| Identification | |
| Name: | 3-Hexenal,2-ethyl-2-(2-propen-1-yl)- |
| Synonyms: | 3-Hexenal,2-ethyl-2-(2-propenyl)- (9CI);2-Allyl-2-ethyl-3-hexenal;3-hexenal, 2-ethyl-2-(2-propen-1-yl)-, (3E)-;(E)-2-allyl-2-ethylhex-3-enal; |
| CAS: | 67140-10-7 |
| EINECS: | 266-585-1 |
| Molecular Formula: | C11H18O |
| Molecular Weight: | 166.26 |
| InChI: | InChI=1/C11H18O/c1-4-7-9-11(6-3,10-12)8-5-2/h5,7,9-10H,2,4,6,8H2,1,3H3/b9-7+ |
| Molecular Structure: |  |
| Properties | |
| Density: | 0.847 g/cm3 |
| Refractive index: | 1.452 |
| Specification: |
The (E)-2-Allyl-2-ethylhex-3-enal, with the CAS registry number 67140-10-7 and EINECS registry number 266-585-1, has the systematic name of (3E)-2-ethyl-2-prop-2-en-1-ylhex-3-enal. And the molecular formula of the chemical is C11H18O. The characteristics of this chemical are as followings: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 306.66; (6)ACD/BCF (pH 7.4): 306.66; (7)ACD/KOC (pH 5.5): 2096.79; (8)ACD/KOC (pH 7.4): 2096.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 52.94 cm3; (15)Molar Volume: 196.1 cm3; (16)Polarizability: 20.98×10-24cm3; (17)Surface Tension: 27.6 dyne/cm; (18)Density: 0.847 g/cm3; (19)Flash Point: 88.3 °C; (20)Enthalpy of Vaporization: 46.35 kJ/mol; (21)Boiling Point: 226.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0797 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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