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85508-07-2

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Basic Information
CAS No.: 85508-07-2
Name: Ethyl methyl pent-2-ene-1,5-dioate
Molecular Structure:
Molecular Structure of 85508-07-2 (Ethyl methyl pent-2-ene-1,5-dioate)
Formula: C8H12O4
Molecular Weight: 172.17848
Synonyms: Ethyl methyl pent-2-enedioate;
EINECS: 287-430-4
Density: 1.068 g/cm3
Boiling Point: 213.4 °C at 760 mmHg
Flash Point: 97.4 °C
PSA: 52.60000
LogP: 0.66880
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  • Ethyl methyl pent-2-ene-1,5-dioate

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    Ethyl methyl pent-2-ene-1,5-dioate

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The CAS registry number of Ethyl methyl pent-2-ene-1,5-dioate is 85508-07-2 and  its EINECS registry number is 287-430-4. This chemical's molecular formula is C8H12O4 and molecular weight is 172.17848. What's more, its systematic name is called Ethyl methyl pent-2-enedioate.

Physical properties about Ethyl methyl pent-2-ene-1,5-dioate are: (1) ACD/LogP: 1.55; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.55; (4) ACD/LogD (pH 7.4): 1.55; (5) #H bond acceptors: 4; (6) #H bond donors: 0; (7) #Freely Rotating Bonds: 6; (8) Polar Surface Area: 52.6 Å2; (9) Index of Refraction: 1.442; (10) Molar Refractivity: 42.71 cm3; (11) Molar Volume: 161.1 cm3; (12) Surface Tension: 33.2 dyne/cm; (13) Density: 1.068 g/cm3; (14)Flash Point: 97.4 °C; (15) Enthalpy of Vaporization: 44.97 kJ/mol; (16) Boiling Point: 213.4 °C at 760 mmHg; (17) Vapour Pressure: 0.164 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C=CCC(=O)OC
(2) InChI: InChI=1/C8H12O4/c1-3-12-8(10)6-4-5-7(9)11-2/h4,6H,3,5H2,1-2H3
(3) InChIKey: UMHKSLGKWWMVKB-UHFFFAOYAV