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Methyl phenylacetate

Methyl phenylacetate

CAS: 101-41-7

Molecular Formula: C9H10O2

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Methyl phenylacetate - Names and Identifiers

Name Methyl phenylacetate
Synonyms FEMA 2733
METHYL A-TOLUATE
Methyl alpha-toluate
Methyl phenylacetate
METHYL PHENYLACETATE
METHYL BENZYLFORMATE
METHYL ALPHA-TOLUATE
Phenylacetic acid methyl ester
Phenylacetic Acid Phenylacetate
Acetic acid, phenyl-, methyl ester
2,5-Bis-(2,2,2-Trifluoroethoxy) Benzoic Acid
CAS 101-41-7
EINECS 202-940-9
InChI InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey CRZQGDNQQAALAY-UHFFFAOYSA-N

Methyl phenylacetate - Physico-chemical Properties

Molecular FormulaC9H10O2
Molar Mass150.17
Density1.066 g/mL at 20 °C (lit.)
Melting Point107-115 °C
Boling Point218 °C (lit.)
Flash Point195°F
JECFA Number1008
Water SolubilityMiscible with water.
Solubility Chloroform (Slightly), Methanol (Slightly)
Vapor Presure16.9-75Pa at 20℃
Appearanceneat
ColorColourless
Merck14,7268
BRN878795
Storage ConditionStore below +30°C.
StabilityStable. Combustible. Incompatible with strong oxidizing agents, strong bases.
Refractive Indexn20/D 1.503(lit.)
Physical and Chemical PropertiesCharacteristics of colorless liquid, honey-like flavor.
boiling point 218 ℃
relative density 1.0633
refractive index 1.5075
solubility: miscible with ethanol and ether, soluble in acetone, insoluble in water.
UseUsed as a spice, for the preparation of honey, chocolate, tobacco and other types of flavor

Methyl phenylacetate - Risk and Safety

Hazard SymbolsXn - Harmful
Harmful
Risk CodesR21 - Harmful in contact with skin
Safety DescriptionS23 - Do not breathe vapour.
S24/25 - Avoid contact with skin and eyes.
WGK Germany2
RTECSAJ3175000
TSCAYes
HS Code29163500
ToxicityThe acute oral LD50 in rats was reported as 2.55 g/kg (1.67-3.43 g/kg) and the acute dermal LD50 in rabbits as 2.4 g/kg (0.15-4.7 g/kg) (Moreno, 1974).

Methyl phenylacetate - Upstream Downstream Industry

Raw MaterialsPhenylacetonitrile
Phenylacetonitrile
Methyl alcohol
Methyl alcohol
Sulfuric acid
Sulfuric acid

Methyl phenylacetate - Reference Information

FEMA2733 | METHYL PHENYLACETATE
LogP1.91-2.09 at 21.9-25℃
NIST chemical information Information provided by: webbook.nist.gov (external link)
EPA chemical information Information provided by: ofmpub.epa.gov (external link)
properties colorless liquid. Aroma: Strong, sweet and delicate honey-like fragrance. Relative density (water = 1):1.061-1.069. Solubility: miscible with ethanol and ether, soluble in acetone, insoluble in water.
application methyl phenylacetate is used in the formulation of edible flavors, and is used to prepare honey, chocolate, tobacco and other flavors; it can also be used in daily chemical flavors, Used to prepare roses, oriental flavors and other flavors. IFRA has no restrictions.
content analysis determined by method 1 in ester determination method (OT-18). The amount of sample taken is 1g. The equivalent factor (e) in the calculation is 75.09. Or by gas chromatography (GT-10-4) with non-polar column method.
toxicity ADI has not yet been specified (FAO/WHO,1994). LD502550 mg/kg (rat, oral).
usage limit FEMA(mg/kg): soft drink 3.9; Cold drink 2.5; Candy 13; Baked food 12; Pudding 0.10; Gum sugar 11; Syrup 37. Moderate limit (FDA § 172.515,2000).
Use Used as a spice to prepare honey, chocolate, tobacco and other flavors
Methyl phenylacetate is used as a reagent for the synthesis of various organic reactions, one of which is the synthesis of methyl occipital acid; a lichen metabolite with anti-inflammatory properties.
Methyl phenylacetate has a honey-like sweetness and a slight musk aroma. It is often used to prepare floral flavors, such as roses, wild rose and other flavors, tobacco and soap. The product is also used in organic synthesis and the manufacture of drugs atropine and anisodamine (synthesis method).
production method obtained by hydrolysis and esterification of phenylacetonitrile. Add methanol into a dry glass-lined reaction pot, stir and cool to below 30 ℃, add sulfuric acid dropwise, raise the temperature to 90 ℃ after adding, start adding phenylacetonitrile dropwise, control the temperature at about 95 ℃, and add it in 1.5h. After reacting at 95-100 ℃ for 6h, cool to below 40 ℃, add water equivalent to about 0.6 times of the reaction solution to dilute. Statically separate acid water, add sodium carbonate saturated solution for neutralization, washing, and discard the water layer. Dehydration with anhydrous calcium chloride and fractionation under reduced pressure to obtain methyl phenylacetate with 80% yield. Another preparation method is to pass hydrogen chloride, anhydrous methanol and water under reflux to saturation, place for 2-3h, and heat for 1h to produce the product.
It is made by methyl esterification of phenylacetic acid or phenylacetonitrile.
toxic substance data information provided by: pubchem.ncbi.nlm.nih.gov (external link)
Last Update：2024-04-09 02:00:05
Methyl phenylacetate
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CAS: 101-41-7
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Jiangsu Pules Biotechnology Co.,Ltd.
Product Name: Methyl phenylacetate Request for quotation
CAS: 101-41-7
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Hefei TNJ Chemical Industry Co.,Ltd.
Product Name: Methyl phenylacetate Request for quotation
CAS: 101-41-7
Tel: 0086-551-65418684
Email: sales@tnjchem.com
　　　　 info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840 Click to send a QQ message
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Shanghai Worldyang Chemical Co.,Ltd.
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CAS: 101-41-7
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Email: charles7788@worldyachem.com
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View History
Methyl phenylacetate
Raw Materials for Methyl phenylacetate
Phenylacetonitrile
Phenylacetonitrile
Methyl alcohol
Methyl alcohol
Sulfuric acid
Sulfuric acid
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