4-Butylbenzaldehyde

Basic Information

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CAS Number

1200-14-2

Molecular Formula

C11H14O

Molecular Weight

162.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

-43°C

Boiling Point

165°C/44mmHg

Flash Point

96-98°C/5mm

Refractive Index

n20/D 1.522(lit.)

SMILES

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CCCCC1=CC=C(C=C1)C=O

InChI

InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3

InChIKey

ARIREUPIXAKDAY-UHFFFAOYSA-N

LogP

2.8417000000000012

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

123

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Air Sensitive

Synonyms & References

English

ARIREUPIXAKDAY-UHFFFAOYSA-
4-Butylbenzaldehyde
SX6J8M5Z5H
D86806
SCHEMBL219423
EN300-200684
4-Butylbenzaldehyde, 90%
InChI=1/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3
4-butylbenzaldehyd
FT-0619163
AKOS009158600
4-butyl-benzaldehyde
UNII-SX6J8M5Z5H
CHEMBL242748
B1014
butylbenzaldehyde
MFCD00040751
p-n-Butylbenzaldehyde
NS00023899
DTXSID0061616
p-Butylbenzaldehyde
Benzaldehyde, 4-butyl-
J-004241
AS-57770
p-butyl-benzaldehyde, h
1200-14-2
BENZALDEHYDE, P-BUTYL-
4-N-BUTYLBENZALDEHYDE
A804413
EINECS 214-851-2
BDBM85653

MDL Number

MFCD00040751

Customs Code

2912299000

FAQ

What are the physical and chemical properties of 4-Butylbenzaldehyde (CAS: 1200-14-2)?

4-Butylbenzaldehyde (CAS: 1200-14-2) is a colorless or light yellow liquid with a melting point of -33°C and a boiling point of 217-219°C. It has a molecular weight of 142.22 g/mol and a density of 0.923 g/cm³. The compound is slightly soluble in water but soluble in ethanol, acetone, and ether. It is reactive towards nucleophiles and can undergo condensation reactions easily.

How is 4-Butylbenzaldehyde (CAS: 1200-14-2) typically synthesized?

4-Butylbenzaldehyde is typically synthesized by the reduction of 4-butoxybenzaldehyde with sodium borohydride or lithium aluminum hydride. The reaction is conducted in a solvent such as ethanol or methanol at a temperature range of 0-25°C. The yield is generally around 85-90%, and the method involves careful handling to prevent over-reduction and the formation of 4-Butylphenol.

What industries use 4-Butylbenzaldehyde (CAS: 1200-14-2)?

4-Butylbenzaldehyde (CAS: 1200-14-2) is used in the pharmaceutical industry for the synthesis of various organic compounds and as a fragrance component in the perfume industry. It is also used in the polymer industry as a monomer and in the production of sensors and semiconductors due to its chemical reactivity and functionality.

What precautions should be taken when handling 4-Butylbenzaldehyde (CAS: 1200-14-2)?

When handling 4-Butylbenzaldehyde (CAS: 1200-14-2), appropriate personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and away from sources of heat or ignition. Spills should be handled with care, using absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.