEBI: CHEBI:78339 IUPAC Name: 2-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC=CC(C=O)=C1O
Allyl Alcohol, 99%, extra pure
CAS: 107-18-6 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00002920 InChI Key: XXROGKLTLUQVRX-UHFFFAOYSA-N Synonym: allyl alcohol,2-propen-1-ol,vinylcarbinol,2-propenyl alcohol,3-hydroxypropene,2-propenol,allylic alcohol,1-propen-3-ol,vinyl carbinol,weed drench PubChem CID: 7858 ChEBI: CHEBI:16605 IUPAC Name: prop-2-en-1-ol SMILES: OCC=C
3,4-Hexanedione, 96%
CAS: 4437-51-8 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00010237 InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N Synonym: 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd PubChem CID: 62539 IUPAC Name: hexane-3,4-dione SMILES: CCC(=O)C(=O)CC
Isobutyraldehyde, 99+%
CAS: 78-84-2 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00006980 InChI Key: AMIMRNSIRUDHCM-UHFFFAOYSA-N Synonym: isobutyraldehyde,isobutanal,isobutylaldehyde,propanal, 2-methyl,2-methylpropionaldehyde,isobutyric aldehyde,valine aldehyde,isopropylaldehyde,2-methyl-1-propanal,isobutaldehyde PubChem CID: 6561 ChEBI: CHEBI:48943 IUPAC Name: 2-methylpropanal SMILES: CC(C)C=O
Cafestol from Coffee Beans, MP Biomedicals™
CAS: 469-83-0 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.44 MDL Number: MFCD01075769 InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N IUPAC Name: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3
2-Isopropoxypyridine-3-carboxaldehyde, 98%
CAS: 885278-10-4 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD06804560 InChI Key: GNTQOKGIVMJHQG-UHFFFAOYSA-N Synonym: 2-isopropoxynicotinaldehyde,2-isopropoxypyridine-3-carboxaldehyde,2-isopropoxy-pyridine-3-carbaldehyde,2-isopropoxypyridine-3-carbaldehyde,2-propan-2-yl-oxy pyridine-3-carbaldehyde,acmc-20anso,2-methylethoxy pyridine-3-carbaldehyde,2-propan-2-yloxy pyridine-3-carbaldehyde,2-propan-2-yl oxy pyridine-3-carbaldehyde,3-pyridinecarboxaldehyde,2-1-methylethoxy PubChem CID: 42553128 IUPAC Name: 2-propan-2-yloxypyridine-3-carbaldehyde SMILES: CC(C)OC1=C(C=O)C=CC=N1
6-Quinolinecarbaldehyde, 97%, Thermo Scientific™
CAS: 4113-04-6 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.17 InChI Key: VUAOIXANWIFYCU-UHFFFAOYSA-N Synonym: quinoline-6-carbaldehyde,6-quinolinecarboxaldehyde,6-quinolinecarbaldehyde,quinoline-6-carboxaldehyde,6-formylquinoline,6-quinolinemethanal,pubchem10181,quinolin-6-carbaldehyde,acmc-2097el PubChem CID: 765653
4'-(Methylthio)acetophenone, 99%
CAS: 1778-09-2 Molecular Formula: C9H10OS Molecular Weight (g/mol): 166.24 MDL Number: MFCD00039835 InChI Key: JECUZQLBQKNEMW-UHFFFAOYSA-N Synonym: 4'-methylthio acetophenone,4-methylthio acetophenone,4'-methylthioacetophenone,1-4-methylsulfanyl phenyl ethanone,4-acetyl thioanisole,4'-methylmercapto acetophenone,1-4-methylthio phenyl ethanone,1-4-methylthio phenyl ethan-1-one,1-4-methylsulfanylphenyl ethanone PubChem CID: 74501 IUPAC Name: 1-(4-methylsulfanylphenyl)ethanone SMILES: CSC1=CC=C(C=C1)C(C)=O
Ethyl 2-oxocyclopentanecarboxylate, 95+%
CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.18 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O
2-Cyclopentyloxypyridine-3-boronic acid pinacol ester, 96%, Thermo Scientific™
CAS: 1073371-90-0 Molecular Formula: C16H24BNO3 Molecular Weight (g/mol): 289.18 MDL Number: MFCD07781170 InChI Key: GZCZGFSEHAZEPS-UHFFFAOYSA-N Synonym: 2-cyclopentyloxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-cyclopentyloxypyridine-3-boronic acid pinacol ester,2-cyclopentyloxy pyridine-3-boronic acid pinacol ester,2-cyclopentyloxy-3-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-cyclopentyloxy pyridine-3-boronic acid, pinacol ester,2-cyclopentyloxy pyridin-3-yl boronic acid pinacol ester PubChem CID: 24208792 IUPAC Name: 2-cyclopentyloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: CC1(C)OB(OC1(C)C)C1=C(OC2CCCC2)N=CC=C1
6-Bromopyridine-2-carboxaldehyde, 97%
CAS: 34160-40-2 Molecular Formula: C6H4BrNO Molecular Weight (g/mol): 186.008 MDL Number: MFCD02683546 InChI Key: QWFHFNGMCPMOCD-UHFFFAOYSA-N Synonym: 6-bromo-2-pyridinecarboxaldehyde,6-bromopicolinaldehyde,6-bromo-2-formylpyridine,6-bromopyridine-2-carboxaldehyde,2-bromo-6-formylpyridine,6-bromo-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-bromo,2-bromopyridine-6-carboxaldehyde,6-bromo-2-pyridine carboxaldehyde,6-bromopicolylaldehyde PubChem CID: 2757009 IUPAC Name: 6-bromopyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Br)C=O