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Isopropyl salicylate

Isopropyl salicylate structure

CAS No:
607-85-2
Formula:
C10H12O3
Chemical Name:
Isopropyl salicylate
Synonyms:
Benzoic acid,2-hydroxy-,1-methylethyl ester;Salicylic acid,isopropyl ester;Isopropyl salicylate;Isopropyl o-hydroxybenzoate;2-Hydroxybenzoic acid isopropyl ester
Categories:
Agrochemicals > Pesticide Intermediates

Description

clear colourless to very slightly yellow liquid

Isopropyl salicylate is a benzoate ester that is the isopropyl ester of salicylic acid. It is a benzoate ester, a member of phenols, a member of salicylates and an isopropyl ester. It derives from a salicylic acid.

Isopropyl salicylate Basic Attributes

Molecular Weight：

180.2

Exact Mass：

180.20

EC Number：

210-143-2

DSSTox ID：

DTXSID1060556

HScode：

2918230000

Characteristics

PSA：

46.53000

XLogP3：

1.95740

Appearance：

Clear colorless to very slightly yellow Liquid

Density：

1.06

Boiling Point：

238 °C

Flash Point：

122°C/18mm

Refractive Index：

1.509-1.511

Safety Information

hazard class code：

51/53

safety instructions：

24/25-61

Marks：

GHS Classification：

|H411 (97.44%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Isopropyl salicylate Use and Manufacturing

Uses

Used as pesticide intermediate

Manufacturing Info：

Benzoic acid, 2-hydroxy-, 1-methylethyl ester: INACTIVE

Computed Properties

Molecular Weight:180.20
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methyl salicylate

Isopropanol

Salicylic acid

Downstream Products

Methyl salicylate

Isocarbophos

Salicylic acid

Cumene

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