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

Name
3-NONEN-2-ONE
EINECS 238-248-9
CAS No. 18402-83-0
Article Data28
CAS DataBase
Density 0.835 g/cm³
Solubility
Melting Point
Formula C₉H₁₆O
Boiling Point 201.9 °C at 760 mmHg
Molecular Weight 140.225
Flash Point 81.3 °C
Transport Information
Appearance COLORLESS TO YELLOW LIQUID
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Nonen-2-One;
PSA 17.07000
LogP 2.71190

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

The 3-Nonen-2-one, (3E)-, with the CAS registry number of 18402-83-0, is also known as 3-Nonen-2-One. It belongs to the product categories of API intermediates; C9; Carbonyl Compounds; Ketones. Its EINECS registry number is 238-248-9. This chemical's molecular formula is C₉H₁₆O and molecular weight is 140.22. What's more, its IUPAC name is (E)-Non-3-en-2-one. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 3-Nonen-2-one, (3E)- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 64.99; (6)ACD/BCF (pH 7.4): 64.99; (7)ACD/KOC (pH 5.5): 690.67; (8)ACD/KOC (pH 7.4): 690.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 43.83 cm³; (15)Molar Volume: 167.8 cm³; (16)Surface Tension: 26.9 dyne/cm; (17)Density: 0.835 g/cm³; (18)Flash Point: 81.3 °C; (19)Enthalpy of Vaporization: 43.81 kJ/mol; (20)Boiling Point: 201.9 °C at 760 mmHg; (21)Vapour Pressure: 0.301 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(/C=C/CCCCC)C
(2) InChI: InChI=1/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+
(3) InChIKey: HDKLIZDXVUCLHQ-BQYQJAHWBQ

Product Name

3-NONEN-2-ONE

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

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