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24817-92-3

Basic Information
CAS No.: 24817-92-3
Name: Trihexyl O-acetylcitrate
Molecular Structure:
Molecular Structure of 24817-92-3 (Trihexyl O-acetylcitrate)
Formula: C26H46O8
Molecular Weight: 486.64
Synonyms: 1,2,3-Propanetricarboxylicacid, 2-(acetyloxy)-, trihexyl ester (9CI);Citric acid, trihexyl ester,acetate (8CI);Acetyl tri-n-hexyl citrate;Citroflex A 6;Trihexyl acetylcitrate;
Density: 1.032 g/cm3
Boiling Point: 497.688 °C at 760 mmHg
Flash Point: 205.173 °C
Appearance: liquid
PSA: 105.20000
LogP: 5.43900
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    Acetyl-tri-n-hexylcitrate

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    Sartort Biopharma is a leading company engaging in the production of Intermediates, fine chemicals, Ionic liquids and 3D printing materials. It has such controlled subsidiaries as

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  • Trihexyl O-acetylcitrate

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    24817-92-3

    Trihexyl O-acetylcitrate

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    Hangzhou ZeErRui Chemical Co., Ltd. is focused on customization, research and development and production of APIs and advanced intermediates, which can effectively compensate for the deficiencies of traditional CRO and CMO. Priority of high-tech barri

    Hangzhou ZeErRui Chemical Co., Ltd. located in Lingang industrial areas, our plant covers an area of 6000 square meters.ZeErRui dedicated to the development, production and marketi

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  • 24817-92-3           C26H46O8           Trihexyl O-acetylcitrate

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    24817-92-3

    24817-92-3 C26H46O8 Trihexyl O-acetylcitrate

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    Wuhan Xinweiye Chemical Co., Ltd. is mainly engaged in the process development and production of customized synthesis and pharmaceutical intermediates. We have professional researchers in organic synthesis, analytical chemistry and production process

    Wuhan NewGreat Chemical Co., Ltd. is located in Wuhan Donghu High-tech Development Zone. Wuhan has unique geographical advantages. It is close to Zhengzhou, Changsha, Nanchang and

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  • Trihexyl O-acetylcitrate

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    24817-92-3

    Trihexyl O-acetylcitrate

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    best seller Application:API

    Wuhan Bright Chemical Co., Ltd is set up in 2008. We mainly concentrate on producing, researching and trading electroplating intermediates, Fluoro -containing chemicals,Silicone o

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  • 24817-92-3           C26H46O8           Trihexyl O-acetylcitrate

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    24817-92-3

    24817-92-3 C26H46O8 Trihexyl O-acetylcitrate

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    24817-92-3 C26H46O8 Trihexyl O-acetylcitrateAppearance:white powder Storage:Normal temperature Package:Woven bag Application:C12 to C63;Carbonyl Compounds;Esters Transportation:By express (Door to door) such as FEDEX, DHL, EMS for

    Hunan Runhui Chem Co., Ltd. is a comprehensive Fine chemicals and Pharmaceuticals Intermediates supplier in China , Established in Changsha City of Hunan province registered capit

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    Address:29 Floor,Changsheng Upper Strata,Furong District,China

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Specification

The IUPAC name of Trihexyl O-acetylcitrate is Trihexyl 2-acetyloxypropane-1,2,3-tricarboxylate. With the CAS registry number 24817-92-3, it is also named as Acetyl tri-n-hexyl citrate. The product's categories are C12 to C63; Carbonyl Compounds; Esters. Besides, it is liquid, which should be stored in closed, cool, ventilated and dry place. And the container should be placed upright to prevent leakage. In addition, its molecular formula is C26H46O8 and molecular weight is 486.64. This product is non-toxic plasticizer which is widely used in non-toxic PVC granulation, medical products, soft toys, ink painting and so on.

The other characteristics of Trihexyl O-acetylcitrate can be summarized as: (1)ACD/LogP: 10.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.11; (4)ACD/LogD (pH 7.4): 10.11; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7506768; (8)ACD/KOC (pH 7.4): 7506768; (9)H bond acceptors: 8; (10)H bond donors: 0; (11)Freely Rotating Bonds: 25; (12)Polar Surface Area: 105.2 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 129.56 cm3; (15)Molar Volume: 471.6 cm3; (16)Polarizability: 51.36×10-24cm3; (17)Surface Tension: 36.6 dyne/cm; (18)Density: 1.031 g/cm3; (19)Flash Point: 205.2 °C; (20)Enthalpy of Vaporization: 76.57 kJ/mol; (21)Boiling Point: 497.7 °C at 760 mmHg; (22)Vapour Pressure: 4.84E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OCCCCCC)CC(OC(=O)C)(C(=O)OCCCCCC)CC(=O)OCCCCCC
(2)InChI:InChI=1/C26H46O8/c1-5-8-11-14-17-31-23(28)20-26(34-22(4)27,25(30)33-19-16-13-10-7-3)21-24(29)32-18-15-12-9-6-2/h5-21H2,1-4H3
(3)InChIKey:TUUQISRYLMFKOG-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C26H46O8/c1-5-8-11-14-17-31-23(28)20-26(34-22(4)27,25(30)33-19-16-13-10-7-3)21-24(29)32-18-15-12-9-6-2/h5-21H2,1-4H3
(5)Std. InChIKey:TUUQISRYLMFKOG-UHFFFAOYSA-N