Cas no 2294-71-5 (Methyl 2-phenylbutanoate)

Methyl 2-phenylbutanoate structure
Methyl 2-phenylbutanoate structure
Product Name:Methyl 2-phenylbutanoate
CAS No:2294-71-5
MF:C11H14O2
MW:178.227663516998
CID:257410
PubChem ID:102780
Update Time:2025-04-19

Methyl 2-phenylbutanoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-phenylbutanoate
    • 2-PHENYLBUTYRIC ACID METHYL ESTER
    • Benzeneacetic acid, a-ethyl-, methyl ester
    • Butyric acid, 2-phenyl-, methyl ester
    • Methyl 2-phenylbutyrate
    • Methyl α-phenylbutyrate
    • (.+/-.)-2-Phenylbutyric acid, methyl ester
    • Methyl alpha-phenylbutyrate
    • Methyl .alpha.-phenylbutyrate
    • FT-0613328
    • DTXSID70870954
    • AS-80714
    • E77576
    • NS00049896
    • SCHEMBL174166
    • methyl alpha-ethylphenylacetate
    • Benzeneacetic acid, alpha-ethyl-, methyl ester
    • phenylbutyric acid methyl ester
    • CAA29471
    • 2294-71-5
    • EINECS 218-934-4
    • Methyl 2-phenylbutanoate #
    • AKOS008906384
    • Methyl2-phenylbutanoate
    • Benzeneacetic acid, .alpha.-ethyl-, methyl ester
    • Inchi： 1S/C11H14O2/c1-3-10(11(12)13-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
    • InChI Key： PPIQQNDMGXNRFA-UHFFFAOYSA-N
    • SMILES： O(C)C(C(C1C=CC=CC=1)CC)=O

Computed Properties

  • Exact Mass: 178.09942
  • Monoisotopic Mass: 178.09938
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3
  • XLogP3: 2.6

Experimental Properties

  • Density: 1.0292 (rough estimate)
  • Melting Point: 77.5°C
  • Boiling Point: 228°C (estimate)
  • Flash Point: 93.6°C
  • Refractive Index: 1.5167 (estimate)
  • PSA: 26.3

Methyl 2-phenylbutanoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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 $376.64 2023-09-02
TRC
M405670-100mg
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 $115.00 2023-05-17
TRC
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 $517.00 2023-05-17
TRC
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 $ 800.00 2023-09-06
eNovation Chemicals LLC
Y1055127-100mg
Benzeneacetic acid, a-ethyl-, methyl ester
 2294-71-5 97%
100mg
 $185 2024-06-07
eNovation Chemicals LLC
Y1055127-250mg
Benzeneacetic acid, a-ethyl-, methyl ester
 2294-71-5 97%
250mg
 $255 2024-06-07
eNovation Chemicals LLC
Y1055127-1g
Benzeneacetic acid, a-ethyl-, methyl ester
 2294-71-5 97%
1g
 $500 2024-06-07
1PlusChem
1P002M28-5g
Benzeneacetic acid, α-ethyl-, methyl ester
 2294-71-5 98%
5g
 $1735.00 2025-02-19
Crysdot LLC
CD12093807-1g
Methyl 2-phenylbutanoate
 2294-71-5 95+%
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 $432 2024-07-24
eNovation Chemicals LLC
Y1055127-250mg
Benzeneacetic acid, a-ethyl-, methyl ester
 2294-71-5 97%
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