Organooxygen compounds
1-Adamantanol, 99%
CAS: 768-95-6 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00074729 InChI Key: VLLNJDMHDJRNFK-UHFFFAOYSA-N Synonym: 1-adamantanol,1-hydroxyadamantane,1-adamantol,adamantanol,tricyclo 3.3.1.1 3,7 decan-1-ol,tricyclo 3.3.1.1∼3,7∼ decan-1-ol,1-adamantanol 1-hydroxyadamantane,tricyclo 3.3.1.13,7 decan-1-ol,3r,5s,7s-adamantan-1-ol PubChem CID: 64152 IUPAC Name: adamantan-1-ol SMILES: C1C2CC3CC1CC(C2)(C3)O
4-Hydroxy-3-methoxymandelic acid, 99%
CAS: 55-10-7 Molecular Formula: C9H9O5 Molecular Weight (g/mol): 197.17 MDL Number: MFCD00004235 InChI Key: CGQCWMIAEPEHNQ-QMMMGPOBSA-M Synonym: vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy PubChem CID: 1245 ChEBI: CHEBI:20106 SMILES: COC1=CC(=CC=C1O)[C@H](O)C([O-])=O
Poly(ethylene glycol methyl ether), average M.W. 500
CAS: 9004-74-4 Molecular Formula: (C2H4O)nCH4O Molecular Weight (g/mol): 76.10 MDL Number: MFCD00084416 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 SMILES: COCCO
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, 97%, Thermo Scientific™
CAS: 879896-54-5 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD09702359 InChI Key: FPQLUUWDLSUKNS-UHFFFAOYSA-N Synonym: 2-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,2-3-methyl-1,2,4-oxadiazol-5-yl,5-2-formylphenyl-3-methyl-1,2,4-oxadiazole PubChem CID: 24229502 IUPAC Name: 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde SMILES: CC1=NOC(=N1)C2=CC=CC=C2C=O
3-Pyridinecarboxaldehyde, 98%
CAS: 500-22-1 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.11 InChI Key: QJZUKDFHGGYHMC-UHFFFAOYSA-N Synonym: 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde PubChem CID: 10371 ChEBI: CHEBI:28345 IUPAC Name: pyridine-3-carbaldehyde SMILES: C1=CC(=CN=C1)C=O
Triethyl orthopropionate, 98+%
CAS: 115-80-0 Molecular Formula: C9H20O3 Molecular Weight (g/mol): 176.26 MDL Number: MFCD00009226 InChI Key: FGWYWKIOMUZSQF-UHFFFAOYSA-N Synonym: triethyl orthopropionate,ethyl orthopropionate,propane, 1,1,1-triethoxy,triethylorthopropionate,triethyl o-propionate,orthopropionic acid ethyl ester,orthopropionic acid, triethyl ester,unii-9uvm48bas9,9uvm48bas9,1,1,1-triethoxypropan PubChem CID: 66995 IUPAC Name: 1,1,1-triethoxypropane SMILES: CCOC(CC)(OCC)OCC
3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile, Thermo Scientific™
CAS: 175136-65-9 Molecular Formula: C10H8BrNO2 Molecular Weight (g/mol): 254.083 InChI Key: NVZISNDFOXXQSQ-UHFFFAOYSA-N Synonym: 3-2-bromo-5-methoxyphenyl-3-oxopropanenitrile,maybridge1_002847,3-2-bromo-5-methoxy-phenyl-3-oxo-propanenitrile PubChem CID: 2804251 IUPAC Name: 3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile SMILES: COC1=CC(=C(C=C1)Br)C(=O)CC#N
L-Ascorbyl palmitate, MP Biomedicals™
CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N Synonym: ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf PubChem CID: 54680660 IUPAC Name: 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
(R)-(+)-2-Phenyl-1-propanol, 98+%
CAS: 19141-40-3 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00145206 InChI Key: RNDNSYIPLPAXAZ-QMMMGPOBSA-N Synonym: r-2-phenyl-1-propanol,r-+-2-phenyl-1-propanol,2r-2-phenylpropan-1-ol,r-2-phenylpropanol,unii-9d7u4y35ur,2-phenyl-1-propanol, +-,2r-2-phenyl-1-propanol,+--2-phenyl-1-propanol,benzeneethanol, beta-methyl-, r,r-2-phenyl-1-propanol, +- PubChem CID: 177050 IUPAC Name: (2R)-2-phenylpropan-1-ol SMILES: C[C@@H](CO)C1=CC=CC=C1
1,3-Cyclohexanediol, 98%, mixture of cis and trans
CAS: 504-01-8 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00039458 InChI Key: RLMGYIOTPQVQJR-UHFFFAOYSA-N Synonym: 1,3-cyclohexanediol,resorcitol,1,3-dihydroxycyclohexane,1,3-benzenediol, hexahydro,cis-1,3-cyclohexandiol,trans-1,3-cyclohexanediol,trans-1,3-cyclohexanol,1,3-cyclohexanediol,c&t,acmc-209ll9,acmc-209po7 PubChem CID: 10433 IUPAC Name: cyclohexane-1,3-diol SMILES: C1CC(CC(C1)O)O
Ethyl butyrylacetate, 98%
CAS: 3249-68-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonym: ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: ethyl 3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC
1-Bromo-2-hexadecanone, 97%, Thermo Scientific Chemicals
CAS: 21436-52-2 Molecular Formula: C16H31BrO Molecular Weight (g/mol): 319.327 MDL Number: MFCD07777089 InChI Key: ICZYLTOWIBJLIK-UHFFFAOYSA-N Synonym: 1-bromo-2-hexadecanone,acmc-1cipg,2-hexadecanone,1-bromo PubChem CID: 14843414 IUPAC Name: 1-bromohexadecan-2-one SMILES: CCCCCCCCCCCCCCC(=O)CBr
5-Bromo-2-(trifluoromethoxy)benzaldehyde, 98%, Thermo Scientific Chemicals
CAS: 923281-52-1 Molecular Formula: C8H4BrF3O2 Molecular Weight (g/mol): 269.02 MDL Number: MFCD03701029 InChI Key: IBEWLWBZTHFCPI-UHFFFAOYSA-N Synonym: 5-bromo-2-trifluoromethoxy benzaldehyde,benzaldehyde, 5-bromo-2-trifluoromethoxy,acmc-209rfd,2-trifluoromethoxy-5-bromobenzaldehyde,4-bromo-2-formyl-alpha,alpha,alpha-trifluoroanisole PubChem CID: 26599201 IUPAC Name: 5-bromo-2-(trifluoromethoxy)benzaldehyde SMILES: FC(F)(F)OC1=C(C=O)C=C(Br)C=C1
3-Acetyl-6-bromopyridine, 97%
CAS: 139042-59-4 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD04974527 InChI Key: MUKKGHQBUKOMTD-UHFFFAOYSA-N Synonym: 5-acetyl-2-bromopyridine,1-6-bromopyridin-3-yl ethanone,2-bromo-5-acetylpyridine,1-6-bromo-pyridin-3-yl-ethanone,1-6-bromopyridin-3-yl ethan-1-one,3-acetyl-6-bromopyridine,ethanone, 1-6-bromo-3-pyridinyl,1-6-bromopyrid-3-yl ethanone,1-6-bromo-3-pyridyl ethanone,acmc-209cij PubChem CID: 15668195 IUPAC Name: 1-(6-bromopyridin-3-yl)ethanone SMILES: CC(=O)C1=CN=C(C=C1)Br