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104-21-2

104-21-2 Structure

104-21-2 Structure
IdentificationMore
[Name]

Anisyl acetate
[CAS]

104-21-2
[Synonyms]

4-METHOXYBENZYL ACETATE
ACETIC ACID 4-METHOXYBENZYL ESTER
ACETIC ACID ANISYL ESTER
ANISIC ACETATE
ANISYL ACETATE
ANISYL ALCOHOL ACETATE
BENZENEMETHANOL, 4-METHOXY-, ACETATE
FEMA 2098
PARA METHOXY BENZYL ACETATE
P-METHOXYBENZYL ACETATE
P-METHOXYBENZYL ALCOHOL ACETATE
4-methoxy-benzenemethanoacetate
Acetic acid p-methoxybenzyl ester
Benzyl alcohol, p-methoxy-, acetate
Cassie ketone
p-anisyl acetate
p-methoxybenzyl
Para Anisyl Acetate
ANISYL ACETATE 97+% FCC
Anisyl acetate, 98+%
[EINECS(EC#)]

203-185-8
[Molecular Formula]

C9H10O3
[MDL Number]

MFCD00038509
[Molecular Weight]

166.17
[MOL File]

104-21-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to pale yellowish liquid
[Melting point ]

84 °C
[Boiling point ]

137-139 °C12 mm Hg(lit.)
[density ]

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

12Pa at 20℃
[FEMA ]

2098
[refractive index ]

n20/D 1.513(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. sweet powdery balsam vanilla fruity plum cherry tonka
[biological source]

synthetic
[Odor Type]

powdery
[Water Solubility ]

1.982g/L(25 ºC)
[JECFA Number]

873
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
[InChIKey]

HFNGYHHRRMSKEU-UHFFFAOYSA-N
[SMILES]

COc1ccc(COC(C)=O)cc1
[LogP]

1.9 at 35℃
[CAS DataBase Reference]

104-21-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenemethanol, 4-methoxy-, acetate(104-21-2)
[EPA Substance Registry System]

104-21-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H317-H319-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

2
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29153900
[Storage Class]

10 - Combustible liquids
[Safety Profile]

Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium acetate-->Anisole-->4-Methoxybenzyl alcohol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Anisyl acetate(104-21-2).msds
Hazard InformationBack Directory
[Chemical Properties]

Anisyl acetate has a floral, fruit-like odor (pleasant, vanilla, plum, lilac) and a slight pungent, sweet taste.
[Chemical Properties]

Anisyl Acetate has been found in several types of berries. It is a colorless liquid with a fruity, slightly balsamic blossom odor and is used occasionally in sweet, floral compositions but more frequently in flavor compositions for fruity notes.
[Chemical Properties]

clear colourless to pale yellowish liquid
[Occurrence]

Reported found in vanilla and currants.
[Uses]

Perfumery, flavoring.
[Definition]

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

May be prepared by the reaction of anisic alcohol with acetic anhydride
[Production Methods]

Anisyl acetate can be produced from Anisyl alcohol by direct esterification with Acetic acid or Acetic anhydride.
[Taste threshold values]

Taste characteristics at 30 ppm: fruity, floral, vanilla, coconut, honey, cocoa, anise and licorice
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 40, p. 3647, 1975 DOI: 10.1021/jo00913a006
[Flammability and Explosibility]

Nonflammable
[Biochem/physiol Actions]

Taste at 30 ppm
[Solubility in organics]

Colorless liquid. Insoluble in water, Propylene glycol and Glycerin. Soluble in alcohol and oils.
Questions And AnswerBack Directory
[Aroma]

Mild fruity-floral, slightly balsamic-vani]ialike odor in the Plum and Lilac type, also reminiscent of certain types of Cherry.
Excellent in sweet florals such as Lilac, Acacia, Mimosa, Violet, Honeysuckle. Anisyl acetate is one of the classic ingredients to achieve the so-called "powdery" notes which are still in strong demand by the fragrance consumers. In combination with Cyclamal it produces very unusual, powerful and pleasant effects of this type.
Frequently used in flavor compositions for imitation Berry, Chocolate, Cocoa, Fruit, (Cherry), Vanilla, etc. Concentrations usually about 30 ppm. This ester performs very well in baked goods (heat-stable).
Spectrum DetailBack Directory
[Spectrum Detail]

Anisyl acetate(104-21-2)MS
Anisyl acetate(104-21-2)1HNMR
Anisyl acetate(104-21-2)13CNMR
Anisyl acetate(104-21-2)IR1
Anisyl acetate(104-21-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

104-21-2(sigmaaldrich)
[TCI AMERICA]

Acetic Acid 4-Methoxybenzyl Ester,>98.0%(GC)(104-21-2)
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