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CAS No.: | 1119-72-8 |
---|---|
Name: | CIS CIS-MUCONIC ACID |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C6H6O4 |
Molecular Weight: | 142.111 |
Synonyms: | 2,4-Hexadienedioicacid, (Z,Z)- (8CI);(Z,Z)-Muconic acid;cis,cis-Muconic acid; |
EINECS: | 208-017-7 |
Density: | 1.365 g/cm3 |
Melting Point: | 194-195 °C(lit.) |
Boiling Point: | 345.4 °C at 760 mmHg |
Flash Point: | 176.9 °C |
Solubility: | freely soluble in boiling water, sparingly soluble in diethyl ether |
Appearance: | yellow-beige crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26 |
PSA: | 74.60000 |
LogP: | 0.26800 |
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The 2,4-Hexadienedioicacid, (2Z,4Z)-, with the CAS registry number 1119-72-8, is also known as cis,cis-Muconic acid. This chemical's molecular formula is C6H6O4 and molecular weight is 142.11. What's more, its systematic name is (2Z,4Z)-hexa-2,4-dienedioic acid. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. It should be protected from air.
Physical properties of 2,4-Hexadienedioicacid, (2Z,4Z)- are: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.43; (4)ACD/LogD (pH 7.4): -4.91; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 33.09 cm3; (15)Molar Volume: 104 cm3; (16)Polarizability: 13.11×10-24cm3; (17)Surface Tension: 59.3 dyne/cm; (18)Density: 1.365 g/cm3; (19)Flash Point: 176.9 °C; (20)Enthalpy of Vaporization: 64.77 kJ/mol; (21)Boiling Point: 345.4 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. 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.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C/C=C\C(=O)O
(2)InChI: InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
(3)InChIKey: TXXHDPDFNKHHGW-CCAGOZQPSA-N