己二酸二甲酯(DMA)

15篇引用文献

COA

级别和纯度:

≥99%

CAS编号: 627-93-0
分子式: C₈H₁₄O₄
分子量: 174.19
Beilstein号: 1707443
EC号: 211-020-6
MDL号: MFCD00008469
PubChem编号: 12329
PubChem SID: 504752307

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货号 (SKU)	包装规格	是否现货
D103057-100g	100g	现货
D103057-500g	500g	现货
D103057-1kg	1kg	现货
D103057-2.5kg	2.5kg	现货

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二元酸二甲酯 (8) 增塑剂 (56) 聚合物/高分子试剂 (683)

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基本描述

别名	DBE 6 二元酯 \| 肥酸二甲酯 \| 己二酸1,6-二甲酯 \| 己二酸二甲酯
英文别名	Dimethyl 1,6-hexanedioate \| AI3-00668 \| J-660024 \| MLS001065612 \| EC 211-020-6 \| BY71RX0R62 \| hexanedioic acid dimethyl ester \| Hexanedioic acid, 1,6-dimethyl ester \| Tox21_201912 \| BBL011467 \| CHEBI:34715 \| Dimethyl adipate, 98% \| DIMETHYL ADIPATE [INCI]
规格或纯度	AR, ≥99%
英文名称	Dimethyl adipate(DMA)
运输条件	常规运输
产品介绍	能溶于醇和醚，不溶于水。低毒，半数致死量(大鼠，经口)1800mg/kg。气相色谱对比样品，增塑剂，有机合成。应用用于冷热能储存的微/纳米封装：己二酸二甲酯已封装在聚合物外壳中，用于改善热性能，使其适用于冷热能储存应用（Trivedi & Parameshwaran, 2022）。通过非血红素铁(III)催化实现可持续生产：一种使用非血红素铁(III)催化剂通过氧化裂解儿茶酚生产己二酸二甲酯的方法强调了一种环保方法（Jastrzebski et al., 2015）。用于己二腈生产的强化硝化：开发双金属氧化物催化剂，将己二酸二甲酯硝化为己二腈的过程显示出增强的活性和选择性，对于工业应用具有重要意义（Guo et al., 2023）。 Micro/nanoencapsulation for cool thermal energy storage: Dimethyl adipate has been encapsulated into a polymer shell, improving its thermal properties and making it suitable for cool thermal energy storage applications (Trivedi & Parameshwaran, 2022). Sustainable production via non-heme iron (III) catalysis: A method for producing dimethyl adipate through oxidative cleavage of catechol using non-heme iron (III) catalysts highlights an environmentally friendly approach (Jastrzebski et al., 2015). Boosted nitrilation for adiponitrile production: The development of bimetallic oxide catalysts for the nitrilation of dimethyl adipate to adiponitrile shows enhanced activity and selectivity, important for industrial applications (Guo et al., 2023).
纯度	≥99%

关联靶点（人）

NR3C1 Tclin Glucocorticoid receptor (14987 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Plasmodium falciparum (966862 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	504752307
EC号	211-020-6
分子类型	小分子
IIUPAC Name	dimethyl hexanedioate
INCHI	1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
InChi Key	UDSFAEKRVUSQDD-UHFFFAOYSA-N
Smiles	COC(=O)CCCCC(=O)OC
Isomeric SMILES	COC(=O)CCCCC(=O)OC
分子量	174.19
Beilstein号	1707443
Reaxy-Rn	1707443
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707443&ln=

化学和物理性质

溶解性	Miscible with alcohols and ether. Immiscible with water.
密度	1.062
敏感性	对湿度敏感
折光率	1.4285
闪点(℉)	107℃
闪点(℃)	107℃
沸点	215-225 °C
熔点	8°C
分子量	174.190 g/mol
XLogP3	1.000
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	4
可旋转键计数Rotatable Bond Count	7
精确质量Exact Mass	174.089 Da
单同位素质量Monoisotopic Mass	174.089 Da
拓扑极表面积Topological Polar Surface Area	52.600 Å²
重原子数Heavy Atom Count	12
形式电荷Formal Charge	0
复杂度Complexity	135.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS07
信号词	警告
WGK Germany	1
RTECS	AV1645000
Merck Index	162
个人防护装备	Eyeshields,Gloves

