ChemicalBook--->CAS DataBase List--->101-97-3

101-97-3

101-97-3 Structure

101-97-3 Structure
IdentificationMore
[Name]

Phenylacetic acid ethyl ester
[CAS]

101-97-3
[Synonyms]

ALPHA-TOLUIC ACID, ETHYL ESTER
A-TOLUIC ACID ETHYL ESTER
BENZENEACETIC ACID ETHYL ESTER
ETHYL ALPHA-TOLUATE
ETHYL A-TOLUATE
ETHYL PHENYLACETATE
FEMA 2452
PHENYLACETIC ACID ETHYL ESTER
RARECHEM AL BI 0140
Benzeneaciticacidethylester
ethyl 2-phenylacetate
Ethyl 2-phenylethanoate
Ethyl benzeneacetate
Ethyl phenacetate
Ethyl phenylethanoate
ethyl2-phenylacetate
ethyl2-phenylethanoate
ethylbenzeneacetate
ethylphenacetate
phenyl-aceticaciethylester
[EINECS(EC#)]

202-993-8
[Molecular Formula]

C10H12O2
[MDL Number]

MFCD00009178
[Molecular Weight]

164.2
[MOL File]

101-97-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to pale yellowish liquid
[Melting point ]

-29 °C
[Boiling point ]

229 °C(lit.)
[density ]

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

22.7Pa at 20℃
[FEMA ]

2452
[refractive index ]

n20/D 1.497(lit.)
[Fp ]

172 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

neat
[color ]

Colourless
[Odor]

at 10.00 % in dipropylene glycol. sweet floral honey rose balsam cocoa
[Odor Type]

floral
[Water Solubility ]

insoluble
[Detection Methods]

GC
[JECFA Number]

1009
[Merck ]

14,3840
[BRN ]

509140
[Dielectric constant]

5.4(21℃)
[InChIKey]

DULCUDSUACXJJC-UHFFFAOYSA-N
[LogP]

2.36 at 22℃
[CAS DataBase Reference]

101-97-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetic acid, ethyl ester(101-97-3)
[EPA Substance Registry System]

101-97-3(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

2
[RTECS ]

AJ2824000
[TSCA ]

Yes
[HS Code ]

29163500
[Safety Profile]

Moderately toxic by ingestion. Combustible liquid. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
[Hazardous Substances Data]

101-97-3(Hazardous Substances Data)
[Toxicity]

The acute oral LD50 value in rats was reported as 3.30g/kg(2.52-4.08 g/kg) (Moreno,1973).The acute dermal LD50 in rabbits was reported as > 5g/kg(Moreno, 1973).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzeneacetonitrile-->Phenylacetic acid-->2-Phenylacetamide-->Diethyl malonate-->Iodobenzene
[Preparation Products]

Phenethyl alcohol-->Acetamide-->Phenthoate-->2-PHENYLMALONAMIDE-->Phenobarbital-->Diethyl 2-ethyl-2-phenylmalonate-->BUCILLAMINE-->1-Phenyl-1-cyclopropanecarboxylic acid-->ETHYL ALPHA-CHLOROPHENYLACETATE-->Diethyl phenylmalonate-->ETHYL A-ETHOXYOXALYLPHENYL ACETATE-->INDENO[2,1-A]INDENE,5,10-DIHY-->Ethyl alpha-Formyl Benzeneacetic Acid Ester-->Leucoson-->endo-(±)-8-aza-8-isopropylbicyclo[3.2.1]oct-3-yl (hydroxymethyl)phenylacetate-->ETHYL 2-PHENYLPROPIONATE-->ETHYL 2-(2-CHLOROPHENYL)ACETATE-->4-CARBOXYPHENYLACETIC ACID
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Phenylacetic acid ethyl ester(101-97-3).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colourless to pale yellowish liquid
[Chemical Properties]

Ethyl phenylacetate has a pleasant, strong, sweet odor suggestive of honey and a bittersweet flavor.
[Chemical Properties]

Ethyl Phenylacetate is a volatile aroma component of fruit and honey. It is a colorless liquid with a strong, sweet odor reminiscent of honey. Small amounts are used in flower perfumes and in fruit flavors.
[Occurrence]

Reported found in grapefruit juice, apple juice, figs, guava, pineapple, papaya, cognac, cider, grape wines and port wine.
[Uses]

In perfumery.
[Definition]

ChEBI: Ethyl phenylacetate is a member of benzenes. It is a less toxic, greener solvent. It is non-mutagenic.
[Preparation]

By heating at the boil phenylacetonitrile and sulfuric acid in alcohol solution; by esterification of the acid catalyzed by HCl or H2SO4
[Aroma threshold values]

Detection: 650 ppb
[Taste threshold values]

Taste characteristics at 10 ppm: sweet, fruity, honey, cocoa, apple and woody
[General Description]

Ethyl phenylacetate is a less toxic, greener solvent. It is non-mutagenic.
[Flammability and Explosibility]

Nonflammable
[Biochem/physiol Actions]

Taste at 5 to 10 ppm
[Purification Methods]

Shake the ester with saturated aqueous Na2CO3 (three times), aqueous 50% CaCl2 (twice) and saturated aqueous NaCl (twice). Dry with CaCl2 and distil it under reduced pressure. [Beilstein 9 H 434, 9 IV 1618.]
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl phenylacetate(101-97-3)MS
Ethyl phenylacetate(101-97-3)1HNMR
Ethyl phenylacetate(101-97-3)13CNMR
Ethyl phenylacetate(101-97-3)IR1
Ethyl phenylacetate(101-97-3)IR2
Ethyl phenylacetate(101-97-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl phenylacetate, 99%(101-97-3)
[Alfa Aesar]

Ethyl phenylacetate, 99%(101-97-3)
[Sigma Aldrich]

101-97-3(sigmaaldrich)
[TCI AMERICA]

Ethyl Phenylacetate,>99.0%(GC)(101-97-3)
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