计算溶液所需的质量、体积或浓度。
| 活性类型 | Relation | Activity value | Units | Action Type | 期刊 | PubMed Id | doi | Assay Aladdin ID |
|---|
为什么选择此级别
提供 ≥99% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
室温。常规运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 54 篇同行评审文献引用。
概述
能与乙醇、乙醚、丙酮、苯混溶，溶于甲醇、氯仿和四氯化碳，不溶于水。气相色谱分析标准。有机合成。
Methyl dodecanoate is a flavor ketone produced in a reaction biocatalyzed by microencapsulated fungal spores. Also used in production of biodiesel. Methyl dodecanoate has been used in selective synthesis of the secondary amide surfactant, N-methyl lauroylethanolamide.
Methyl laurate has been used in selective synthesis of the secondary amide surfactant, N-methyl lauroylethanolamide.
规格
别名
十二酸甲酯 | 十二烷酸甲酯
英文别名
Methyl dodecylate | METHYL DODECANOATE [HSDB] | METHYL LAURATE [II] | A802417 | Metholene 2296 | dodecanoic acid-methyl ester | Stepan C40 | EC 203-911-3 | DTXCID206889 | HY-W004286 | NSC 5027 | Uniphat A40 IN 511 | FEMA number 2715 | Lauric acid methyl e
规格或纯度
≥99%
英文名称
Methyl laurate
应用
气相色谱分析标准。有机合成。
储存条件
室温
运输条件
常规运输
纯度
≥99%
名称和识别符
PubChem SID
EC号
203-911-3
分子类型
小分子
IUPAC Name
methyl dodecanoate
INCHI
1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
InChi Key
UQDUPQYQJKYHQI-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCC(=O)OC
Isomeric SMILES
CCCCCCCCCCCC(=O)OC
分子量
214.34
Beilstein号
1767780
Reaxy-Rn
1767780
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767780&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 脂质和脂质样分子 |
| 类（Class) | 脂肪酰基 |
| 亚类（Subclass） | 脂肪酸酯 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 脂肪酸甲酯 |
| 其他上位类（Alternative Parents） | 甲酯 一元羧酸及其衍生物 有机氧化物 碳氢化合物衍生物 羰基化合物 |
| 分子骨架（Molecular Framework) | 脂肪族无环化合物 |
| 取代基（Substituents） | 脂肪族非环化合物 - 羰基 - 羧酸衍生物 - 羧酸酰胺 - 脂肪酸甲酯 - 烃衍生物 - 甲酯 - 单羧酸或其衍生物 - 有机氧化物 - 有机氧化合物 - 有机氧化合物 |
| 描述（Description） | 该化合物属于有机化合物中的脂肪酸甲酯类。这类化合物含有与甲基发生酯化的脂肪酸，其通式为RC(=O)OR'，其中R代表脂肪族烷基或有机酰基，R'代表甲基。 |
| 外部描述符（External Descriptors） | Wax monoesters |
三维结构
交互式化学结构模型
关联靶点（人）
ESR1
Tclin
Estrogen receptor alpha
(17718 活性数据)
NR3C1
Tclin
Glucocorticoid receptor
(14987 活性数据)
AR
Tclin
Androgen Receptor
(11781 活性数据)
VDR
Tclin
Vitamin D receptor
(26531 活性数据)
PPARG
Tclin
Peroxisome proliferator-activated receptor gamma
(15191 活性数据)
THRB
Tclin
Thyroid hormone receptor beta-1
(7926 活性数据)
RXRA
Tclin
Retinoid X receptor alpha
(3637 活性数据)
NR1H4
Tclin
Bile acid receptor FXR
(6228 活性数据)
NFKB1
Tclin
Nuclear factor NF-kappa-B p105 subunit
(1459 活性数据)
TP53
Tchem
Cellular tumor antigen p53
(48468 活性数据)
关联靶点（其它种属）
Ppard
Peroxisome proliferator-activated receptor delta (358 活性数据)
Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 活性数据)
Nr1i2
Nuclear receptor subfamily 1 group I member 2 (14 活性数据)
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 |
|---|
化学和物理性质
溶解性
Not miscible in water. Soluble in alcohol, dipropylene glycol
密度
0.87
折光率
1.431
闪点(℉)
>235.4 °F
闪点(℃)
113 °C
沸点
262°C
熔点
4-5°C
分子量
214.340 g/mol
XLogP3
5.800
氢键供体数Hydrogen Bond Donor Count
0
氢键受体数Hydrogen Bond Acceptor Count
2
可旋转键计数Rotatable Bond Count
11
精确质量Exact Mass
214.193 Da
单同位素质量Monoisotopic Mass
214.193 Da
拓扑极表面积Topological Polar Surface Area
26.300 Ų
重原子数Heavy Atom Count
15
形式电荷Formal Charge
0
复杂度Complexity
143.000
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
信号词
警告
危险声明
H400: 对水生生物有剧毒
H411: 对水生生物有毒并具有长期持续影响
预防措施声明
P273: 避免释放到环境中。
P391: 收集溢出物
P501: 将内容物/容器处理到。。。
WGK Germany
1
个人防护装备
Eyeshields,Gloves
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技术文档和文章
Application of Fatty Acid Methyl Ester Sulfonate (MES) in Household Detergent and Cleaning Formulations: Detergency, Hard-Water Tolerance, and Selection Criteria
目录： 技术文章
此产品的引用文献
引用文献
