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2-Butenedioic acid(2Z)-, 1-(2-ethylhexyl) ester

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Name

2-Butenedioic acid(2Z)-, 1-(2-ethylhexyl) ester

EINECS 231-048-2
CAS No. 7423-42-9 Density 1.043 g/cm3
PSA 63.60000 LogP 2.38680
Solubility 73.3mg/L at 25℃ Melting Point N/A
Formula C12H20O4 Boiling Point 342 °C at 760 mmHg
Molecular Weight 228.288 Flash Point 122.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7423-42-9 (MALEIC ACID MONO(2-ETHYLHEXYL) ESTER) Hazard Symbols N/A
Synonyms

2-Butenedioicacid (2Z)-, mono(2-ethylhexyl) ester (9CI);2-Butenedioic acid (Z)-,mono(2-ethylhexyl) ester;Maleic acid, 2-ethylhexyl ester (7CI,8CI);2-Ethylhexyl hydrogen maleate;2-Ethylhexyl maleate;Mono(2-ethylhexyl)maleate;Monooctyl maleate;

Article Data 2

2-Butenedioic acid(2Z)-, 1-(2-ethylhexyl) ester Specification

The 2-Butenedioic acid(2Z)-, 1-(2-ethylhexyl) ester, with the CAS registry number 7423-42-9, is also known as 2-Butenedioic acid (Z)-, mono(2-ethylhexyl) ester. It belongs to the product category of Monomer. Its EINECS registry number is 231-048-2. This chemical's molecular formula is C12H20O4 and molecular weight is 228.2848. Its IUPAC name is called (Z)-4-(2-ethylhexoxy)-4-oxobut-2-enoic acid.

Physical properties of 2-Butenedioic acid(2Z)-, 1-(2-ethylhexyl) ester: (1)ACD/LogP: 3.29; (2)ACD/LogD (pH 5.5): 1.13; (3)ACD/LogD (pH 7.4): -0.29; (4)ACD/BCF (pH 5.5): 1.29; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.16; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.469; (12)Molar Refractivity: 60.99 cm3; (13)Molar Volume: 218.7 cm3; (14)Surface Tension: 37.3 dyne/cm; (15)Density: 1.043 g/cm3; (16)Flash Point: 122.9 °C; (17)Enthalpy of Vaporization: 64.37 kJ/mol; (18)Boiling Point: 342 °C at 760 mmHg; (19)Vapour Pressure: 1.4E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
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: CCCCC(CC)COC(=O)C=CC(=O)O
(2)Isomeric SMILES: CCCCC(CC)COC(=O)/C=C\C(=O)O
(3)InChI: InChI=1S/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7-
(4)InChIKey: IQBLWPLYPNOTJC-FPLPWBNLSA-N

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