Identification | More | [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 Properties | Back 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 Data | Back 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). |
Hazard Information | Back 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.] |
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