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| CAS No.: | 13419-69-7 |
|---|---|
| Name: | trans-2-Hexenoic acid |
| Article Data: | 49 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C6H10O2 |
| Molecular Weight: | 114.144 |
| Synonyms: | 2-Hexenoicacid, (E)- (8CI);(E)-2-Hexenoic acid;(2E)-Hex-2-enoic acid;(2E)-2-Hexenoic acid; |
| EINECS: | 236-528-5 |
| Density: | 0.985 g/cm3 |
| Melting Point: | 33-35 °C(lit.) |
| Boiling Point: | 216.5 °C at 760 mmHg |
| Flash Point: | 115.4 °C |
| Solubility: | Insoluble in water |
| Appearance: | white crystalline low melting solid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45-25 |
| Transport Information: | UN 2829 8/PG 3 |
| PSA: | 37.30000 |
| LogP: | 1.42730 |
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Chemistry
Molecular Structure of 2-Hexenoic acid, (2E)- (CAS NO.13419-69-7):
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IUPAC Name: (E)-hex-2-enoic acid
FEMA: 3169
BRN: 1720443
CAS: 13419-69-7
Empirical Formula: C6H10O2
Molecular Weight: 114.1424
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.455
Molar Refractivity: 31.46 cm3
Molar Volume: 115.8 cm3
Surface Tension: 34 dyne/cm
Density: 0.985 g/cm3
Flash Point: 115.4 °C
Enthalpy of Vaporization: 49.9 kJ/mol
Boiling Point: 216.5 °C at 760 mmHg
Vapour Pressure: 0.0535 mmHg at 25°C
InChI
InChI=1/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
Smiles
C(=C\CCC)\C(O)=O
Melting point: 33-35 °C(lit.)
Product Categories: C6; Carbonyl Compounds; Carboxylic Acids; Alphabetical Listings; Flavors and Fragrances; G-H
Safety Profile
Hazard Codes: 
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45-25
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.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S25:Avoid contact with eyes.
RIDADR: UN 2829 8/PG 3
WGK Germany: 3
TSCA: T
HazardClass: 8
PackingGroup: III
Specification
2-Hexenoic acid, (2E)- , with CAS number of 13419-69-7, can be called (2E)-Hex-2-enoic acid ; (2E)-2-Hexenoic acid ; (E)-2-Hexenoic acid ; (E)-hex-2-enoic acid ; (Z)-2-Hexenoic acid . It is a white crystalline low melting solid.