3-Methylbutyl salicylate

Basic Information

View in Editor

CAS Number

87-20-7

Molecular Formula

C12H16O3

Molecular Weight

208.26 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

Boiling Point

273°C

Density

1.05

Flash Point

>110 ºC

Refractive Index

1.507

SMILES

View in Editor

CC(CCOC(=O)c1ccccc1O)C

InChI

InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3

InChIKey

PMGCQNGBLMMXEW-UHFFFAOYSA-N

LogP

2.5951000000000013

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

201

Safety Information

View Safety Information

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

Isopentyl 2-hydroxybenzoate
Salicylic acid isoamyl ester
3-Methylbutyl o-hydroxybenzoate
3-Methylbutyl salicylate
Isoamyl o-hydroxybenzoate
Isoamyl Salicylate
Isoamyl Salicylate (contains 2-Methylbutyl Salicylate)
SALICYLIC ACID ISOAMYL ESTER (CONTAINS 2-METHYLBUTYL SALICYLATE)
Isopentyl 2-Hydroxybenzoate (contains 2-Methylbutyl Salicylate)
Isopentyl Salicylate (contains 2-Methylbutyl Salicylate)
Isopentyl salicylate
3-Methylbutyl 2-hydroxybenzoate
Benzoic acid, 2-hydroxy-, 3-methylbutyl ester
Salicylic acid, isopentyl ester
Isopentyl o-hydroxybenzoate
Isopentyl-2-hydroxyphenyl methanoate
Sanfoin
Orchidee
Isoamyl salicylate (natural)
iso-amyl salicylate
FEMA No. 2084
Isoamylester kyseliny salicylove
Salicylic Acid Isoamyl Ester (contains 2-Methylbutyl Salicylate)

MDL Number

MFCD00020037

Customs Code

2918230000

FAQ

What are the physical and chemical properties of 3-Methylbutyl salicylate (CAS: 87-20-7)?

3-Methylbutyl salicylate (CAS: 87-20-7) is a white crystalline solid with a molecular weight of approximately 192.23 g/mol. It is slightly soluble in water and has good solubility in organic solvents like ethanol and acetone. Chemically, it reacts with acids and bases, and exhibits reactivity typical of esters and salicylates.

How is 3-Methylbutyl salicylate (CAS: 87-20-7) typically synthesized?

3-Methylbutyl salicylate (CAS: 87-20-7) is typically synthesized by the esterification of salicylic acid with 3-methylbutanol in the presence of a catalyst such as sulfuric acid. The reaction involves the formation of an ester linkage between the carboxylic acid group of salicylic acid and the alcohol group of 3-methylbutanol.

What industries use 3-Methylbutyl salicylate (CAS: 87-20-7)?

3-Methylbutyl salicylate (CAS: 87-20-7) is used in the pharmaceutical industry for flavoring agents, in the food industry as a flavoring, and in the fragrance industry for fragrances. It is also found in some skin care products and sunscreens.

What precautions should be taken when handling 3-Methylbutyl salicylate (CAS: 87-20-7)?

When handling 3-Methylbutyl salicylate (CAS: 87-20-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up with proper spill containment materials, and contact with skin or eyes should be avoided. Refer to the Safety Data Sheet (SDS) for detailed safety information.