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批号(Lot Number)	证书类型	货号
G2525157	分析证书	D103057
G2525156	分析证书	D103057
G2525158	分析证书	D103057
G2107131	分析证书	D103057
G2107132	分析证书	D103057
C2513018	分析证书	D103057
J2514022	分析证书	D103057
C2513019	分析证书	D103057
B2506193	分析证书	D103057
B2506195	分析证书	D103057
B2506196	分析证书	D103057
B2506197	分析证书	D103057
B2525238	分析证书	D103057
J1921113	分析证书	D103057
H1517069	分析证书	D103057
K2229133	分析证书	D103057
K22291006	分析证书	D103057
A2508156	分析证书	D103057
F1826170	分析证书	D103057

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引用文献

1. M S Bogdanffy,C R Kee,C A Hinchman,B A Trela. (1991-01-01) Metabolism of dibasic esters by rat nasal mucosal carboxylesterase.. Drug metabolism and disposition: the biological fate of chemicals, 19 ((1)): (124-129). [PMID:1673384]
2. B A Trela,M S Bogdanffy. (1991-02-01) Carboxylesterase-dependent cytotoxicity of dibasic esters (DBE) in rat nasal explants.. Toxicology and applied pharmacology, 107 ((2)): (285-301). [PMID:1994511]
3. R S Nair,B R Dudek,D R Grothe,F R Johannsen,I C Lamb,M A Martens,J H Sherman,M W Stevens. (1996-11-01) Mixture risk assessment: a case study of Monsanto experiences.. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 34 ((11-12)): (1139-1145). [PMID:9119327]
4. J B Morris,R J Clay,B A Trela,M S Bogdanffy. (1991-05-01) Deposition of dibasic esters in the upper respiratory tract of the male and female Sprague-Dawley rat.. Toxicology and applied pharmacology, 108 ((3)): (538-546). [PMID:2020975]
5. S A Simpson,D J Alexander,C J Reed. (2005-02-04) Induction of heat shock protein 70 in rat olfactory epithelium by toxic chemicals: in vitro and in vivo studies.. Archives of toxicology, 79 ((4)): (224-230). [PMID:15690153]
6. Naz Chaibakhsh,Mohd Basyaruddin Abdul Rahman,Mahiran Basri,Abu Bakar Salleh,Suraini Abd-Aziz. (2010-07-16) Lipase-catalyzed dimethyl adipate synthesis: response surface modeling and kinetics.. Biotechnology journal, 5 ((8)): (848-855). [PMID:20632329]
7. B A Trela,S R Frame,M S Bogdanffy. (1992-06-01) A microscopic and ultrastructural evaluation of dibasic esters (DBE) toxicity in rat nasal explants.. Experimental and molecular pathology, 56 ((3)): (208-218). [PMID:1639180]
8. M A Medinsky,J A Bond. (2001-03-14) Sites and mechanisms for uptake of gases and vapors in the respiratory tract.. Toxicology, 160 ((1-3)): (165-172). [PMID:11246136]
9. Serrano-Arnaldos, et al.. (2020) Sustainable synthesis of branched-chain diesters.. Journal of Biotechnology, 325 (91-99). [PMID:33188808]
10. Linchuan Cong, Yupeng Wu, Nan Lin, Xinxin Li, Fangbing Liu, Fuyu Han, Jin Yang, Ciduo Wang, Haibo Lin. (2024) Boosting decarboxylation of monomethyl adipate coupling to dimethyl sebacate through Pt electrode at high current density. CHEMICAL ENGINEERING JOURNAL, 480 (148331). [10.1016/j.cej.2023.148331]
11. Yongliang Ding, Jiangjun Zhou, Lieshun Cai, Zhongkai Wang, Feng Jiang. (2023) Humidity-sensitive and fluorescent bio-based polyhydroxylamides toward sustainable adhesives. INDUSTRIAL CROPS AND PRODUCTS, 205 (117423). [10.1016/j.indcrop.2023.117423]
12. Tao Guo, Fang-You Yan, Yao-Feng Wang, Xiao-Feng Xu, Qing-Zhu Jia, Bao-Hua Xu. (2023) Boosted nitrilation of dimethyl adipate with NH3 to adiponitrile over bimetallic oxide: Synergetic effect between Nb and W. CHEMICAL ENGINEERING SCIENCE, 281 (119121). [10.1016/j.ces.2023.119121]
