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2-Propenoic acid,2-methyl-, decyl ester (3179-47-3)

Identification
Name:2-Propenoic acid,2-methyl-, decyl ester
Synonyms:Methacrylicacid, decyl ester (6CI,7CI,8CI); Decyl methacrylate; NSC 20975; n-Decylmethacrylate
CAS:3179-47-3
EINECS: 221-657-1
Molecular Formula: C14H26 O2
Molecular Weight: 226.35
InChI: InChI=1/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h2,4-12H2,1,3H3
Molecular Structure: (C14H26O2) Methacrylicacid, decyl ester (6CI,7CI,8CI); Decyl methacrylate; NSC 20975; n-Decylmethacrylate
Properties
Melting Point: -44°C
Flash Point: 114.7°C
Boiling Point: 155-156°C 22mm
Density:0.876
Refractive index:1.442
Solubility:Insoluble in water
Appearance:Clear light tan liquid
Specification:

The Decyl methacrylate, with the CAS registry number 3179-47-3, is also known as Methacrylic acid, decyl ester. It belongs to the product categories of Monomer; Analytical/Chromatography; Auxiliaries for ISE; Ion Sensor Materials. Its EINECS registry number is 221-657-1. This chemical's molecular formula is C14H26O2 and molecular weight is 226.36. Its IUPAC name is called decyl 2-methylprop-2-enoate. This chemical is clear light tan liquid which is insoluble in water.

Physical properties about this chemical are: (1)ACD/LogP: 6.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.13; (4)ACD/LogD (pH 7.4): 6.13; (5)ACD/BCF (pH 5.5): 26734.12; (6)ACD/BCF (pH 7.4): 26734.12; (7)ACD/KOC (pH 5.5): 51342.71; (8)ACD/KOC (pH 7.4): 51342.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.441; (13)Molar Refractivity: 68.25 cm3; (14)Molar Volume: 258 cm3; (15)Melting Point: -44 °C; (16)Surface Tension: 29 dyne/cm; (17)Density: 0.877 g/cm3; (18)Flash Point: 114.7 °C; (19)Enthalpy of Vaporization: 52.78 kJ/mol; (20)Boiling Point: 288.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00232 mmHg at 25°C.

Preparation of Decyl methacrylate: this chemical can be prepared by 2-methyl-acrylic acid and decan-1-ol. This reaction will need reagent benzene and sulfuric acid with other condition of unter entfernen des entstehenden wassers.



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. After contact with skin, you can wash immediately with plenty of ... (to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCOC(=O)C(=C)C
(2)InChI: InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-11-12-16-14(15)13(2)3/h2,4-12H2,1,3H3
(3)InChIKey: GTBGXKPAKVYEKJ-UHFFFAOYSA-N

Flash Point: 114.7°C
Storage Temperature: 2-8°C
Safety Data
Hazard Symbols Xi: Irritant