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| 2. Hongxu Lu, Yanxia Liu, Wenyue Shen, Yang Zhou, Xiangwei Ma, Shibo Sun, Xiaoying Dong, Fengyun Ji, Huiyan Tong, Jianqiang Xu, Gaohong He, Weiping Xu. (2023) Yeast enrichment facilitated lipid removal and bioconversion by black soldier fly larvae in the food waste treatment. WASTE MANAGEMENT, [PMID:37172516] [10.1016/j.wasman.2023.04.003] |
| 3. Tinghu Wang, Wenjing Zhang, Yuzhi Li, Furang Li, Junhao Liu, Lei Fan, Jianye Fu, Xinmei Liu, Yuchao Lyu. (2022) Quantitative synergy between metal and acid centers over the Ni/Beta bifunctional catalyst for methyl laurate hydrodeoxygenation to bio-jet fuel. FUEL PROCESSING TECHNOLOGY, [10.1016/j.fuproc.2022.107602] |
| 4. Qi Zeng, Mengmeng Sun, Xin Xie, Yuli Zhang, Haoyue Hou, Xingyuan Fang, Ting Guo, Hao Yuan, Tao Meng. (2022) Lipase-Entrapped Colloidosomes with Tunable Positioning at the Oil–Water Interface for Pickering Emulsion-Enhanced Biocatalysis. ACS Applied Materials & Interfaces, [PMID:36453582] [10.1021/acsami.2c17451] |
| 5. Lingcheng Meng, Jinling Zhang, Shuang Zhao, Desheng Qi, Pan Xu, Shuoqi Wu, Le Wang, Xigui Yue, Zhenhua Jiang. (2022) A Novel PEEK Foam with Ultra-High Temperature-Resistant by Temperature Induced Phase Separation. MACROMOLECULAR MATERIALS AND ENGINEERING, 308 (5): (2200559). [10.1002/mame.202200559] |
| 6. Li Dan, Pang Yan, Wang Jingying, Sun Danlin, Zhang Xuena, Yue Danwei, Hao Longxia. (2022) Excess Molar Volume, Viscosity and Refractive Index for Binary Mixtures of Methyl Laurate with n-Octane, Iso-Octane or Ethyl Cyclohexane. JOURNAL OF SOLUTION CHEMISTRY, 51 (7): (752-767). [10.1007/s10953-022-01160-4] |
| 7. Lin Fu, Zhaoxin Liu, Xin Li, Yongfei Li, Houyi Yang, Yuejin Liu. (2022) Boosting bio-lipids deoxygenation via tunable metal-support interaction in nickel/ceria-based catalysts. FUEL, [10.1016/j.fuel.2022.124027] |
| 8. Chenchen Zhou, Junjun Fan, Ruinan Tan, Qin Peng, Junhuo Cai, Wangxiang Zhang. (2022) Prediction of Linalool Content in Osmanthus fragrans Using E-Nose Technology. Journal of Sensors, [10.1155/2022/7349030] |
| 9. Xin Xiao, Zhaokun Yang, Qiuyan Yu, Dongjian Shi, Weifu Dong, Hongji Zhang, Mingqing Chen. (2022) Regulating the wetting behaviors of hollow silica photonic crystals in detection and encryption applications. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [10.1016/j.colsurfa.2022.128749] |
| 10. Ruijuan Duan, Meiling Qi. (2022) Separation performance of pentiptycene-functionalized triblock copolymers towards the isomers of xylenes, phenols and anilines and the complex components in essential oil. JOURNAL OF CHROMATOGRAPHY A, [PMID:35278809] [10.1016/j.chroma.2022.462927] |
| 11. Xiong Zheng, An Huang, Yanqiong Bao, Sheng Wang, Guangzhao Qin, Yu Liu. (2022) Measurement of the thermal conductivity of the components of biodiesels: Methyl laurate and methyl myristate. FLUID PHASE EQUILIBRIA, [10.1016/j.fluid.2022.113409] |
| 12. Cheng Du, Chenglong Qiu, Zhongying Fang, Ping Li, Yijing Gao, Jianguo Wang, Wei Chen. (2021) Interface hydrophobic tunnel engineering: A general strategy to boost electrochemical conversion of N2 to NH3. Nano Energy, [10.1016/j.nanoen.2021.106784] |
| 13. Jing Fan, Shuangshuo Liu, Qinglong Meng, Fenhong Song. (2020) Liquid thermal conductivity of three biodiesel compounds: Methyl myristate, methyl laurate and methyl caprate. JOURNAL OF CHEMICAL THERMODYNAMICS, [10.1016/j.jct.2020.106374] |
| 14. Dechao Hu, Zhiqiang Wang, Wenshi Ma. (2020) Fabrication and characterization of a novel polyurethane microencapsulated phase change material for thermal energy storage. PROGRESS IN ORGANIC COATINGS, [10.1016/j.porgcoat.2020.106006] |
