1,3-Pentanediol,3-ethyl-, 1-methanesulfonate supplier

Name
3-ETHYL-3-HYDROXYPENTYL METHANESULFONATE
EINECS
CAS No. 428871-08-3
Density 1.133 g/cm³
Solubility
Melting Point
Formula C₈H₁₈O₄S
Boiling Point 358.837 °C at 760 mmHg
Molecular Weight 210.295
Flash Point 170.819 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Ethyl-3-hydroxypentylmethansulfonat;
PSA 71.98000
LogP 1.98460

1,3-Pentanediol,3-ethyl-, 1-methanesulfonate Specification

The 1,3-Pentanediol,3-ethyl-, 1-methanesulfonate, with the CAS registry number 428871-08-3, is also known as 3-Ethyl-3-hydroxypentylmethansulfonat. This chemical's molecular formula is C₈H₁₈O₄S and molecular weight is 210.2911. What's more, both its IUPAC name and systematic name are the same which is (3-Ethyl-3-hydroxypentyl) methanesulfonate.

Physical properties about 1,3-Pentanediol,3-ethyl-, 1-methanesulfonate are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 64; (8)ACD/KOC (pH 7.4): 64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 71.98 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 51.184 cm³; (15)Molar Volume: 185.539 cm³; (16)Polarizability: 20.291×10^-24 cm³; (17)Surface Tension: 39.49 dyne/cm; (18)Density: 1.133 g/cm³; (19)Flash Point: 170.819 °C; (20)Enthalpy of Vaporization: 69.962 kJ/mol; (21)Boiling Point: 358.837 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CS(=O)(=O)OCCC(O)(CC)CC
(2) InChI: InChI=1/C8H18O4S/c1-4-8(9,5-2)6-7-12-13(3,10)11/h9H,4-7H2,1-3H3
(3) InChIKey: UTRJRIIRRBWEMQ-UHFFFAOYAC

Product Name

3-ETHYL-3-HYDROXYPENTYL METHANESULFONATE

1,3-Pentanediol,3-ethyl-, 1-methanesulfonate Specification

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