Organooxygen compounds
alpha-Bisabolol, 96%
CAS: 515-69-5 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.372 MDL Number: MFCD03846910 InChI Key: RGZSQWQPBWRIAQ-LSDHHAIUSA-N Synonym: bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 PubChem CID: 1549992 IUPAC Name: (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol SMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
5-Methyl-2-hepten-4-one, predominantly trans, 99%
CAS: 81925-81-7 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00792509 InChI Key: ARJWAURHQDJJAC-GQCTYLIASA-N Synonym: 5-methyl-2-hepten-4-one,filbertone,5-methylhept-2-en-4-one,+/--filbertone,hazelnut ketone,e-5-methyl-2-hepten-4-one,5-methyl-e-2-hepten-4-one,fema no. 3761,e-5-methylhept-2-en-4-one,2e-5-methyl-2-hepten-4-one PubChem CID: 5362588 IUPAC Name: (E)-5-methylhept-2-en-4-one SMILES: CCC(C)C(=O)C=CC
1-Methylimidazole-2-carboxaldehyde, 98%
CAS: 13750-81-7 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01321308 InChI Key: UEBFLTZXUXZPJO-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 PubChem CID: 139575 IUPAC Name: 1-methylimidazole-2-carbaldehyde SMILES: CN1C=CN=C1C=O
3,5-Difluoro-4-hydroxybenzaldehyde, 97%
CAS: 118276-06-5 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD06797917 InChI Key: SKOYTQILPMNZQO-UHFFFAOYSA-N Synonym: 3,5-difluoro-4-hydroxy-benzaldehyde,4-hydroxy-3,5-difluorobenzaldehyde,benzaldehyde, 3,5-difluoro-4-hydroxy,pubchem17015,acmc-1c2v9,ksc495m7b,benzaldehyde, 3,5-difluoro-4-hydroxy-9ci,s-3-hydroxy-1-hydroxymethylpropyl carbamic acid benzyl ester PubChem CID: 10192584 IUPAC Name: 3,5-difluoro-4-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1F)O)F)C=O
4-Acetyl-N-methylaniline, 97%
CAS: 17687-47-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD09261160 InChI Key: GDBAYICEBDZUNM-UHFFFAOYSA-N Synonym: 4-acetyl-n-methylaniline,1-4-methylamino phenyl ethanone,4-acetyl-n-methyl aniline,1-4-methylamino phenyl ethan-1-one,1-4-methylamino-phenyl-ethanone,ethanone, 1-4-methylamino phenyl,n-methyl-4-acetylaniline,acmc-1brn7,4-n-methylaminoacetophenone PubChem CID: 11607936 IUPAC Name: 1-[4-(methylamino)phenyl]ethanone SMILES: CNC1=CC=C(C=C1)C(C)=O
tert-Butyl propargyl ether, 98%
CAS: 16314-18-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD07368651 InChI Key: QIGSPXPODKLGRK-UHFFFAOYSA-N PubChem CID: 7172302 IUPAC Name: 2-methyl-2-prop-2-ynoxypropane SMILES: CC(C)(C)OCC#C
4-(Bromoacetyl)pyridine hydrobromide, 98%
CAS: 5349-17-7 Molecular Formula: C7H7Br2NO Molecular Weight (g/mol): 280.947 MDL Number: MFCD02681893 InChI Key: RGALBQILADNMKA-UHFFFAOYSA-N Synonym: 4-bromoacetyl pyridine hydrobromide,2-bromo-1-pyridin-4-yl ethanone hydrobromide,2-bromo-1-4-pyridinyl-1-ethanone hydrobromide,2-bromo-1-pyridin-4-yl ethan-1-one hydrobromide,ethanone, 2-bromo-1-4-pyridinyl-, hydrobromide,4-2-bromoacetyl pyridine hydrobromide,4-bromoacetylpyridine hydrobromide,2-bromo-1-pyrdin-4-ylethan-1-one hydrobromide,2-bromo-1-4-pyridinyl-1-ethanone hbr,4-bromoacetyl pyridine hbr PubChem CID: 2776239 IUPAC Name: 2-bromo-1-pyridin-4-ylethanone;hydrobromide SMILES: C1=CN=CC=C1C(=O)CBr.Br
5-Benzyloxy-6-azaindole-3-carboxaldehyde, 96%
