Organooxygen compounds
2-Acetyl-5-chlorothiophene, 99%
CAS: 6310-09-4 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00005444 InChI Key: HTZGPEHWQCRXGZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene PubChem CID: 80572 IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Cl
3-Ethyl-3-hexanol, 98%, Thermo Scientific Chemicals
CAS: 597-76-2 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00039616 InChI Key: WNDLTOTUHMHNOC-UHFFFAOYSA-N Synonym: 3-ethyl-3-hexanol,3-hexanol, 3-ethyl,1,1-diethyl-1-butanol,diethyl n-propyl carbinol,acmc-1ak6h PubChem CID: 69008 IUPAC Name: 3-ethylhexan-3-ol SMILES: CCCC(O)(CC)CC
Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans, 97%
CAS: 17159-80-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00192156,MFCD16295187 InChI Key: BZKQJSLASWRDNE-UHFFFAOYSA-N Synonym: ethyl 4-hydroxycyclohexanecarboxylate,trans-ethyl 4-hydroxycyclohexanecarboxylate,ethyl trans-4-hydroxycyclohexanecarboxylate,4-hydroxy-cyclohexanecarboxylic acid ethyl ester,ethyl 4-hydroxycyclohexane carboxylate,cis-ethyl 4-hydroxycyclohexanecarboxylate,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester,4-hydroxycyclohexanecarboxylic acid ethyl ester,trans-4-hydroxycyclohexanecarboxylic acid ethyl ester,cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis PubChem CID: 86973 IUPAC Name: ethyl 4-hydroxycyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCC(O)CC1
Octyl aldehyde, 99%
CAS: 124-13-0 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00007029 InChI Key: NUJGJRNETVAIRJ-UHFFFAOYSA-N Synonym: caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal PubChem CID: 454 ChEBI: CHEBI:17935 IUPAC Name: octanal SMILES: CCCCCCCC=O
1,2-Propanediol, MilliporeSigma™
CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O
2-Bromo-2'-methoxyacetophenone, 98%
CAS: 31949-21-0 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00000196 InChI Key: GKNCPTLOPRDYMH-UHFFFAOYSA-N Synonym: 2-bromo-1-2-methoxyphenyl ethanone,2-bromo-2'-methoxyacetophenone,2-methoxyphenacyl bromide,o-methoxy phenacylbromide,bromomethyl 2-methoxyphenyl ketone,2-bromo-1-2-methoxyphenyl ethan-1-one,2-bromo-2'-methoxy acetophenone,ethanone, 2-bromo-1-methoxyphenyl,alpha-bromo-o-methoxyacetophenone,2-bromoacetylanisole PubChem CID: 123440 IUPAC Name: 2-bromo-1-(2-methoxyphenyl)ethanone SMILES: COC1=CC=CC=C1C(=O)CBr
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
1-Benzothiophen-3-ylmethanol, 97%, Thermo Scientific™
CAS: 5381-24-8 Molecular Formula: C9H8OS Molecular Weight (g/mol): 164.22 MDL Number: MFCD02682007 InChI Key: UYGMKSKKGSUAHB-UHFFFAOYSA-N Synonym: benzo b thiophen-3-ylmethanol,benzo b thiophene-3-methanol,benzothien-3-ylmethanol,benzo,a thiophene-3-methanol,benzo b thiophen-3-yl methanol,1-benzothiophen-3-yl methanol,3-hydroxymethylbenzo b thiophene,benzo b thiophen-3-ylmethan-1-ol,3-hydroxymethyl benzo b thiophene PubChem CID: 2776342 SMILES: OCC1=CSC2=CC=CC=C12
