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Isoamyl gallate

Isoamyl gallate structure

CAS No:
2486-02-4
Formula:
C12H16O5
Chemical Name:
Isoamyl gallate
Synonyms:
Benzoic acid,3,4,5-trihydroxy-,3-methylbutyl ester;Gallic acid,isopentyl ester;Isopentyl alcohol,gallate;Isoamyl gallate;Gallic acid,isoamyl ester;Isopentyl gallate;3-Methylbutyl 3,4,5-trihydroxybenzoate
Categories:
Food Additives > Food Antioxidants

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Isoamyl gallate Basic Attributes

Molecular Weight：

240.25

Exact Mass：

240.25

EC Number：

219-626-2

UNII：

R0N2645G7I

DSSTox ID：

DTXSID50179558

HScode：

2918290000

Characteristics

PSA：

86.99000

XLogP3：

2.00630

Density：

1.271g/cm3

Melting Point：

145-146 °C

Boiling Point：

450.9ºC at 760mmHg

Flash Point：

174.3ºC

Refractive Index：

1.571

Safety Information

safety instructions：

22-24/25

Isoamyl gallate Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction of isoamyl alcohol and gallic acid.

Uses

Antioxidants.

Use Classification：

Food Additives -> ANTIOXIDANT; -> JECFA Functional Classes

Food Additive Classes：

Food Additives -> ANTIOXIDANT;

Computed Properties

Molecular Weight:240.25
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:240.09977361
Monoisotopic Mass:240.09977361
Topological Polar Surface Area:87
Heavy Atom Count:17
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isoamyl alcohol