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Potassium 3-sulphonatopropyl acrylate

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Name

Potassium 3-sulphonatopropyl acrylate

EINECS 250-465-0
CAS No. 31098-20-1 Density N/A
PSA 91.88000 LogP 0.73170
Solubility Soluble in water Melting Point 302 °C (dec.)
Formula C6H9KO5S Boiling Point N/A
Molecular Weight 232.296 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36/37/39-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 31098-20-1 (Potassium 3-sulphonatopropyl acrylate) Hazard Symbols IrritantXi
Synonyms

2-Propenoicacid, 3-sulfopropyl ester, potassium salt (9CI);Acrylic acid, ester with3-hydroxy-1-propanesulfonic acid potassium salt (8CI);1-Propanesulfonic acid,3-hydroxy-, acrylate, potassium salt (8CI);3-Sulfopropyl acrylate potassiumsalt;Potassium 3-(acryloyloxy)-1-propanesulfonate;Potassium 3-sulfopropylacrylate;

 

Potassium 3-sulphonatopropyl acrylate Specification

The Potassium 3-sulphonatopropyl acrylate, with the CAS registry number 31098-20-1, is also known as Potassium 3-prop-2-enoyloxypropane-1-sulfonate. It belongs to the product categories of AcrylateOrganic Building Blocks; Acrylic Monomers; Monomers; Sulfonic/Sulfinic Acid Salts; Sulfur Compounds. Its EINECS number is 250-465-0. This chemical's molecular formula is C6H9KO5S and formula weight is 232.28. What's more, its IUPAC name is called potassium 3-prop-2-enoyloxypropane-1-sulfonate. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of Potassium 3-sulphonatopropyl acrylate: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.16; (4)ACD/LogD (pH 7.4): -4.29; (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; (13)Melting Point: 302 °C (dec.).

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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CC(=O)OCCCS(=O)(=O)[O-].[K+]
(2)InChI: InChI=1S/C6H10O5S.K/c1-2-6(7)11-4-3-5-12(8,9)10;/h2H,1,3-5H2,(H,8,9,10);/q;+1/p-1
(3)InChIKey: VSFOXJWBPGONDR-UHFFFAOYSA-M

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