13. Yunxiao Dong, Yong Yang, Jinggang Wang, Qianfeng Wang, Xiaoqin Zhang, Han Hu, Jin Zhu. (2023) Synthesis and characterization of biobased poly(butylene adipate-co-furandicarboxylate) with excellent gas barrier properties. JOURNAL OF APPLIED POLYMER SCIENCE, 140 (38): (e54441). [10.1002/app.54441]
14. Xiaoqin Zhang, Jinggang Wang, Yunxiao Dong, Qianfeng Wang, Jin Zhu. (2022) Self-healing and biodegradable copolyesters synthesized from 2,5-furandicarboxylic acid applied as human skin. JOURNAL OF APPLIED POLYMER SCIENCE, 139 (29): (e52627). [10.1002/app.52627]
15. Guang-Rong Ding, Yao-Feng Wang, Guo-Yi Duan, Tao Guo, Xiao-Feng Xu, Chun-Shan Li, Bao-Hua Xu. (2022) Chemoselective nitrilation of dimethyl adipate with ammonia over carbon encapsulated WOx catalysts under continuous flow conditions. Catalysis Science & Technology, 12 (12): (3982-3991). [10.1039/D2CY00733A]
16. Chunli Zhi, Yang Tang, Jinru Wan, Xingming Liu, Honglin Chen, Xunqiu Wang. (2020) Determination and correlation of ternary isobaric vapour-liquid equilibrium data of (dimethyl succinate + dimethyl glutarate + dimethyl adipate) at 2, 5 and 8 kPa. JOURNAL OF CHEMICAL THERMODYNAMICS, 143 (106047). [10.1016/j.jct.2019.106047]
17. Zhang Zeyu, Meng Xianyang, Zhang Ke, Wu Jiangtao. (2019) Viscosity Measurements of Dialkyl Adipates in the Temperature Range of (283 to 363) K and up to 40 MPa. INTERNATIONAL JOURNAL OF THERMOPHYSICS, 40 (12): (1-18). [10.1007/s10765-019-2573-6]
18. Qian Wang, Yucui Hou, Weize Wu, Yupeng Wang, Qing Liu, Shuhang Ren. (2019) A deep insight into the structural characteristics of Yilan oil shale kerogen through selective oxidation. Carbon Resources Conversion, 2 (182). [10.1016/j.crcon.2019.09.002]
19. Xingchuan Yang, Huanxin Li, Chunmei Cao, Zongpeng Zou, Li Xu, Guoji Liu. (2019) Isobaric Vapor–Liquid Equilibrium for the Binary System of Dimethyl Adipate and 1,6-Hexanediol at 10, 20, and 99 kPa. JOURNAL OF CHEMICAL AND ENGINEERING DATA, 64 (10): (4256–4263). [10.1021/acs.jced.9b00306]
20. Xingchuan Yang, Huanxin Li, Chunmei Cao, Li Xu, Guoji Liu. (2019) Experimental and correlated liquid-liquid equilibrium data for dimethyl adipate + 1,6-hexanediol + water or ethylene glycol. JOURNAL OF MOLECULAR LIQUIDS, 284 (39). [10.1016/j.molliq.2019.03.115]
21. Honglin Chen, Lei Zhang, Yulan Huang, Jingjing Lu, Zhijian Zhao, Xunqiu Wang. (2019) Isobaric vapor–liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa. JOURNAL OF CHEMICAL THERMODYNAMICS, 133 (100). [10.1016/j.jct.2019.02.006]
22. Ze-Yong Zhao, Ji Lan, Cong Deng, Yu-Zhong Wang. (2024) An Upcycling Strategy for Polyamide 6: Preparing Thermoplastic Polyamide Elastomers from Glycolysates Produced by Controlled Degradation. GREEN CHEMISTRY, [10.1039/D4GC03815K]
23. Qianfeng Wang, Jiayi Li, Yunxiao Dong, Han Hu, Drow Lionel OYoung, Di Hu, Yufang Zhang, Dong-Qing Wei, Jinggang Wang, Jin Zhu. (2024) Biodegradable Copolyesters Derived from 2,5-Thiophenedicarboxylic Acid for High Gas Barrier Packaging Applications: Synthesis, Crystallization Properties, and Biodegradation Mechanisms. ACS Sustainable Chemistry & Engineering, 12 (32): (12086-12100). [10.1021/acssuschemeng.4c03611]
24. Qingyang Luan, Han Hu, Xingyu Ouyang, Xiaoyu Jiang, Chen Lin, Hanxu Zhu, Ting Shi, Yi-Lei Zhao, Jinggang Wang, Jin Zhu. (2024) New modifications of PBAT by a small amount of oxalic acid: Fast crystallization and enhanced degradation in all natural environments. JOURNAL OF HAZARDOUS MATERIALS, 465 (133475). [PMID:38219588] [10.1016/j.jhazmat.2024.133475]

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