CAS: 56795-92-7 Molecular Formula: C15H12N2O2 Molecular Weight (g/mol): 252.273 MDL Number: MFCD00191784 InChI Key: OZWLZROTVDCROC-UHFFFAOYSA-N Synonym: 5-benzyloxy-1h-pyrrolo 2,3-c pyridine-3-carbaldehyde,5-benzyloxy-1h-pyrrolo 2,3-c pyridine-3-carboxaldehyde,5-benzyloxy-6-azaindole-3-carboxaldehyde,5-phenylmethoxy pyrrolo 2,3-c pyridine-3-carbaldehyde,5-benzyloxy-1h-pyrrolo 2,3-c pyridine-3-carboxaldehyde,97,5-phenylmethoxy-1h-pyrrolo 2,3-c pyridine-3-carbaldehyde,1h-pyrrolo 2,3-c pyridine-3-carboxaldehyde,5-phenylmethoxy PubChem CID: 5114536 IUPAC Name: 5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde SMILES: C1=CC=C(C=C1)COC2=NC=C3C(=C2)C(=CN3)C=O
2-Amino-5-methylpyridine-3-carboxaldehyde, 95%
CAS: 1023814-35-8 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD09754122 InChI Key: KHLBBDOMXLJWGR-UHFFFAOYSA-N Synonym: 2-amino-5-methylnicotinaldehyde,2-amino-5-methylpyridine-3-carboxaldehyde PubChem CID: 32639818 IUPAC Name: 2-amino-5-methylpyridine-3-carbaldehyde SMILES: CC1=CN=C(C(=C1)C=O)N
Ergosterol, 96%, may cont. up to ca 6% water
CAS: 57-87-4 Molecular Formula: C28H44O MDL Number: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N PubChem CID: 444679 ChEBI: CHEBI:16933
N,N-Diethylacetoacetamide, 97%
CAS: 2235-46-3 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.213 MDL Number: MFCD00026728 InChI Key: NTMXFHGYWJIAAE-UHFFFAOYSA-N Synonym: n,n-diethylacetoacetamide,n,n-diethyl-3-oxobutyramide,diethylacetoacetamide,butanamide, n,n-diethyl-3-oxo,acetoacetamide, n,n-diethyl,1-diethylcarbamoyl-2-propanone,n,n-diethylacetylacetamide,acetoacetdiethylamide,diethylamid kyseliny acetoctove,diethylamid kyseliny acetoctove czech PubChem CID: 16699 IUPAC Name: N,N-diethyl-3-oxobutanamide SMILES: CCN(CC)C(=O)CC(=O)C
2,6-Dimethoxy-4-methylphenol, 97%
CAS: 6638-05-7 MDL Number: MFCD00017289
2-Bromo-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1-ethanone, ≥95%, Thermo Scientific™
CAS: 137577-00-5 Molecular Formula: C12H11BrN2O Molecular Weight (g/mol): 279.137 MDL Number: MFCD02681921 InChI Key: VYGXRQSIPNGJNK-UHFFFAOYSA-N Synonym: 2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl-1-ethanone,2-bromo-1-5-methyl-1-phenylpyrazol-4-yl ethanone,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl ethan-1-one,ethanone, 2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl,acmc-1c040,1-phenyl-4-2-bromoacetyl-5-methylpyrazole,4-bromoacetyl-5-methyl-1-phenyl-1h-pyrazole,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl ethanone,1-1-phenyl-5-methyl-1h-pyrazole-4-yl-2-bromoethanone,2-bromo-1-5-methyl-1-phenyl-1h-pyrazol-4-yl-ethanone PubChem CID: 2776439 IUPAC Name: 2-bromo-1-(5-methyl-1-phenylpyrazol-4-yl)ethanone SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)CBr
2-Acetylpyrazine, 99%
CAS: 22047-25-2 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.127 MDL Number: MFCD00006134 InChI Key: DBZAKQWXICEWNW-UHFFFAOYSA-N Synonym: acetylpyrazine,2-acetylpyrazine,ethanone, 1-pyrazinyl,1-pyrazin-2-yl ethan-1-one,methyl pyrazinyl ketone,2-acetyl pyrazine,ketone, methyl pyrazinyl,1-pyrazinylethanone,1-pyrazin-2-yl-ethanone,1-pyrazin-2-yl ethanone PubChem CID: 30914 IUPAC Name: 1-pyrazin-2-ylethanone SMILES: CC(=O)C1=NC=CN=C1
2,5-Dimethyl-2-hexanol, 98%
CAS: 3730-60-7 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00021814 InChI Key: JPUIYNHIEXIFMV-UHFFFAOYSA-N Synonym: 2,5-dimethyl-2-hexanol,2-hexanol, 2,5-dimethyl-, s,2-hexanol, 2,5-dimethyl,2-hexanol, 2,5-dimethyl-, s-+,acmc-209is7,2-hexanol,2,5-dimethyl,2-hexanol,5-dimethyl-, s,2-hexanol,5-dimethyl-, s-+ PubChem CID: 19506 IUPAC Name: 2,5-dimethylhexan-2-ol SMILES: CC(C)CCC(C)(C)O