| 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.] |
| Questions And Answer | Back Directory | [Uses in Perfume]
Used in perfume compositions for its mildly
animal notes, honey-character and power. In
trace amounts, it may impart pleasant nuances
in MugueI, Rose, Lily, Sweet Pea, Orangeblossom. Clover, Oriental bases and numerous
types of "waxy" odor. In combination with
lower alkyl cinnamates and in higher concentration, it creates the typical "low-cost
Oriental" note. |
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