4-(Benzyloxy)-4-oxobutanoic acid

Basic Information

View in Editor

CAS Number

103-40-2

Molecular Formula

C11H12O4

Molecular Weight

208.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

368.5℃ at 760 mmHg

SMILES

View in Editor

C1=CC=C(C=C1)COC(=O)CCC(=O)O

InChI

InChI=1S/C11H12O4/c12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

InChIKey

UGUBQKZSNQWWEV-UHFFFAOYSA-N

LogP

1.5946

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

219

Safety Information

View Safety Information

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

Synonyms & References

English

Butanedioic Acid Monobenzyl Ester
3-(benzyloxycarbonyl)propanoic acid
monobenzyl succinate
Succinicacidmonobenzylester
UNII-R1X1431M4O
SCHEMBL827012
AS-10505
NCGC00175200-02
TimTec1_000712
SR-01000596908-1
BDBM50473781
R1X1431M4O
4-oxo-4-phenylmethoxybutanoic acid
NCGC00175200-01
SUCCINIC ACID, BENZYL ESTER
Succinic acid monobenzyl ester
Q27287684
Mono-O-benzylsuccinic acid
Benzyl hydrogen succinate
beta-carbobenzyloxypropionic acid
FT-0753199
AM9976
Butanedioic acid monobenzylester
SY022564
AB01330291-02
SR-01000596908
4-(benzyloxy)-4-oxobutanoicacid
HMS1536A08
3-benzyloxycarbonylpropionic acid
DTXSID20145609
UGUBQKZSNQWWEV-UHFFFAOYSA-N

MDL Number

MFCD00447717

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 4-(Benzyloxy)-4-oxobutanoic acid (CAS: 103-40-2)?

4-(Benzyloxy)-4-oxobutanoic acid is a white crystalline solid with a molecular weight of 212.23 g/mol. It has low water solubility and good solubility in organic solvents such as ethanol and acetone. The compound is relatively stable under normal conditions but can react with strong bases and oxidizing agents. It has a pKa around 4.2.

How is 4-(Benzyloxy)-4-oxobutanoic acid (CAS: 103-40-2) typically synthesized?

4-(Benzyloxy)-4-oxobutanoic acid is typically synthesized via the condensation of benzyloxyacetic acid and acetic anhydride. The reaction is catalyzed by a strong acid like sulfuric acid, and it yields 95% pure product with good selectivity. The reaction is carried out in anhydrous conditions to prevent hydrolysis.

What industries use 4-(Benzyloxy)-4-oxobutanoic acid (CAS: 103-40-2)?

4-(Benzyloxy)-4-oxobutanoic acid is used in the pharmaceutical industry as a precursor for the synthesis of various bioactive compounds. It is also utilized in the polymer industry for modifying the properties of polymers. Additionally, it has applications in the sensor and semiconductor industries due to its reactivity and stability.

What precautions should be taken when handling 4-(Benzyloxy)-4-oxobutanoic acid (CAS: 103-40-2)?

When handling 4-(Benzyloxy)-4-oxobutanoic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a cool, dry place away from heat sources and oxidizing agents. In case of spill, the area should be well-ventilated and the spill cleaned up using absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.