概述规格名称和识别符技术文档高级数据系统学分类三维结构作用机制质检证书（CoA,COO,BSE/TSE 和分析图谱) 化学和物理性质安全和危险性（GHS）此产品的引用文献技术文档和文章引用文献溶液计算器

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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。

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储存与运输

室温。DG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 190 篇同行评审文献引用。

概述

溶于苯、甲苯、二甲苯、氯仿、乙醚、二硫化碳、四氯化碳、二甲基甲酰胺和降蓖麻油以外的油类，微溶于无水乙醇，几乎不溶于。易燃。有刺激性有机合成。溶剂。测定燃料油的辛烷值。气相色谱分析标准。稀释剂。

A hydrocarbon isomer of octane.

规格

别名

2,2,4-三甲基戊烷

英文别名

规格或纯度

≥99%

英文名称

Isooctane

生化机理

异辛烷是辛烷的异构体，也是辛烷值 100 分的标准。这种化合物还被用来筛选使 Cerivisiae 对异辛烷耐受的基因，并研究它们的行为。

应用

有机合成。溶剂。测定燃料油的辛烷值。气相色谱分析标准。稀释剂。

储存条件

室温

运输条件

DG运输

纯度

≥99%

名称和识别符

PubChem SID

488181220

EC号

208-759-1

分子类型

小分子

IUPAC Name

2,2,4-trimethylpentane

INCHI

1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3

InChi Key

NHTMVDHEPJAVLT-UHFFFAOYSA-N

Smiles

CC(C)CC(C)(C)C

Isomeric SMILES

CC(C)CC(C)(C)C

UN Number

1262

Packing Group

分子量

114.23

Beilstein号

1696876

Reaxy-Rn

1696876

Reaxys-RN link address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696876&ln=

技术文档

📋 安全数据表 (SDS)

全面的危险、操作、储存及法规合规文件。

下载 SDS →

✅ 分析证书 (COA)

批次质量数据。输入批号以获取对应 COA。

查询 COA →

📊 产品数据表

产品规格和应用的快速参考摘要。

查看数据表 →

🔬 规格说明书

该级别的完整质量属性和验收标准。

查看规格说明 →

高级数据

系统学分类

分类树（Taxonomy Tree）

界（kingdom) 有机化合物
- 超类（Superclass) 碳氢化合物
  - 类（Class) 饱和烃
    - 亚类（Subclass）烷烃

界（kingdom)	有机化合物
超类（Superclass)	碳氢化合物
类（Class)	饱和烃
亚类（Subclass）	烷烃
中间层级节点（Intermediate Tree Nodes）	暂无
直接上位类(Direct Parent)	支链烷烃
其他上位类（Alternative Parents）	暂无
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 - 支链烷烃
描述（Description）	该化合物属于有机化合物中的支链烷烃类。这类非环状支链烃的通式为CnH2n+2。
外部描述符（External Descriptors）	alkane

三维结构

交互式化学结构模型

球棍
棍棒
线框模型
空间填充
显示氢气
动画

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

不溶于水；可混溶于庚烷、丙酮；可溶于乙醚、苯、氯仿、甲苯

密度

0.692

折光率

1.39157

闪点(℃)

