Methyl 3-(4-hydroxyphenyl)propanoate

Basic Information

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CAS Number

5597-50-2

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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

38.0 to 42.0 deg-C

Boiling Point

108°C/11mmHg

Solubility

Soluble in chloroform and methanol.

Refractive Index

1.5160 (estimate)

SMILES

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COC(=O)CCC1=CC=C(C=C1)O

InChI

InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3

InChIKey

XRAMJHXWXCMGJM-UHFFFAOYSA-N

LogP

1.4978

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

160

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

5597-50-2
3-(4'-HYDROXYPHENYL)-PROPIONIC ACID-OME
3-(4-Hydroxy-phenyl)-propanoic acid methyl ester
CS-W017209
4-hydroxyhydrocinnamic acid methyl ester
AKOS005216656
CHEMBL445197
AC-5143
SMR000639229
Phloretic acid methyl ester
AMY4025
WAT13AU7XB
MFCD00071577
Methyl p-hydroxyhydrocinnamate
HMS2269F04
EN300-93776
UNII-WAT13AU7XB
3-(4-Hydroxyphenyl)propionic acid, methyl ester
Methyl 4-hydroxyhydrocinnamate
Benzenepropanoic acid, 4-hydroxy-, methyl ester
MLS001075620
Z796576156
5K3
CHEBI:176565
methyl-3-(4-hydroxyphenyl)-propionate
SY003634
METHYL-3-(4-HYDROXYPHENYL)PROPIONATE
3-(4-hydroxyphenyl)-propionic acid methyl ester
InChI=1/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H
methyl 3-(4-hydroxyphenyl) propionate
4-Hydroxybenzenepropanoic acid methyl ester

MDL Number

MFCD00071577

Customs Code

2918290000

FAQ

What is Methyl 3-(4-hydroxyphenyl)propanoate (CAS: 5597-50-2)?

Methyl 3-(4-hydroxyphenyl)propanoate (CAS: 5597-50-2) is an organic compound with the chemical formula C9H10O3. It is commonly used as a fragrance and flavoring agent in the food and perfume industries. This compound is also used in the synthesis of other chemicals, particularly in the pharmaceutical field.

What are the main uses of Methyl 3-(4-hydroxyphenyl)propanoate (CAS: 5597-50-2)?

Methyl 3-(4-hydroxyphenyl)propanoate (CAS: 5597-50-2) is primarily used as a fragrance and flavoring agent in the food and perfume industries. It is also utilized in the pharmaceutical field for the synthesis of various compounds and as an intermediate in the production of other chemicals.

Is Methyl 3-(4-hydroxyphenyl)propanoate (CAS: 5597-50-2) safe?

Methyl 3-(4-hydroxyphenyl)propanoate (CAS: 5597-50-2) is generally considered safe for use in food and fragrance applications. However, as with any chemical, it is important to handle it with care and follow safety guidelines. It is not considered toxic, but exposure to the eyes or skin should be avoided. It is advisable to use it in well-ventilated areas and to wear protective gloves when handling the compound.

How should Methyl 3-(4-hydroxyphenyl)propanoate (CAS: 5597-50-2) be stored?

Methyl 3-(4-hydroxyphenyl)propanoate (CAS: 5597-50-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It is advisable to keep it in a tightly sealed container to prevent exposure to air and moisture. Store it at room temperature or slightly below, avoiding temperatures above 30°C (86°F) to ensure stability and prevent degradation.