Benzyl 3-hydroxybenzoate

Basic Information

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CAS Number

77513-40-7

Molecular Formula

C14H12O3

Molecular Weight

228.25 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

SMILES

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C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C14H12O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-9,15H,10H2

InChIKey

QCLMZTCDRVMSHA-UHFFFAOYSA-N

LogP

2.749200000000001

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

246

Synonyms & References

English

3-hydroxy-benzoic acid benzyl ester
AS-66257
Benzoic acid, 3-hydroxy-, phenylmethyl ester
77513-40-7
3-Benzyloxycarbonyl-phenol
Oprea1_477572
FT-0762543
DTXSID20471379
MFCD11225903
Benzyl3-hydroxybenzoate
CHEMBL443671
QCLMZTCDRVMSHA-UHFFFAOYSA-N
A914464
AKOS022326394
SY129449
Benzyl 3-hydroxybenzoate
3-hydroxybenzoic acid benzyl ester
CS-0156254
CDA51340
SCHEMBL56565
benzyl 3-hydroxybenzoate

MDL Number

MFCD11225903

FAQ

What are the physical and chemical properties of Benzyl 3-hydroxybenzoate (CAS: 77513-40-7)?

Benzyl 3-hydroxybenzoate is a white crystalline solid with a molecular weight of approximately 238.25 g/mol. It has a melting point of 68-70°C and is slightly soluble in water but more soluble in organic solvents such as ethanol and acetone. It is generally stable under normal conditions but may react with strong acids or bases. It is not flammable but should be stored in a cool, dry place away from direct sunlight.

How is Benzyl 3-hydroxybenzoate (CAS: 77513-40-7) typically synthesized?

Benzyl 3-hydroxybenzoate can be synthesized via a Friedel-Crafts acylation of hydroxybenzoic acid with benzyl chloride in the presence of a Lewis acid catalyst like aluminum chloride. The reaction is typically carried out in a polar aprotic solvent such as dichloromethane. The yield is usually around 70-80%, and the selectivity is good, with minimal formation of byproducts.

What industries use Benzyl 3-hydroxybenzoate (CAS: 77513-40-7)?

Benzyl 3-hydroxybenzoate is used in the pharmaceutical industry as a raw material for the synthesis of various drugs. It is also used in the polymer industry as a stabilizer and plasticizer. In addition, it finds applications in the fragrance industry as a flavor and fragrance component, in cosmetics, and in the food industry as a flavoring agent. It is also used in the production of sensors and semiconductors.

What precautions should be taken when handling Benzyl 3-hydroxybenzoate (CAS: 77513-40-7)?

When handling Benzyl 3-hydroxybenzoate, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. It should be handled in a well-ventilated area or under a fume hood to minimize inhalation risk. If a spill occurs, it should be cleaned up carefully, and the area should be flushed with water. In case of eye or skin contact, immediate washing with copious amounts of water is recommended. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.