-12℃

沸点

99.3°C

熔点

-107.4°C

分子量

114.230 g/mol

XLogP3

3.800

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

114.141 Da

单同位素质量Monoisotopic Mass

114.141 Da

拓扑极表面积Topological Polar Surface Area

0.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

54.900

同位素原子数Isotope Atom Count

定义的原子立体中心计数Defined Atom Stereocenter Count

未定义的原子立体中心计数Undefined Atom Stereocenter Count

定义的键立体中心计数Defined Bond Stereocenter Count

未定义的键立体中心计数Undefined Bond Stereocenter Count

所有立体化学键的总数The total count of all stereochemical bonds

共价键合单元计数Covalently-Bonded Unit Count

安全和危险性（GHS）

一般危化品

象形图

GHS02, GHS07, GHS08, GHS09

信号词

危险

危险声明

H225: 高度易燃的液体和蒸气

H304: 吞咽并进入呼吸道可能致命

H315: 引起皮肤刺激

H336: 可能引起嗜睡或头晕

H400: 对水生生物有剧毒

H410: 对水生生物有剧毒并具有长期持续影响

预防措施声明

P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。

P233: 保持容器密闭。

P240: 地面/粘结容器和接收设备

P241: 使用防爆的[电气/通风/照明/.../]设备。

P242: 仅使用无火花的工具。

P243: 采取防静电措施

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P264: 处理后要彻底洗手。

P271: 仅在室外或通风良好的地方使用。

P273: 避免释放到环境中。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P321: 特殊处理（请参阅此标签上的...）。

P331: 不要催吐

P391: 收集溢出物

P302+P352: 如皮肤沾染：用水充分清洗。

P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。

P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。

P405: 密闭存放

P403+P233: 存放在通风良好的地方。保持容器密闭。

P403+P235: 存放在通风良好的地方。保持低温。

P501: 将内容物/容器处理到。。。

P301+P316: 如果吞咽：立即寻求紧急医疗救助。

P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。

P319: 如果你感到不适，请寻求医疗帮助。

WGK Germany

RTECS

SA3320000

Class

Merck Index

5193

个人防护装备

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！

找到82个结果

批号(Lot Number)	证书类型	货号
H2621117	分析证书	I103239
H2621118	分析证书	I103239
H2621119	分析证书	I103239
H2621122	分析证书	I103239
G2602232	分析证书	I103239
G2602228	分析证书	I103239
G2602233	分析证书	I103239
G2602235	分析证书	I103239
D2621411	分析证书	I103239
D2621525	分析证书	I103239
D2621416	分析证书	I103239
D2621415	分析证书	I103239
B2624192	分析证书	I103239
B2624193	分析证书	I103239
B2624194	分析证书	I103239
B2624195	分析证书	I103239
K2524192	分析证书	I103239
K2524194	分析证书	I103239
K2524199	分析证书	I103239
K2505149	分析证书	I103239
K2505181	分析证书	I103239
K2505179	分析证书	I103239
A2203278	分析证书	I103239
E2530185	分析证书	I103239
E2530183	分析证书	I103239
E2530186	分析证书	I103239
E2530184	分析证书	I103239
E2527244	分析证书	I103239
E2527246	分析证书	I103239
E2527281	分析证书	I103239
E2527243	分析证书	I103239
C2514143	分析证书	I103239
C2514137	分析证书	I103239
C2514120	分析证书	I103239
B2505022	分析证书	I103239
A2517102	分析证书	I103239
A2517101	分析证书	I103239
A2517100	分析证书	I103239
A2517097	分析证书	I103239
I2404016	分析证书	I103239
I2404018	分析证书	I103239
I2404019	分析证书	I103239
I2404017	分析证书	I103239
H2427116	分析证书	I103239
H2427115	分析证书	I103239
H2427114	分析证书	I103239
G2416409	分析证书	I103239
G2416420	分析证书	I103239
G2416421	分析证书	I103239
G2416410	分析证书	I103239
F2425292	分析证书	I103239
F2425288	分析证书	I103239
F2425287	分析证书	I103239
J2410737	分析证书	I103239
J2410738	分析证书	I103239
B24231150	分析证书	I103239
B24231149	分析证书	I103239
B24231148	分析证书	I103239
K2315324	分析证书	I103239
K2315305	分析证书	I103239
K2315304	分析证书	I103239
H2316640	分析证书	I103239
H2316641	分析证书	I103239
H2316639	分析证书	I103239
H2316638	分析证书	I103239
J2325076	分析证书	I103239
C2323744	分析证书	I103239
C2323743	分析证书	I103239
C2323729	分析证书	I103239
C2323658	分析证书	I103239
K2208363	分析证书	I103239
K2208384	分析证书	I103239
K2208393	分析证书	I103239
K2208688	分析证书	I103239
H2202605	分析证书	I103239
G2208147	分析证书	I103239
F2211035	分析证书	I103239
F2211039	分析证书	I103239
B2225476	分析证书	I103239
B2209107	分析证书	I103239
H2202604	分析证书	I103239
A2203283	分析证书	I103239

