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31983-42-3

Basic Information
CAS No.: 31983-42-3
Name: diheptyl maleate
Molecular Structure:
Molecular Structure of 31983-42-3 (diheptyl maleate)
Formula: C18H32O4
Molecular Weight: 312.45
Synonyms: 2-Butenedioicacid (Z)-, diheptyl ester;Maleic acid, diheptyl ester (6CI,7CI,8CI);Bis(1-heptyl) maleate;Di-n-heptyl maleate;Diheptyl maleate;
EINECS: 250-884-9
Density: 0.957 g/cm3
Boiling Point: 389.2 °C at 760 mmHg
Flash Point: 181.8 °C
PSA: 52.60000
LogP: 4.56980
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  • Diheptyl maleate

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    31983-42-3

    Diheptyl maleate

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  • 2-Butenedioic acid(2Z)-, diheptyl ester (9CI)

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    31983-42-3

    2-Butenedioic acid(2Z)-, diheptyl ester (9CI)

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • 2-Butenedioic acid(2Z)-, diheptyl ester (9CI)

  • Casno:

    31983-42-3

    2-Butenedioic acid(2Z)-, diheptyl ester (9CI)

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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Specification

The 2-Butenedioic acid(2Z)-, diheptyl ester (9CI), with the CAS registry number 31983-42-3, is also known as Diheptyl maleate. Its EINECS registry number is 250-884-9. This chemical's molecular formula is C18H32O4 and molecular weight is 312.44428. Its IUPAC name is called diheptyl (Z)-but-2-enedioate.

Physical properties of 2-Butenedioic acid(2Z)-, diheptyl ester (9CI): (1)ACD/LogP: 7.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 122264.08; (6)ACD/BCF (pH 7.4): 122264.08; (7)ACD/KOC (pH 5.5): 152428.73; (8)ACD/KOC (pH 7.4): 152428.73; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 16; (11)Index of Refraction: 1.458; (12)Molar Refractivity: 89.04 cm3; (13)Molar Volume: 326.2 cm3; (14)Surface Tension: 33.5 dyne/cm; (15)Density: 0.957 g/cm3; (16)Flash Point: 181.8 °C; (17)Enthalpy of Vaporization: 63.85 kJ/mol; (18)Boiling Point: 389.2 °C at 760 mmHg; (19)Vapour Pressure: 2.91E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCOC(=O)C=CC(=O)OCCCCCCC
(2)Isomeric SMILES: CCCCCCCOC(=O)/C=C\C(=O)OCCCCCCC
(3)InChI: InChI=1S/C18H32O4/c1-3-5-7-9-11-15-21-17(19)13-14-18(20)22-16-12-10-8-6-4-2/h13-14H,3-12,15-16H2,1-2H3/b14-13-
(4)InChIKey: KUUZQLFCCOGXKQ-YPKPFQOOSA-N