40150-98-9

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40150-98-9 Structure

Identification	More
[Name] 4-Isobutylbenzaldehyde
[CAS] 40150-98-9
[Synonyms] 4-ISOBUTYLBENZALDEHYDE P-ISOBUTYLBENZALDEHYDE isobutylbenzaldehyde 4-lsobutylbenzaldehyde 4-ISOBUTYLBENZALDEHYDE 95+% 1-Formyl-4-(2-methylpropyl)benzene
[EINECS(EC#)] 609-787-0
[Molecular Formula] C11H14O
[MDL Number] MFCD00075760
[Molecular Weight] 162.23
[MOL File] 40150-98-9.mol

Chemical Properties	Back Directory
[Boiling point ] 258 °C
[density ] 0,96 g/cm³
[refractive index ] 1.5210-1.5250
[storage temp. ] under inert gas (nitrogen or Argon) at 2-8°C
[solubility ] Chloroform (Slightly), Methanol (Slightly)
[form ] Oil
[color ] Clear Colourless
[InChI] 1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3
[InChIKey] LXPWGAZYJHUWPM-UHFFFAOYSA-N
[SMILES] CC(C)Cc1ccc(C=O)cc1
[LogP] 3.510 (est)
[CAS DataBase Reference] 40150-98-9(CAS DataBase Reference)
[EPA Substance Registry System] 40150-98-9(EPA Substance)

Safety Data	Back Directory
[Risk Statements ] R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ] 3
[TSCA ] TSCA listed
[HS Code ] 2912290090
[Storage Class] 10 - Combustible liquids

Hazard Information	Back Directory
[Uses] 4-(2-Methylpropyl)benzaldehyde is used in the synthesis of novel analgesis and antiimflammatory agents, inhibitors of COX-2 enzymes. Also used in the synthesis of inhibitors of breast cancer stem cells.

Spectrum Detail	Back Directory
[Spectrum Detail] 4-Isobutylbenzaldehyde(40150-98-9)MS 4-Isobutylbenzaldehyde(40150-98-9)¹HNMR 4-Isobutylbenzaldehyde(40150-98-9)¹³CNMR 4-Isobutylbenzaldehyde(40150-98-9)IR1

Well-known Reagent Company Product Information	Back Directory
[TCI AMERICA] 4-Isobutylbenzaldehyde,>95.0%(GC)(40150-98-9)

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