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CAS No.: | 7423-42-9 |
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Name: | MALEIC ACID MONO(2-ETHYLHEXYL) ESTER |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H20O4 |
Molecular Weight: | 228.288 |
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; |
EINECS: | 231-048-2 |
Density: | 1.043 g/cm3 |
Boiling Point: | 342 °C at 760 mmHg |
Flash Point: | 122.9 °C |
Solubility: | 73.3mg/L at 25℃ |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 63.60000 |
LogP: | 2.38680 |
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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