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Methyl 2-acetoxybenzoate

Methyl 2-acetoxybenzoate structure

CAS No:
580-02-9
Formula:
C10H10O4
Chemical Name:
Methyl 2-acetoxybenzoate
Synonyms:
Benzoic acid,2-(acetyloxy)-,methyl ester;Salicylic acid acetate,methyl ester;Salicylic acid,methyl ester,acetate;Acetylsalicylic acid,methyl ester;Methyl acetylsalicylate;Methyl aspirin;Methyl rhodin;Methylrhodine;Methyl O-acetylsalicylate;Methyl o-acetoxybenzoate;Aspirin methyl ester;Methyl 2-acetoxybenzoate;NSC 403847
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Description

White crystals.

Methyl 2-acetoxybenzoate Basic Attributes

Molecular Weight：

194.18

Exact Mass：

194.18

EC Number：

209-450-4

UNII：

7FX481V180

NSC Number：

403847

DSSTox ID：

DTXSID20206724

HScode：

2918229000

Characteristics

PSA：

52.60000

XLogP3：

1.39850

Appearance：

colorless flake crystals

Density：

1.177g/cm3

Melting Point：

51.5 °C

Boiling Point：

134-136 °C

Flash Point：

121.4ºC

Refractive Index：

1.51

Water Solubility：

2.81g/L(21 ºC)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

R11:Highly Flammable.

safety instructions：

S16-S29-S33-S15

Marks：

Drug Information

MeSH Entry Terms：

acetylsalicylic acid methyl ester

Methyl 2-acetoxybenzoate Use and Manufacturing

Methods of Manufacturing

From methyl salicylate and acetic anhydride by acetylation reaction. After mixing 2kg of methyl salicylate, 2kg of acetic anhydride and 15ml of concentrated sulfuric acid uniformly, it was placed at 40℃ for 40min. Under stirring, the reaction mixture was slowly poured into 15L of cold water containing seed crystals, and allowed to stand for 6h, and the crystals were filtered off. After washing thoroughly with water and drying, 2.4 kg of methyl acetylsalicylate can be obtained, with a melting point of 47-49°C and a yield of 95%. Uses: Used as a fragrance fixative.

Uses

Fixative for perfumes.

Computed Properties

Molecular Weight:194.18
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:194.05790880
Monoisotopic Mass:194.05790880
Topological Polar Surface Area:52.6
Heavy Atom Count:14
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes