Molecular Structure of Ethyl 3-hexenoate (CAS No.2396-83-0):
Molecular Formula: C8H14O2
Molecular Weight: 142.1956
CAS No: 2396-83-0
IUPAC Name: Ethyl (E)-hex-3-enoate
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: 59.4 °C
Enthalpy of Vaporization: 40.57 kJ/mol
Boiling Point: 169.3 °C at 760 mmHg
Vapour Pressure: 1.55 mmHg at 25°C
InChI: InChI=1/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKey: VTSFIPHRNAESED-AATRIKPKBH
Std. InChI: InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+
Std. InChIKey: VTSFIPHRNAESED-AATRIKPKSA-N
Product Categories: Alphabetical Listings;E-F;Flavors and Fragrances;C8 to C9;Carbonyl Compounds;Esters
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 3272 3/PG 3
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 3
PackingGroup: III
Ethyl 3-hexenoate (CAS No.2396-83-0), its synonyms are 3-hexenoic acid, ethyl ester ; 3-Hexenoic acid, ethyl ester, (3E)- ; 3-Hexenoic acid, ethyl ester, (E)- ; Ethyl (3E)-hex-3-enoate ; Ethyl (E)-3-hexenoate ; Ethyl hex-3-enoate .
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