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CAS No.: | 10031-92-2 |
---|---|
Name: | ETHYL 2-NONYNOATE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C11H18O2 |
Molecular Weight: | 182.263 |
Synonyms: | Ethyl2-nonynoate;NSC 190985; |
EINECS: | 233-098-0 |
Density: | 0.925 g/cm3 |
Boiling Point: | 262.7 °C at 760 mmHg |
Flash Point: | 107.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 26.30000 |
LogP: | 2.52330 |
The 2-Nonynoic acid, ethylester, with the CAS registry number 10031-92-2, is also known as Ethyl 2-nonynoate. It belongs to the product categories of Acetylenes; Acetylenic Carboxylic Acids & Their Derivatives; Alphabetical Listings; E-F; Flavors and Fragrances. Its EINECS registry number is 233-098-0. This chemical's molecular formula is C11H18O2 and molecular weight is 182.25942. Its IUPAC name is called ethyl non-2-ynoate.
Physical properties of 2-Nonynoic acid, ethylester: (1)ACD/LogP: 4.62; (2)ACD/LogD (pH 5.5): 4.62; (3)ACD/LogD (pH 7.4): 4.62; (4)ACD/BCF (pH 5.5): 1921.99; (5)ACD/BCF (pH 7.4): 1921.99; (6)ACD/KOC (pH 5.5): 7800.21; (7)ACD/KOC (pH 7.4): 7800.21; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.448; (11)Molar Refractivity: 52.79 cm3; (12)Molar Volume: 196.8 cm3; (13)Surface Tension: 33.2 dyne/cm; (14)Density: 0.925 g/cm3; (15)Flash Point: 107.8 °C; (16)Enthalpy of Vaporization: 50.05 kJ/mol; (17)Boiling Point: 262.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0107 mmHg at 25°C.
Preparation of 2-Nonynoic acid, ethylester: this chemical can be prepared by ethanol and non-2-ynoic acid. This reaction will need reagent H2SO4 (conc). The reaction time is 14 hours at ambient temperature. The yield is about 85%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC#CC(=O)OCC
(2)InChI: InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3
(3)InChIKey: BFZNMUGAZYAMTG-UHFFFAOYSA-N