ChemicalBook--->CAS DataBase List--->122-91-8

122-91-8

122-91-8 Structure

122-91-8 Structure
IdentificationBack Directory
[Name]

4-METHOXYBENZYL FORMATE
[CAS]

122-91-8
[Synonyms]

anisyl
FEMA 2101
ANISYL FORMATE
p-Anisyl formate
Natural Anisyl formate
4-METHOXYBENZYL FORMATE
ANISYL FORMATE USP/EP/BP
ANISYL FORMATE 90+% FCC
(4-methoxyphenyl)methyl formate
4-methoxy-benzenemethanoformate
Formic acid 4-methoxybenzyl ester
Formic acid p-methoxybenzyl ester
(4-methoxyphenyl)methyl methanoate
Benzenemethanol,4-methoxy-,formate
Benzenemethanol, 4-methoxy-, 1-formate
[EINECS(EC#)]

204-582-9
[Molecular Formula]

C9H10O3
[MDL Number]

MFCD00021045
[MOL File]

122-91-8.mol
[Molecular Weight]

166.17
Chemical PropertiesBack Directory
[Boiling point ]

220 °C(lit.)
[density ]

1.035 g/mL at 25 °C(lit.)
[vapor pressure ]

6.159Pa at 25℃
[FEMA ]

2101 | ANISYL FORMATE
[refractive index ]

n20/D 1.523(lit.)
[Fp ]

113 °C
[Odor]

at 100.00 %. fruity floral anisic vanilla seaweed
[Odor Type]

spicy
[Water Solubility ]

2.679g/L at 25℃
[JECFA Number]

872
[LogP]

1.61 at 25℃
[Uses]

A synthetic flavoring agent that is a fairly stable, colorless to light yellow liquid of floral odor. It should be stored in glass, tin, or resin-lined containers. It is used in berry flavors for applications in beverages, candy, and baked goods at 3–10 ppm.
[EPA Substance Registry System]

Benzenemethanol, 4-methoxy-, formate (122-91-8)
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid; lilac odor. Soluble in 5.5 volumes of 70% alcohol. Combustible.
[Occurrence]

Reported found in Vanilla fragrans and Ribes species.
[Definition]

ChEBI: 4-Methoxybenzyl formate is a carboxylic ester. It is functionally related to a benzyl alcohol.
[Preparation]

By direct esterification of anisic alcohol with formic acid.
[Aroma threshold values]

Odor characteristics are sweet, spicy, vanilla-like with powdery fruity nuances.
[Taste threshold values]

Taste characteristics at 50 ppm: sweet, vanilla, spice, with fruity heliotropine-like nuances.
[Flammability and Explosibility]

Notclassified
[Metabolism]

Esters of benzyl alcohol, such as the acetate, are rapidly hydrolysed in vivo to benzyl alcohol, which is then oxidized. The expected general reaction of primary aromatic alcohols in the animal body is oxidation to the corresponding aromatic acid, which is usually excreted as a glycine conjugate and to a lesser extent as an ester glucuronide. In rabbits, benzyl alcohol is almost entirely converted to benzoic acid, which is excreted mainly as hippuric acid . In substituted anisoles with a carboxyl group or a potential carboxyl group attached to the aromatic ring, the ether link is relatively stable(Williams, 1959).
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[Toxicity]

The acute oral LD50 value in rats was reported as 1.55 ml/kg and the acute dermal LD50 value in rabbits exceeded 5 g/kg(Levenstein, 1975).
Spectrum DetailBack Directory
[Spectrum Detail]

ANISYL FORMATE(122-91-8)1HNMR
ANISYL FORMATE(122-91-8)FT-IR
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