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Name	4-Isobutylbenzaldehyde	EINECS	464-400-0
CAS No.	40150-98-9	Density	0.97 g/cm³
PSA	17.07000	LogP	2.69760
Solubility	N/A	Melting Point	N/A
Formula	C₁₁H₁₄O	Boiling Point	251.112 °C at 760 mmHg
Molecular Weight	162.232	Flash Point	100.816 °C
Transport Information	N/A	Appearance	N/A
Safety	26-36/37/39	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	N/A
Synonyms	4-(2-Methylpropyl)benzaldehyde;p-(2-Methylpropyl)phenylaldehyde;p-Isobutylbenzaldehyde;	Article Data	10

4-Isobutylbenzaldehyde Synthetic route

: 110319-85-2
(4-isobutyl-phenyl)-methanol

: 40150-98-9
4-(2-methyl-1-propyl)benzaldehyde

Conditions

Conditions	Yield
With pyridinium chlorochromate In dichloromethane for 3h;	89%

: 2591-86-8
N-Formylpiperidine

: 85609-09-2
1-iodo-4-isobutylbenzene

: 40150-98-9
4-(2-methyl-1-propyl)benzaldehyde

Conditions

Conditions	Yield
With n-butyllithium	84%

: 15687-27-1
ibuprofen

A: 40150-98-9
4-(2-methyl-1-propyl)benzaldehyde

B: 38861-78-8
1-(4-isobutyl-phenyl)-ethanone

C: 43153-07-7
2-(4-formylphenyl)propanoic acid

D: 100319-40-2
1-ethyl-4-(2-methylpropyl)benzene

E: 40150-92-3
1-(4-isobutylphenyl)ethanol

F: 65813-55-0
2-(4'-isobutyrylphenyl)propionic acid

Conditions

Conditions	Yield
With 1,3,6,8-tetrahydro-2,4,5,7-pyrimido<5,4-g>pteridinetetrone; oxygen In acetonitrile for 3h; Product distribution; Mechanism; Ambient temperature; Irradiation; other reagents;	A 2.2% B 18% C 1.7% D n/a E 37.1% F 1.1%

...Expand

: 30090-17-6
4-isobutylaniline

: 40150-98-9
4-(2-methyl-1-propyl)benzaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 84 percent / BuLi View Scheme

: 38861-78-8
1-(4-isobutyl-phenyl)-ethanone

: 40150-98-9
4-(2-methyl-1-propyl)benzaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 38 percent / aq. sodium hypochlorite / 12 h / Heating 2: borane / tetrahydrofuran / 3 h / Ambient temperature 3: 89 percent / pyridinium chlorochromate / CH2Cl2 / 3 h View Scheme

: 38861-88-0
4-isobutylbenzoic acid

: 40150-98-9
4-(2-methyl-1-propyl)benzaldehyde

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: borane / tetrahydrofuran / 3 h / Ambient temperature 2: 89 percent / pyridinium chlorochromate / CH2Cl2 / 3 h View Scheme
Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide; acetonitrile 2: diisobutylaluminium hydride / toluene / -78 °C View Scheme
Multi-step reaction with 2 steps 1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide; acetonitrile / 0 - 20 °C 2: diisobutylaluminium hydride / toluene / 0.33 h / -78 °C View Scheme

: 538-93-2
1-phenyl-2-methylpropane

: 201230-82-2
carbon monoxide

: 40150-98-9
4-(2-methyl-1-propyl)benzaldehyde

Conditions

Conditions	Yield
With methyl-cyclopentane; hydrogen fluoride; boron trifluoride at -25 - -15℃; under 15001.5 Torr; for 1.5h; Product distribution / selectivity;
With hydrogen fluoride; boron trifluoride at -25 - -15℃; under 15001.5 Torr; for 1.5h; Product distribution / selectivity;

: 538-93-2
1-phenyl-2-methylpropane

: 40150-98-9
4-(2-methyl-1-propyl)benzaldehyde

Conditions

Conditions	Yield
With hydrogenchloride; aluminium trichloride In benzene

: 1404380-23-9
4-isobutyl-N-methoxy-N-methylbenzamide

: 40150-98-9
4-(2-methyl-1-propyl)benzaldehyde

Conditions

Conditions	Yield
With diisobutylaluminium hydride In toluene at -78℃;
With diisobutylaluminium hydride In toluene at -78℃; for 0.333333h;

: 507-19-7
t-butyl bromide

: 1122-91-4
4-bromo-benzaldehyde

A: 40150-98-9
4-(2-methyl-1-propyl)benzaldehyde

B: 939-97-9
4-tert-Butylbenzaldehyde

Conditions

Conditions	Yield
With pyridine; bis(acetylacetonate)nickel(II); magnesium chloride; zinc; 1,3-diisopropyl-1H-imidazol-3-ium chloride In N,N-dimethyl acetamide at 25℃; for 12h; Reagent/catalyst; Inert atmosphere; Schlenk technique; Overall yield = 76 %; Overall yield = 37.1 mg;

4-Isobutylbenzaldehyde Chemical Properties

Product Name: Benzaldehyde,4-(2-methylpropyl)- (CAS NO.40150-98-9)

Molecular Formula: C₁₁H₁₄O
Molecular Weight: 162.23g/mol
Mol File: 40150-98-9.mol
Index of Refraction: 1.531
Molar Refractivity: 51.77 cm³
Molar Volume: 167.3 cm³
Surface Tension: 34.6 dyne/cm
Density: 0.969 g/cm³
Flash Point: 100.8 °C
Enthalpy of Vaporization: 48.84 kJ/mol
Boiling Point: 251.1 °C at 760 mmHg
Vapour Pressure: 0.0208 mmHg at 25°C
XLogP3-AA: 3
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Benzaldehyde,4-(2-methylpropyl)- (CAS NO.40150-98-9):
IUPAC Name: 4-(2-methylpropyl)benzaldehyde
Canonical SMILES: CC(C)CC1=CC=C(C=C1)C=O
InChI: 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
Product Categories: Aromatic Aldehydes & Derivatives (substituted)

4-Isobutylbenzaldehyde Safety Profile

Safety Information of Benzaldehyde,4-(2-methylpropyl)- (CAS NO.40150-98-9):
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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.

4-Isobutylbenzaldehyde Specification

Benzaldehyde,4-(2-methylpropyl)- , its CAS NO. is 40150-98-9, the synonyms are 4-(2-Methylpropyl)benzaldehyde ; 4-Isobutylbenzaldehyde .

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