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2-Propenoic acid,2-methyl-, 2-hydroxypropyl ester

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2-Propenoic acid,2-methyl-, 2-hydroxypropyl ester

EINECS 213-090-3
CAS No. 923-26-2 Density 1.027 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point 40 °C
Formula C7H12O3 Boiling Point 218.8 °C at 760 mmHg
Molecular Weight 144.17 Flash Point 86.9 °C
Transport Information N/A Appearance Clear liquid
Safety 37/39-26-24/25 Risk Codes 43-36
Molecular Structure Molecular Structure of 923-26-2 (2-Hydroxypropyl methacrylate) Hazard Symbols IrritantXi
Synonyms

Methacrylicacid, 2-hydroxypropyl ester (6CI,7CI,8CI);1,2-Propanediol, 1-methacrylate(8CI);2-Hydroxypropyl methacrylate;Acryester HP;Blemmer P;Light Ester HOP;b-Hydroxypropyl methacrylate;2-hydroxypropyl 2-methylprop-2-enoate;1,2-Propanediol, monomethacrylate (8CI);2-Propenoic acid, 2-methyl-, monoester with 1,2-propanediol;2-propenoic acid, 2-methyl-, 2-hydroxypropyl ester;

Article Data 25

2-Propenoic acid,2-methyl-, 2-hydroxypropyl ester Specification

The 2-Propenoic acid,2-methyl-, 2-hydroxypropyl ester, with the CAS registry number 923-26-2 and EINECS registry number 213-090-3, has the systematic name of 2-hydroxypropyl 2-methylprop-2-enoate. It is a kind of clear liquid, and belongs to the category of Industrial/Fine Chemicals. And it should be stored in the refrigerator (+4°C). The molecular formula of the chemical is C7H12O3.

The characteristics of 2-Propenoic acid,2-methyl-, 2-hydroxypropyl ester are as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 2.58; (6)ACD/BCF (pH 7.4): 2.58; (7)ACD/KOC (pH 5.5): 68.64; (8)ACD/KOC (pH 7.4): 68.64; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 37.31 cm3; (15)Molar Volume: 140.3 cm3; (16)Polarizability: 14.79×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 1.027 g/cm3; (19)Flash Point: 86.9 °C; (20)Enthalpy of Vaporization: 52.93 kJ/mol; (21)Boiling Point: 218.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0262 mmHg at 25°C.

Preparation of 2-Propenoic acid,2-methyl-, 2-hydroxypropyl ester: This chemical can be methyloξrane and 2-methyl-acrylic acid. The reaction will need catalyst 2,2,6,6-tetramethyl-4-hydroxyπperidine-1-oxyl. The reaction time is 5 hours with temperature of 100°C, and the yield is about 92.5%. 

Uses of 2-Propenoic acid,2-methyl-, 2-hydroxypropyl ester: It can react with tert-butylperoxydimethylchlorosilane to produce tert-butylperoxy(methacryloyloxypropyleneoxy)dimethylsilane. This reaction will need reagent Et3N, and the menstruum hexane. And the yield is about 72.5%.   

You should be cautious while dealing with this chemical. It irritates to eyes, and may cause heritable genetic damage. Therefore, you had better take the following instructions: Avoid contact with skin and eyes; Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC(O)C)\C(=C)C
(2)InChI: InChI=1/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3
(3)InChIKey: VHSHLMUCYSAUQU-UHFFFAOYAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 7964mg/kg (7964mg/kg)   Toxicology Letters. Vol. 11, Pg. 125, 1982.

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