2-Hydroxyethyl hydrogen phthalate supplier

Name
2-hydroxyethyl hydrogen phthalate
EINECS 241-676-9
CAS No. 17689-42-8
Article Data8
CAS DataBase
Density 1.365 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀O₅
Boiling Point 428.3 °C at 760 mmHg
Molecular Weight 210.186
Flash Point 173.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Benzenedicarboxylicacid, mono(2-hydroxyethyl) ester (9CI);Phthalic acid, 2-hydroxyethyl ester(6CI);Ethylene glycol,mono(hydrogen phthalate) (8CI);Phthalic acid mono-(2-hydroxy-ethyl) ester;Mono(2-hydroxyethyl) phthalate;2-[(2-Hydroxyethoxy)carbonyl]benzoic acid;
PSA 83.83000
LogP 0.53390

2-Hydroxyethyl hydrogen phthalate Specification

The 1,2-Benzenedicarboxylicacid, 1-(2-hydroxyethyl) ester, with the CAS registry number 17689-42-8, is also known as Phthalic acid mono-(2-hydroxy-ethyl) ester. Its EINECS number is 241-676-9. This chemical's molecular formula is C₁₀H₁₀O₅ and molecular weight is 210.18. What's more, its systematic name is 2-[(2-hydroxyethoxy)carbonyl]benzoic acid.

Physical properties of 1,2-Benzenedicarboxylicacid, 1-(2-hydroxyethyl) ester are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.07; (4)ACD/LogD (pH 7.4): -3.05; (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: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 51.12 cm³; (15)Molar Volume: 153.8 cm³; (16)Polarizability: 20.26×10^-24cm³; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.365 g/cm³; (19)Flash Point: 173.8 °C; (20)Enthalpy of Vaporization: 72.04 kJ/mol; (21)Boiling Point: 428.3 °C at 760 mmHg; (22)Vapour Pressure: 4.26E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCO)c1ccccc1C(=O)O
(2)Std. InChI: InChI=1S/C10H10O5/c11-5-6-15-10(14)8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
(3)Std. InChIKey: NTINFTOOVNKGIU-UHFFFAOYSA-N

Product Name

2-hydroxyethyl hydrogen phthalate

2-Hydroxyethyl hydrogen phthalate Specification

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