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140-04-5

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Basic Information
CAS No.: 140-04-5
Name: BUTYL ACETYL RICINOLEATE
Molecular Structure:
Molecular Structure of 140-04-5 (BUTYL ACETYL RICINOLEATE)
Formula: C24H44O4
Molecular Weight: 396.611
Synonyms: 9-Octadecenoicacid, 12-(acetyloxy)-, butyl ester, [R-(Z)]-;Ricinoleic acid, butyl ester,acetate (6CI,7CI,8CI);Bakers P 6;Baryl;Butyl acetyl ricinoleate;Flexricin P6;
EINECS: 205-393-4
Density: 0.931 g/cm3
Boiling Point: 468.7 °C at 760 mmHg
Flash Point: 219.4 °C
Solubility: 72.19ng/L at 25℃
Appearance: Liquid
PSA: 52.60000
LogP: 6.90880
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Specification

The 9-Octadecenoic acid, 12-(acetyloxy)-, butyl ester, (9Z, 12R)-, with the CAS registry number 140-04-5, is also known as Butyl acetyl ricinoleate. And its EINECS registry number is 205-393-4. This chemical's molecular formula is C24H44O4 and molecular weight is 396.6038. What's more, its systematic name is Butyl (9Z, 12R)-12-(acetyloxy)octadec-9-enoate.

Physical properties about 9-Octadecenoic acid, 12-(acetyloxy)-, butyl ester, (9Z, 12R)- are: (1)ACD/LogP: 8.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.56; (4)ACD/LogD (pH 7.4): 8.56; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1081322.13; (8)ACD/KOC (pH 7.4): 1081322.13; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 116.8 cm3; (15)Molar Volume: 425.6 cm3; (16)Polarizability: 46.3×10-24 cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 0.931 g/cm3; (19)Flash Point: 219.4 °C; (20)Enthalpy of Vaporization: 73.09 kJ/mol; (21)Boiling Point: 468.7 °C at 760 mmHg; (22)Vapour Pressure: 5.86E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O[C@H](CCCCCC)C/C=C\CCCCCCCC(=O)OCCCC)C
(2) InChI: InChI=1/C24H44O4/c1-4-6-8-15-18-23(28-22(3)25)19-16-13-11-9-10-12-14-17-20-24(26)27-21-7-5-2/h13,16,23H,4-12,14-15,17-21H2,1-3H3/b16-13-/t23-/m1/s1
(3) InChIKey: BEWFIPLBFJGWSR-AONZOJHOBW