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Home > Encyclopedia > Ethyl (2E)-4-oxo-4-phenyl-2-butenoate

Ethyl (2E)-4-oxo-4-phenyl-2-butenoate

Ethyl (2E)-4-oxo-4-phenyl-2-butenoate structure

Ethyl (2E)-4-oxo-4-phenyl-2-butenoate 

structure
  • CAS No:

    15121-89-8

  • Formula:

    C12H12O3

  • Chemical Name:

    Ethyl (2E)-4-oxo-4-phenyl-2-butenoate

  • Synonyms:

    2-Butenoic acid,4-oxo-4-phenyl-,ethyl ester,(2E)-;Acrylic acid,3-benzoyl-,ethyl ester,(E)-;2-Butenoic acid,4-oxo-4-phenyl-,ethyl ester,(E)-;Ethyl (2E)-4-oxo-4-phenyl-2-butenoate;Ethyl β-benzoylacrylate;Ethyl trans-β-benzoylacrylate;Ethyl trans-benzoylacrylate;(2E)-4-Oxo-4-phenyl-2-butenoic acid ethyl ester;(E)-Ethyl 4-oxo-4-phenyl-2-butenoate;Ethyl trans-3-benzoylacrylate;(2E)-4-Oxo-4-phenyl-2-butenoic acid ethyl ester;Ethyl (E)-4-oxo-4-phenylbut-2-enoate

Ethyl (2E)-4-oxo-4-phenyl-2-butenoate Basic Attributes

204.22200

204.22

408-040-4|438-510-4|604-780-9

2918300090

Characteristics

43.37000

1.98860

1.1080 g/cm3 @ Temp: 25 °C

131-132 °C @ Press: 1.5 Torr

113ºC

1.543

0.000839mmHg at 25°C

Safety Information

R36/37/38

S26; S36/37/39; S60; S61; S37/39

Xn; N

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P362, P363, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 34 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 31 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:204.22
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:204.078644241
Monoisotopic Mass:204.078644241
Topological Polar Surface Area:43.4
Heavy Atom Count:15
Complexity:250
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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