6-Fluoroveratraldehyde, 97%
CAS: 71924-62-4 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.17 MDL Number: MFCD00061108 InChI Key: IBBYQNVXKFMSSI-UHFFFAOYSA-N Synonym: 6-fluoroveratraldehyde,4,5-dimethoxy-2-fluorobenzaldehyde,benzaldehyde,2-fluoro-4,5-dimethoxy,benzaldehyde, 2-fluoro-4,5-dimethoxy,pubchem2651,acmc-1bkgo,4.5-dimethoxy-2-fluorobenzaldehyde,2-fluoro-4,5-dimethoxy-benzaldehyde,4,5-dimethoxy-2-fluoro benzaldehyde PubChem CID: 603595 IUPAC Name: 2-fluoro-4,5-dimethoxybenzaldehyde SMILES: COC1=CC(F)=C(C=O)C=C1OC
2-Methylanthraquinone, 97%
CAS: 84-54-8 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.243 MDL Number: MFCD00001235 InChI Key: NJWGQARXZDRHCD-UHFFFAOYSA-N Synonym: 2-methylanthraquinone,tectoquinone,2-methyl anthraquinone,techtoquinone,tectochinon,2-methyl-9,10-anthraquinone,9,10-anthracenedione, 2-methyl,beta-methylanthraquinone,2-methylanthra-9,10-quinone,anthraquinone, 2-methyl PubChem CID: 6773 ChEBI: CHEBI:9427 IUPAC Name: 2-methylanthracene-9,10-dione SMILES: CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
2-Thiophenecarboxaldehyde, 98%
CAS: 98-03-3 Molecular Formula: C5H4OS Molecular Weight (g/mol): 112.15 MDL Number: MFCD00005429 InChI Key: CNUDBTRUORMMPA-UHFFFAOYSA-N Synonym: 2-thiophenecarboxaldehyde,2-thenaldehyde,thiophene-2-aldehyde,2-formylthiophene,2-thienylaldehyde,2-thiophenealdehyde,thiophene-2-carboxaldehyde,2-thienylcarboxaldehyde,2-thienaldehyde,alpha-formylthiophene PubChem CID: 7364 ChEBI: CHEBI:87301 IUPAC Name: thiophene-2-carbaldehyde SMILES: O=CC1=CC=CS1
4-Biphenylcarboxaldehyde, 99%
CAS: 3218-36-8 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 MDL Number: MFCD00006947 InChI Key: ISDBWOPVZKNQDW-UHFFFAOYSA-N Synonym: 4-biphenylcarboxaldehyde,4-biphenylaldehyde,p-phenylbenzaldehyde,1,1'-biphenyl-4-carbaldehyde,biphenyl-4-carboxaldehyde,4-formylbiphenyl,p-biphenylylaldehyde,1,1'-biphenyl-4-carboxaldehyde,p-biphenylaldehyde,p-biphenylcarboxaldehyde PubChem CID: 76689 IUPAC Name: 4-phenylbenzaldehyde SMILES: O=CC1=CC=C(C=C1)C1=CC=CC=C1
2-Amino-4'-bromoacetophenone hydrochloride, 98%
CAS: 5467-72-1 Molecular Formula: C8H9BrClNO Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
2-(2-Chloroethoxy)ethanol, 99%
CAS: 628-89-7 Molecular Formula: C4H9ClO2 Molecular Weight (g/mol): 124.56 MDL Number: MFCD00002870 InChI Key: LECMBPWEOVZHKN-UHFFFAOYSA-N Synonym: 2-2-chloroethoxy ethanol,ethanol, 2-2-chloroethoxy,diglycol chlorohydrin,diglycol chlorhydrin,2-chloroethyl 2-hydroxyethyl ether,monochloropolyoxyethylene,2-2-chloroethoxy ethan-1-ol,unii-r2up818l4i,diethylene glycol monochlorohydrin,polyethylene glycol chloride 210 PubChem CID: 12361 IUPAC Name: 2-(2-chloroethoxy)ethanol SMILES: OCCOCCCl
3-Cyclopenten-1-ol
CAS: 14320-38-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00798186 InChI Key: WEIMJSIRDZDHAH-UHFFFAOYSA-N IUPAC Name: cyclopent-3-en-1-ol SMILES: OC1CC=CC1