3-(Benzyloxy)propanoic acid

Basic Information

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CAS Number

27912-85-2

Molecular Formula

C10H12O3

Molecular Weight

180.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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C1=CC=C(C=C1)COCCC(=O)O

InChI

InChI=1S/C10H12O3/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)

InChIKey

OZGUGVRKYBSDBN-UHFFFAOYSA-N

LogP

1.6779

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

150

Synonyms & References

English

3-Benzyloxypropanoic Acid
3-BENZYLOXYPROPANOIC ACID,OFF-WHITE SOLIDS
3-Benzyloxy-propionic acid
3-phenylmethoxypropanoic acid
3-O-benzyl propionic acid
3-(benzyloxy)propanoic acid
OZGUGVRKYBSDBN-UHFFFAOYSA-N
SY110459
DA-17428
27912-85-2
Z316258802
3-BENZYLOXYPROPIONIC ACID
AKOS000194908
3-(benzyloxy)propanoicacid
SCHEMBL508419
DTXSID30575690
E10175
J-016917
AS-19409
Propanoic acid, 3-(phenylmethoxy)-
3-Benzyloxypropionic Acid; 3-(Phenylmethoxy)propanoic Acid;
EN300-51492
MFCD09951713
CS-0067527
3-(Phenylmethoxy)propanoic Acid

MDL Number

MFCD09951713

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 3-(Benzyloxy)propanoic acid (CAS: 27912-85-2)?

3-(Benzyloxy)propanoic acid is a colorless solid with a molecular weight of approximately 220.26 g/mol. It has a pKa of about 4.5. The compound is sparingly soluble in water but more soluble in organic solvents like ethanol and acetone. It is reactive towards nucleophiles and can undergo esterification and other acid-catalyzed reactions.

How is 3-(Benzyloxy)propanoic acid (CAS: 27912-85-2) typically synthesized?

3-(Benzyloxy)propanoic acid can be synthesized via the reaction of benzyloxymethyl chloride with propanoic acid in the presence of a base like sodium hydride. The reaction is typically performed under anhydrous conditions, and the product is isolated via recrystallization from a suitable solvent. The yield is generally around 70-85%, and the reaction is considered to be selective.

What industries use 3-(Benzyloxy)propanoic acid (CAS: 27912-85-2)?

3-(Benzyloxy)propanoic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the chemical industry for the production of polymers and in the sensor industry due to its reactivity and functional groups. Additionally, it is utilized in the semiconductor industry for specific applications requiring specific chemical functionalities.

What precautions should be taken when handling 3-(Benzyloxy)propanoic acid (CAS: 27912-85-2)?

When handling 3-(Benzyloxy)propanoic acid, it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Fume hoods should be used during operations to minimize exposure. In case of spills, they should be handled according to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) guidelines. Always consult the SDS for detailed safety information and emergency procedures.