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101-97-3,MFCD00009178
Catalog No.:AA0003DX
101-97-3 | Benzeneacetic acid, ethyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
99%
2 weeks  
$64.00   $45.00
- +
100g
99%
2 weeks  
$70.00   $49.00
- +
250g
99%
2 weeks  
$84.00   $59.00
- +
500g
99%
2 weeks  
$86.00   $60.00
- +
1000g
98%
2 weeks  
$119.00   $84.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0003DX
Chemical Name:
Benzeneacetic acid, ethyl ester
CAS Number:
101-97-3
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00009178
IUPAC Name:
ethyl 2-phenylacetate
InChI:
InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
DULCUDSUACXJJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccccc1
EC Number:
202-993-8
UNII:
V6CNZ04D8O
FEMA Number:
2452
Properties
Computed Properties
 
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
EPhA ester 
ethyl phenylacetate 
Ethyl phenylethanoate 
alpha-toluic acid ethyl ester 
Benzeneacetic acid ethyl ester 
CID7590 
Ethyl phenylacetate, 99% 100g 
C10H12O2 
C10-H12-O2 
CYCLOHEXANEACETIC ACID, ETHYL ESTER 
Ethyl phenylacetate, 99% - 250G 250g 
5452-75-5 
103-45-7 
Phenylacetic acid, ethyl ester 
Ethyl alpha-toluate 
Acetic acid, phenyl-, ethyl ester 
alpha-Toluic acid, ethyl ester 
UNII-V6CNZ04D8O 
NSC 406259 
Phenyl-acetic acid ethyl ester 
FEMA No. 2452 
Ethyl .alpha.-toluate 
ETHYL PHENYLACETATE 
2-Phenyl ethyl acetate 
EINECS 202-993-8 
BRN 0509140 
V6CNZ04D8O 
AI3-00654 
Phenyl-acetic acid, ethyl ester 
.alpha.-Toluic acid, ethyl ester 
DULCUDSUACXJJC-UHFFFAOYSA-N 
PHENYL-ACETIC ACID,ETHYL ESTER 
WLN: 2OV1R 
ethyl 2-phenylacetate 
ethyl phenyl acetate 
Ethyl alpha -toluate 
Ethyl Phenyl Aacetate 
ethyl-2-phenylacetate 
phenylacetic acid ethyl 
PubChem15902 
ACMC-2097xw 
EC 202-993-8 
AC1L1P3Y 
AC1Q34PF 
101-97-3 
DSSTox_CID_24353 
DSSTox_RID_80162 
DSSTox_GSID_44353 
4-09-00-01618 (Beilstein Handbook Reference) 
KSC176A0F 
SCHEMBL112999 
2-Phenylacetic acid ethyl ester 
alpha -toluic acid, ethyl ester 
CHEMBL3183476 
DTXSID6044353 
Benzeneacetic acid, ethyl ester 
CTK0H6002 
FEMA 2452 
HSDB 8382 
NSC8894 
ZINC388060 
NSC-8894 
Tox21_300810 
ANW-14562 
MFCD00009178 
NSC406259 
Phenylacetic acid ethyl ester 
SBB060333 
PHENYL ACETIC ACID ETHYL ESTER 
AKOS000120516 
CS-W016087 
LS-2747 
MCULE-6999453149 
NSC-406259 
RP17403 
RTR-000467 
TRA0046556 
Ethyl phenacetate 
Ethyl phenylacetate, analytical standard 
Ethyl phenylacetate, >=98%, FCC, FG 
Ethyl phenylacetate, natural, 98%, FG 
NCGC00248178-01 
NCGC00254714-01 
AJ-20410 
AK116248 
AN-24593 
BBV-39823951 
CAS-101-97-3 
Ethyl benzeneacetate 
CJ-03093 
L331 
ZB011257 
BB0295323 
DB-002721 
Ethyl phenylacetate, ReagentPlus(R), 99% 
ST2412950 
TL8006995 
TR-000467 
TR-000818 
Ethyl 2-phenylethanoate 
FT-0626358 
P0122 
ST50406261 
KS-00000122 
I14-3128 
Ethyl phenylacetate, Vetec(TM) reagent grade, 97.5% 
F0001-0055 
InChI=1/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H 
Ethyl cyclohexylacetate 
Acetic acid, ethyl ester 
Literature

Title: Amide synthesis from esters with nitriles under solvent-free conditions using molecular iodine as a catalyst.

Journal: Journal of oleo science 20120101

Title: High throughput screens yield small molecule inhibitors of Leishmania CRK3:CYC6 cyclin-dependent kinase.

Journal: PLoS neglected tropical diseases 20110401

Title: Analytical and sensorial characterization of the aroma of wines produced with sour rotten grapes using GC-O and GC-MS: identification of key aroma compounds.

Journal: Journal of agricultural and food chemistry 20110323

Title: Branched-chain and aromatic amino acid catabolism into aroma volatiles in Cucumis melo L. fruit.

Journal: Journal of experimental botany 20100201

Title: The Ayurvedic drug, Ksheerabala, ameliorates quinolinic acid-induced oxidative stress in rat brain.

Journal: International journal of Ayurveda research 20100101

Title: Classification of wines from five Spanish origin denominations by aromatic compound analysis.

Journal: Journal of AOAC International 20100101

Title: Chemical Investigation of Crataeva nurvala Buch. Ham. Fruits.

Journal: Indian journal of pharmaceutical sciences 20090101

Title: Characterization of the most odor-active compounds in an American Bourbon whisky by application of the aroma extract dilution analysis.

Journal: Journal of agricultural and food chemistry 20080723

Title: Methanolysis of ethyl esters of N-acetyl amino acids catalyzed by cyclosophoraoses isolated from Rhizobium meliloti.

Journal: Carbohydrate research 20080204

Title: Linking gene regulation and the exo-metabolome: a comparative transcriptomics approach to identify genes that impact on the production of volatile aroma compounds in yeast.

Journal: BMC genomics 20080101

Title: An organocatalytic oxidative coupling strategy for the direct synthesis of arylated quaternary stereogenic centers.

Journal: Organic letters 20071108

Title: Sweet-like off-flavor in Aglianico del Vulture wine: ethyl phenylacetate as the mainly involved compound.

Journal: Journal of agricultural and food chemistry 20070627

Title: Synthesis and biological evaluation of 1,3,3,4-tetrasubstituted pyrrolidine CCR5 receptor antagonists. Discovery of a potent and orally bioavailable anti-HIV agent.

Journal: ChemMedChem 20070201

Title: Phenolic constituents in the fruits of Cinnamomum zeylanicum and their antioxidant activity.

Journal: Journal of agricultural and food chemistry 20060308

Title: Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions.

Journal: The Journal of organic chemistry 20051111

Title: Influence of volatile compounds produced by yeasts predominant during processing of Coffea arabica in East Africa on growth and ochratoxin A (OTA) production by Aspergillus ochraceus.

Journal: Yeast (Chichester, England) 20051030

Title: Synthesis of ethyl phenylacetate by lyophilized mycelium of Aspergillus oryzae.

Journal: Applied microbiology and biotechnology 20050601

Title: Aerosolized essential oils and individual natural product compounds as brown treesnake repellents.

Journal: Pest management science 20020801

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