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2-Nonynoic acid, ethylester

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Name

2-Nonynoic acid, ethylester

EINECS 233-098-0
CAS No. 10031-92-2 Density 0.925 g/cm3
PSA 26.30000 LogP 2.52330
Solubility N/A Melting Point N/A
Formula C11H18O2 Boiling Point 262.7 °C at 760 mmHg
Molecular Weight 182.263 Flash Point 107.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10031-92-2 (ETHYL 2-NONYNOATE) Hazard Symbols IrritantXi
Synonyms

Ethyl2-nonynoate;NSC 190985;

Article Data 9

2-Nonynoic acid, ethylester Specification

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%.

2-Nonynoic acid, ethylester can be prepared by ethanol and non-2-ynoic acid

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

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