Name: 3-SULFOPROPYL METHACRYLATE, POTASSIUM SALT
SKU: 31098-21-2

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Basic Information

Molecular Structure:
CAS No.:	31098-21-2
Name:	3-SULFOPROPYL METHACRYLATE, POTASSIUM SALT

Formula:	C₇H₁₂O₅S.K
Molecular Weight:	247.32
Synonyms:	2-Propenoicacid, 2-methyl-, 3-sulfopropyl ester, potassium salt (9CI);Methacrylic acid,ester with 3-hydroxy-1-propanesulfonic acid potassium salt (8CI);1-Propanesulfonic acid, 3-hydroxy-, methacrylate, potassium salt (8CI);Potassium 3-(methacryloyloxy)propanesulfonate;Potassium 3-sulfopropyl methacrylate;
EINECS:	250-466-6
Density:	1.436[at 20℃]
Melting Point:	>300 °C
Solubility:	almost transparency
Appearance:	solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	91.88000
LogP:	1.12180

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Specification

The CAS registry number of 2-Propenoic acid,2-methyl-, 3-sulfopropyl ester, potassium salt (1:1) is 31098-21-2. Its EINECS registry number is 250-466-6. The systematic name is potassium 3-[(2-methylacryloyl)oxy]propane-1-sulfonate. In addition, the molecular formula is C₇H₁₂O₅S.K and the molecular weight is 247.32. What's more, it belongs to the classes of Industrial/Fine Chemicals; MethacrylateOrganic Building Blocks; Acrylic Monomers; Monomers; Sulfonic/Sulfinic Acid Salts; Sulfur Compounds. And it should be stored in a cool and dry place.

Physical properties about 2-Propenoic acid,2-methyl-, 3-sulfopropyl ester, potassium salt (1:1) are: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.61; (4)ACD/LogD (pH 7.4): -3.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 89.05 Å².

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: [K+].O=C(OCCCS(=O)(=O)[O-])\C(=C)C
(2)InChI: InChI=1/C7H12O5S.K/c1-6(2)7(8)12-4-3-5-13(9,10)11;/h1,3-5H2,2H3,(H,9,10,11);/q;+1/p-1
(3)InChIKey: PNOXUQIZPBURMT-REWHXWOFAL