3-Octen-2-one, (3E)- supplier

Name
3-OCTEN-2-ONE
EINECS 216-793-3
CAS No. 18402-82-9
Article Data4
CAS DataBase
Density 0.833 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O
Boiling Point 180.4 °C at 760 mmHg
Molecular Weight 126.199
Flash Point 67.1 °C
Transport Information UN 1224
Appearance
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols R10:;
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;
PSA 17.07000
LogP 2.32180

3-Octen-2-one, (3E)- Specification

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

Product Name

3-OCTEN-2-ONE

3-Octen-2-one, (3E)- Specification

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