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Amyl salicylate

Amyl salicylate structure

CAS No:
2050-08-0
Formula:
C12H16O3
Chemical Name:
Amyl salicylate
Synonyms:
Benzoic acid,2-hydroxy-,pentyl ester;Salicylic acid,pentyl ester;Salicylic acid,amyl ester;Amyl salicylate;Pentyl salicylate;NSC 403668;NSC 44877;NSC 46125;2-Hydroxybenzoic acid pentyl ester
Categories:
Cosmetic Ingredient > Perfuming

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Description

Liquid

Amyl salicylate is a benzoate ester.

Amyl salicylate Basic Attributes

Molecular Weight：

208.25

Exact Mass：

208.25

EC Number：

218-080-2

UNII：

VZO9C30208

NSC Number：

403668|46125|44877

DSSTox ID：

DTXSID9029227

HScode：

2918230000

Characteristics

PSA：

46.53000

XLogP3：

4.36

Appearance：

Liquid

Density：

1.0552 g/cm³ @ Temp: 27 °C

Boiling Point：

270 °C

Flash Point：

113.3±12.6 °C

Refractive Index：

1.521

Water Solubility：

5 mg/L @ 20 °C (exp)

Vapor Pressure：

0.00144mmHg at 25°C

Safety Information

Transport codes：

UN 3082 9 / PGIII

RTECS Number：

VO5425000

Marks：

Precautionary statement(s)：

P273-P391-P501

Hazard Statements：

H315-H411

GHS Classification：

|Warning|H302 (11.74%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 1744 companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

pentyl salicylate

Amyl salicylate Use and Manufacturing

Methods of Manufacturing

In the presence of sulfuric acid, it is produced by the reaction of salicylic acid. In the presence of sulfuric acid, the salicylic acid dissolved in isoamyl alcohol is heated to react, and the reaction product and remaining isoamyl alcohol are distilled off, and the isoamyl alcohol after removing water is returned to the reaction. After the reaction, the obtained product was washed with water and sodium carbonate solution to remove salicylic acid. The aqueous solution of salicylate is acidified to precipitate salicylic acid, which can be reused in the reaction. The crude isoamyl salicylate was vacuum distilled. In order to improve the aroma, steam can be steamed to remove impurities in advance. The yield of isoamyl salicylate was 80%.

Uses

There are many varieties of salicylates belonging to spices, among which the most commonly used are methyl salicylate, isoamyl salicylate, and benzyl salicylate. The content of methyl salicylate in birch bark oil reaches 96%. In addition, it also has a certain content in essential oils such as cinnamon oil, ylang-ylang oil, violet oil, tuberose oil, etc., but it has not been seen that other essential oils contain other Report of salicylate. Isoamyl salicylate is the most important variety of amyl esters and the main agent for blending the essence of clover. It is used as multi-mixing agent and deodorant when preparing carnation essence. It blends well with oakmoss extract, fragrant perilla oil, geraniol, etc. This product is an organic synthetic raw material. Also used as soap essence and solvent.

Odor agents

Air care products

Production

100,000 - 500,000 lb

Manufacturing Info：

All other chemical product and preparation manufacturing|Benzoic acid, 2-hydroxy-, pentyl ester: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents|Cosmetics -> Skin conditioning

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:208.25
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isoamyl alcohol

Salicylic acid

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CAS No.: 2050-08-0

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17952-11-3
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540-18-1
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1741-83-9
β-Naphthyl salicylate Formula

613-78-5
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12789-46-7
Amyl nitrate Formula

1002-16-0
Amyl methyl ether Structure

628-80-8
Tridecyl salicylate Structure

19666-16-1
What is Trolamine salicylate

2174-16-5
What is Calcium salicylate

824-35-1

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Guide of Amyl salicylate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Amyl salicylate

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