Product Name

  • Name

    Ethyl (E)-hex-2-enoate

  • EINECS 248-681-5
  • CAS No. 27829-72-7
  • Article Data44
  • CAS DataBase
  • Density 0.901 g/cm3
  • Solubility
  • Melting Point -2 °C(lit.)
  • Formula C8H14O2
  • Boiling Point 172.6 °C at 760 mmHg
  • Molecular Weight 142.198
  • Flash Point 62.3 °C
  • Transport Information UN 3265 8/PG 2
  • Appearance
  • Safety 26-27-28-36/37/39-36/39-45
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 27829-72-7 (Ethyl (E)-hex-2-enoate)
  • Hazard Symbols CorrosiveC
  • Synonyms 2-Hexenoicacid, ethyl ester, (E)- (8CI);(E)-Ethyl 2-hexenoate;Ethyl (E)-2-hexenoate;Ethyl trans-2-hexenoate;Ethyl (2E)-2-hexenoate;
  • PSA 26.30000
  • LogP 1.90580

Synthetic route

butyraldehyde
123-72-8

butyraldehyde

ethyl bromoacetate
105-36-2

ethyl bromoacetate

ethyl (E)-hex-2-enoate
27829-72-7

ethyl (E)-hex-2-enoate

Conditions
ConditionsYield
With tributylstibine at 100℃; for 2.5h; other aldehydes and ketones;92%
With tributylstibine at 100℃; for 2.5h;92%
With tributylstibine at 100℃; for 3.5h;92%
With sodium hydrogencarbonate; triphenylphosphine In water at 20℃; for 12h;
butyraldehyde
123-72-8

butyraldehyde

ethyl (triphenylphosphoranylidene)acetate
1099-45-2

ethyl (triphenylphosphoranylidene)acetate

ethyl (E)-hex-2-enoate
27829-72-7

ethyl (E)-hex-2-enoate

Conditions
ConditionsYield
In benzene at 20℃; Wittig reaction;90%
In dichloromethane at 20℃; for 47h; Wittig Olefination; Inert atmosphere;72%
In dichloromethane for 18h; Wittig olefination reaction;66%
Wittig Olefination; Inert atmosphere;
In dichloromethane for 72h; Wittig Rearrangement; Inert atmosphere;1.36 g

Ethyl (E)-hex-2-enoate Chemical Properties

Molecular Structure of 2-Hexenoic acid, ethylester, (2E)- (CAS NO.27829-72-7):

IUPAC Name: ethyl (E)-hex-2-enoate 
Empirical Formula: C8H14O2
Molecular Weight: 142.1956
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.432
Molar Refractivity: 40.94 cm3
Molar Volume: 157.6 cm3
Surface Tension: 27.8 dyne/cm
Density: 0.901 g/cm3
Flash Point: 62.3 °C
Enthalpy of Vaporization: 40.89 kJ/mol
Boiling Point: 172.6 °C at 760 mmHg
Vapour Pressure: 1.32 mmHg at 25°C
FEMA: 3675
BRN: 1701323
Melting point: -2 °C(lit.)

Ethyl (E)-hex-2-enoate Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-27-28-36/37/39-36/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27:Take off immediately all contaminated clothing. 
S28:After contact with skin, wash immediately with plenty of soap-suds. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 2
WGK Germany: 2
RTECS: MP7750000
HazardClass: 3
PackingGroup: III

Ethyl (E)-hex-2-enoate Specification

  2-Hexenoic acid, ethylester, (2E)- , with CAS number of 27829-72-7, can be called 2-Hexenoic acid, ethyl ester, (E)-;2-Hexenoicacid,ethylester,(E)- ; Ethyl (2E)-2-hexenoate ; ethylester,(e)-2-hexenoicaci ; ethylester,(E)-2-Hexenoicacid ; rarechem al bi 0150 ; (e)-ethyl 2-hexenoate .

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