Methyl 5-Allyl-3-methoxysalicylate

Basic Information

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CAS Number

85614-43-3

Molecular Formula

C12H14O4

Molecular Weight

222.24 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

Melting Point

54-58 °C

Boiling Point

174°C/12mmHg

Density

1.144

Flash Point

>110 ºC

Refractive Index

1.535

SMILES

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C=CCc1cc(OC)c(c(c1)C(=O)OC)O

InChI

InChI=1S/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3

InChIKey

LYSUGZLJKRSLHM-UHFFFAOYSA-N

LogP

1.9159000000000002

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

251

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

Synonyms & References

English

Methyl 5-allyl-2-hydroxy-3-methoxybenzoate
Methyl 5-Allyl-3-Methoxysalicylate
2-?hydroxy-?3-?methoxy-?5-?(2-?propen-?1-?yl)?Benzoic acid methyl ester
methyl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
Methyl 5-Allyl-3-met
5-Allyl-2-hydroxy-3-methoxybenzoic Acid Methyl Ester
5-Allyl-3-methoxysalicylic Acid Methyl Ester
Methyl 5-Allyl-2-Hydroxy-3-Methoxy Benzoate
Benzoic acid, 2-hydroxy-3-methoxy-5-(2-propenyl)-, methyl ester
KSC496K1L
2-hydroxy-3-methoxy-5-(2-propenyl)benzoic acid methyl ester
methyl 3-methoxy-5-allylsalicylate

MDL Number

MFCD04038819

Customs Code

2918990090

FAQ

What regulatory guidelines apply to Methyl 5-Allyl-3-methoxysalicylate (CAS: 85614-43-3)?

Methyl 5-Allyl-3-methoxysalicylate (CAS: 85614-43-3) is regulated under GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for classification as a flammable liquid and skin irritant. It is also subject to REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) in the European Union, requiring manufacturers and importers to register and comply with specific safety data sheets requirements. FDA and EPA regulations in the US might apply based on its intended use, such as in food additives or cosmetics.

Are there alternatives to Methyl 5-Allyl-3-methoxysalicylate (CAS: 85614-43-3) in synthesis?

There are several alternatives to Methyl 5-Allyl-3-methoxysalicylate in synthesis, including Methyl 5-allyl-3-hydroxysalicylate and Methyl 5-propenylsalicylate. These compounds can serve similar functions depending on the desired properties and the specific application in fragrance or flavor synthesis. Common alternative reagents include other salicylates, phenylacetic acid derivatives, and aldehydes.

What is the market or research trend for Methyl 5-Allyl-3-methoxysalicylate (CAS: 85614-43-3)?

The market for Methyl 5-Allyl-3-methoxysalicylate (CAS: 85614-43-3) is growing in the fragrance and flavor industry due to its unique floral and fruity notes. Research trends are focusing on its use in natural and organic products, as well as in the development of new scents and flavors. Price trends show a steady demand, with minor fluctuations based on supply and raw material costs. Emerging research fields include its potential applications in topical pharmaceuticals and cosmetic products.

How should waste containing Methyl 5-Allyl-3-methoxysalicylate (CAS: 85614-43-3) be handled?

Waste containing Methyl 5-Allyl-3-methoxysalicylate (CAS: 85614-43-3) should be handled by collecting and storing in appropriate containers, ensuring proper labeling and containment to prevent spillage. The waste should then be disposed of via incineration or professional waste disposal services that comply with local regulations. Environmental protection precautions include using personal protective equipment (PPE) and following safe handling procedures to minimize exposure and environmental impact.