ChemicalBook--->CAS DataBase List--->40150-98-9

40150-98-9

40150-98-9 Structure

40150-98-9 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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 InformationBack 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 DetailBack 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 InformationBack Directory
[TCI AMERICA]

4-Isobutylbenzaldehyde,>95.0%(GC)(40150-98-9)
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