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CAS No.: | 18402-82-9 |
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Name: | 3-OCTEN-2-ONE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H14O |
Molecular Weight: | 126.199 |
Synonyms: | 3-Octen-2-one,(E)- (8CI);(3E)-3-Octen-2-one;(E)-3-Octen-2-one;E-3-Octen-2-one;E-Oct-3-ene-2-one;trans-3-Octen-2-one; |
EINECS: | 216-793-3 |
Density: | 0.833 g/cm3 |
Boiling Point: | 180.4 °C at 760 mmHg |
Flash Point: | 67.1 °C |
Hazard Symbols: | R10:; |
Risk Codes: | 10 |
Safety: | 16 |
Transport Information: | UN 1224 |
PSA: | 17.07000 |
LogP: | 2.32180 |
The 3-Octen-2-one, (3E)-, with the CAS registry number of 18402-82-9, is also known as (3E)-3-Octen-2-one. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances; O-P. Its EINECS registry number is 216-793-3. This chemical's molecular formula is C8H14O and molecular weight is 126.2. What's more, its systematic name is called (3E)-Oct-3-en-2-one. Besides, this chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.
Physical properties about 3-Octen-2-one, (3E)- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.431; (8)Molar Refractivity: 39.19 cm3; (9)Molar Volume: 151.3 cm3; (10)Surface Tension: 26.3 dyne/cm; (11)Density: 0.833 g/cm3; (12)Flash Point: 67.1 °C; (13)Enthalpy of Vaporization: 41.67 kJ/mol; (14)Boiling Point: 180.4 °C at 760 mmHg; (15)Vapour Pressure: 0.897 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(/C=C/CCCC)C
(2) InChI: InChI=1/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
(3) InChIKey: ZCFOBLITZWHNNC-VOTSOKGWBP