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16969-10-1

Basic Information
CAS No.: 16969-10-1
Name: 2-HYDROXY-3-PHENOXYPROPYL ACRYLATE
Article Data: 4
Molecular Structure:
Molecular Structure of 16969-10-1 (2-HYDROXY-3-PHENOXYPROPYL ACRYLATE)
Formula: C12H14O4
Molecular Weight: 222.241
Synonyms: 2-Hydroxy-3-phenoxypropylacrylate;3-(Acryloyloxy)-2-hydroxypropyl phenyl ether;3-Phenoxy-2-hydroxypropyl acrylate;Aronix M 5700;Aronix M 5710;CN 131B;DA141;Doublemer DM 120;Epoxy Ester M 600A;Kayarad R 128;Kayarad R 128H;Laromer 8830;Light Acrylate M 600A;M 5700;M 600A;NK Ester 702A;Phenylglycidyl ether acrylate;R 128;R 128H;
EINECS: 241-045-8
Density: 1.154g/cm3
Boiling Point: 325.4 °C at 760 mmHg
Flash Point: 146.1 °C
Solubility: 5.3g/L at 20℃
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26
PSA: 55.76000
LogP: 1.15550
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    2-HYDROXY-3-PHENOXYPROPYL ACRYLATE

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Specification

The 2-Propenoic acid,2-hydroxy-3-phenoxypropyl ester, with CAS registry number 16969-10-1, belongs to the following product categories: (1)Acrylate Carbonyl Compounds; (2)Acrylic Monomers; (3)C12 to C63; (4)Esters; (5)Monomers. It has the systematic name of 2-hydroxy-3-phenoxypropyl prop-2-enoate. And the chemical formula of this chemical is C12H14O4.

Physical properties of 2-Propenoic acid,2-hydroxy-3-phenoxypropyl ester: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.76; (6)ACD/BCF (pH 7.4): 18.76; (7)ACD/KOC (pH 5.5): 283.78; (8)ACD/KOC (pH 7.4): 283.77; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 59.08 cm3; (15)Molar Volume: 192.4 cm3; (16)Polarizability: 23.42×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 146.1 °C; (20)Enthalpy of Vaporization: 66.36 kJ/mol; (21)Boiling Point: 380.9 °C at 760 mmHg; (22)Vapour Pressure: 1.76E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Propenoic acid,2-hydroxy-3-phenoxypropyl ester irritates to eyes, respiratory system and skin. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(O)COc1ccccc1)\C=C
(2)InChI: InChI=1/C12H14O4/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10,13H,1,8-9H2
(3)InChIKey: HHQAGBQXOWLTLL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H14O4/c1-2-12(14)16-9-10(13)8-15-11-6-4-3-5-7-11/h2-7,10,13H,1,8-9H2
(5)Std. InChIKey: HHQAGBQXOWLTLL-UHFFFAOYSA-N