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66872-75-1

Basic Information
CAS No.: 66872-75-1
Name: Calcium 3-methyl-2-oxovalerate
Molecular Structure:
Molecular Structure of 66872-75-1 (Calcium 3-methyl-2-oxovalerate)
Formula: C12H18CaO6
Molecular Weight: 298.35
Synonyms: Pentanoicacid, 3-methyl-2-oxo-, calcium salt (9CI);Pentanoic acid, 3-methyl-2-oxo-,calcium salt, (?à)-;
EINECS: 266-505-5
Boiling Point: 190.5 °C at 760 mmHg
Flash Point: 83.3 °C
PSA: 114.40000
LogP: -1.29700
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     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-579-82660891

    Address:47-204 No.288, Shida St., Wuchem Dist., Jinhua,Zhejiang, 321004 China

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  • Calcium 3-methyl-2-oxovalerate

  • Casno:

    66872-75-1

    Calcium 3-methyl-2-oxovalerate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Hangzhou Dingyan Chem is a leading manufacturer and supplier of chemicals in China.We develop,produce and distribute high quality pharmaceuticals, intermediates, special chemicals and other fine chemicals. We could give you: 1.Best quality in your re

    Hangzhou Dingyan Chem Co., LTD. is located in the beautiful tourist city of hangzhou, is a comprehensive chemical enterprice which doing import and export business by its own comp

  •  Hangzhou Dingyan Chem Co., Ltd

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    Business Type:Lab/Research institutions

    Tel:86-571-86465881,86-571-87157530,86-571-88025800

    Address:RM.1118,NO.1 Building, Baiyun Tower,Jianggan Area, Hangzhou city, China,310004

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  • CalciuM 3-Methyl-2-oxovalerate Hydrate

  • Casno:

    66872-75-1

    CalciuM 3-Methyl-2-oxovalerate Hydrate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    high quality Storage:Sealed, dry, microtherm , avoid light and smell. Package:According to the demand of customer Application:Organic synthesis Transportation:by air or by sea

    Located in Zhengdong New District,?Zhengzhou of Henan province, Henan Allgreen Chemical Co.,Ltd is a comprehensive high-tech modern enterprises integrating professional R&D, pro

  •  Henan Allgreen Chemical Co.,Ltd

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    Business Type:Manufacturers

    Tel:+86-0371-87507775

    Address:No 260 Dongming Road,Jinshui District

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  • D,L-A-Ketoisoleucine Calcium

  • Casno:

    66872-75-1

    D,L-A-Ketoisoleucine Calcium

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Our clients, like BASF,CHEMO,Brenntag,ASR,Evonik,Merck and etc.Appearance:COA Storage:in stock Application:MSDS/TDS

    Xiamen Aeco Chemical Industrial Co., Ltd(same as Aecochem Corp.) An ISO 9001:2015 Certified Company Your Partner in China, a Professional chemical raw material supplier, our

  •  Aecochem Corp.

     China (Mainland)  |  Contact Details

    Business Type:Manufacturers

    Tel:+86-592 599 8717

    Address:No 611 Sishui Road,Huli

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Specification

The Pentanoic acid,3-methyl-2-oxo-, calcium salt (2:1), with CAS registry number 66872-75-1, has the systematic name of calcium bis(3-methyl-2-oxopentanoate). Besides this, it is also called pentanoic acid, 3-methyl-2-oxo-, calcium salt (2:1). And the chemical formula of this chemical is C12H18CaO6.

Physical properties of Pentanoic acid,3-methyl-2-oxo-, calcium salt (2:1): (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.63; (4)ACD/LogD (pH 7.4): -3.54; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.37 Å2; (13)Enthalpy of Vaporization: 47.04 kJ/mol; (14)Vapour Pressure: 0.239 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)C(=O)C(C)CC.[O-]C(=O)C(=O)C(C)CC
(2)InChI: InChI=1/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
(3)InChIKey: PTFSVYLXDCGPFY-NUQVWONBAW
(4)Std. InChI: InChI=1S/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
(5)Std. InChIKey: PTFSVYLXDCGPFY-UHFFFAOYSA-L