| 15. Zhoutian Ding, Tong Zhao, Qing Zhu, Shengyun Liao, Liangmin Ning, Yadong Bi, Hui Chen. (2020) Facile synthesis Cobalt catalysts for regulating the deoxygenation pathways in producing diesel-like hydrocarbon fuels. BIOMASS & BIOENERGY, [10.1016/j.biombioe.2020.105879] |
| 16. Pingling Zhang, Shuang Liu, Zhengang Zhao, Lijun You, Mark D. Harrison, Zhanying Zhang. (2020) Enzymatic acylation of cyanidin-3-glucoside with fatty acid methyl esters improves stability and antioxidant activity. FOOD CHEMISTRY, [PMID:33160770] [10.1016/j.foodchem.2020.128482] |
| 17. Zihao Zhang, Meizan Jing, Hao Chen, Francis Okejiri, Jixing Liu, Yan Leng, Haolan Liu, Weiyu Song, Zhaoyin Hou, Xiuyang Lu, Jie Fu, Jian Liu. (2020) Transfer Hydrogenation of Fatty Acids on Cu/ZrO2: Demystifying the Role of Carrier Structure and Metal–Support Interface. ACS Catalysis, [10.1021/acscatal.0c02320] |
| 18. Zhiqiang Wang, Wenshi Ma, Dechao Hu, Li Wu. (2020) Synthesis and characterization of microencapsulated methyl laurate with polyurethane shell materials via interfacial polymerization in Pickering emulsions. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [10.1016/j.colsurfa.2020.124958] |
| 19. Xiaoting Jing, Zhen Li, Bing Lu, Yuyang Han, Yingnan Chi, Changwen Hu. (2020) Assembly of polyoxometalate with graphene foam as a compressible monolithic catalyst for biodiesel production. APPLIED CATALYSIS A-GENERAL, [10.1016/j.apcata.2020.117613] |
| 20. Xin Gou, Francis Okejiri, Zihao Zhang, Miaomiao Liu, Jixing Liu, Hao Chen, Kequan Chen, Xiuyang Lu, Pingkai Ouyang, Jie Fu. (2020) Tannin-derived bimetallic CuCo/C catalysts for an efficient in-situ hydrogenation of lauric acid in methanol-water media. FUEL PROCESSING TECHNOLOGY, [10.1016/j.fuproc.2020.106426] |
| 21. Tao Chen, Run-Ze Hu, Xiao-Hui Yao, Qiang Yang, Shi-Min Shuai, Jun Wang, Ming Xu, Dong-Yang Zhang, Yu-Jie Fu, Long Li, Wei-Guo Zhao. (2019) Effect of Pyrola extract on the stability of palm biodiesel upon exposure to copper. RENEWABLE ENERGY, [10.1016/j.renene.2019.10.129] |
| 22. Xue Xiong, Meiling Qi. (2019) Adenine-functionalized polypropylene glycol: A novel stationary phase for gas chromatography offering good inertness for acids and bases combined with a unique selectivity. JOURNAL OF CHROMATOGRAPHY A, [PMID:31668867] [10.1016/j.chroma.2019.460627] |
| 23. Wenqi Zhao, Yitong Dai, Haiyun Sun, Yongsheng Guo, Wenjun Fang. (2019) Densities and Viscosities for the Ternary Mixtures of exo-Tetrahydrodicyclopentadiene (1) + Isopropylcyclohexane (2) + Methyl Laurate (3) and Corresponding Binaries. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [10.1021/acs.jced.9b00397] |
| 24. Dan Li, Meng Guo, Xia Wang, Shutong Lin, Wei Jia, Guangyi Wang. (2019) Measurement and correlation of density and viscosity of binary mixtures of fatty acid (methyl esters + methylcyclohexane). JOURNAL OF CHEMICAL THERMODYNAMICS, [10.1016/j.jct.2019.05.021] |
| 25. Nisakorn Saengprachum, Dongren Cai, Mantian Li, Ling Li, Xiaocheng Lin, Ting Qiu. (2019) Acidic chitosan membrane as an efficient catalyst for biodiesel production from oleic acid. RENEWABLE ENERGY, [10.1016/j.renene.2019.05.101] |
| 26. Xiaojiang Liang, Yanren Fei, Qinglong Xie, Yang Liu, Meizhen Lu, Fan Xia, Yong Nie, Jianbing Ji. (2019) Sulfuryl Fluoride Absorption from Fumigation Exhaust Gas by Biobased Solvents: Thermodynamic and Quantum Chemical Analysis. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [10.1021/acs.iecr.8b06112] |
| 27. Xiaojie Wang, Shanshan Zhu, Xiaopo Wang. (2019) Liquid viscosities for methyl hexanoate, methyl heptanoate, methyl caprylate, and methyl nonanoate at high pressures. JOURNAL OF CHEMICAL THERMODYNAMICS, [10.1016/j.jct.2019.02.026] |
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