显示更多⌵

技术文档和文章

脂肪酸（fatty acids）是一类带羧基（–COOH）的长碳链化合物，是脂质世界里的“积木”。它们既可以以游离脂肪酸（FFA）存在，也常以甘油三酯（TAG）、磷脂、胆固醇酯等形式“被装配”进更复杂的脂类结构中。

目录：技术文章

探索主题:

脂肪酸长碳链化合物

Fatty Acids from Basics to Lab Practice: Structural Classification, Research Uses, and Selection Tips (with an Aladdin Representative Product Quick-Reference Table)

目录：技术文章

探索主题:

Fatty acids Long-chain carbon compounds

酚醛树脂在涂料中的选型与配方设计要点：适用场景、应用限制与性能验证

目录：技术文章

探索主题:

酚醛树脂涂料

Selection and Formulation Design Guidelines for Phenolic Resins in Coatings: Applicable Scenarios, Application Limitations, and Performance Verification

目录：技术文章

探索主题:

Phenol-Formaldehyde Resin Paint

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3. Rongrong Zhu, Yan Yuan, Rourou Qi, Jianying Liang, Yan Shi, Hongbo Weng. (2023) Quantitative profiling of carboxylic compounds by gas chromatography-mass spectrometry for revealing biomarkers of diabetic kidney disease. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, [PMID:38029665] [10.1016/j.jchromb.2023.123930]
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5. Yu-Ping Zhang, Ya-Ning Wang, Li Wan, Xin-Xin Chen, Chang-Hua Zhao. (2023) Superwetting Stainless Steel Mesh Used for Both Immiscible Oil/Water and Surfactant-Stabilized Emulsion Separation. Membranes, 13 (10): (808). [PMID:37887980] [10.3390/membranes13100808]
6. Yue Wu, Guangyuan Lu, Ping Xu, Tian C. Zhang, Huaqiang He, Shaojun Yuan. (2023) Hierarchical Ni-Mn LDHs@CuC2O4 Nanosheet Arrays-Modified Copper Mesh: A Dual-Functional Material for Enhancing Oil/Water Separation and Supercapacitors. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24 (18): (14085). [PMID:37762387] [10.3390/ijms241814085]
7. Xian He, Wanshui Yang, Qihong Zhao, Xinsheng Qin. (2023) Controlled oxidation and digestion of Pickering emulsions stabilized by quinoa protein and (-)-epigallocatechin-3-gallate (EGCG) hybrid particles. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:37678683] [10.1016/j.ijbiomac.2023.126755]
8. Zhengchao Shen, Kexin Tian, Muhammad Mujahid Ali, Sifan Mei, Xin Ma, Jiang Liang, Feng Pan, Jianwen Li, Haixia Sui, Zhenxia Du. (2023) The occurrence and probabilistic risk assessment of 3-MCPDEs and GEs in infant formulas from Chinese market employing Monte Carlo simulation technique. FOOD AND CHEMICAL TOXICOLOGY, [PMID:37532171] [10.1016/j.fct.2023.113978]
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10. Ying Sun, Ju Bai, Peijun Zheng, Qi Wu, Zhili Cai, Tianliang Han, Linglong Shan, Shuangjiang Luo, Suojiang Zhang. (2023) Interfacially polymerized nanofilms with triptycene moieties and enhanced micropore interconnectivity for highly permselective gas separations. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2023.144414]
11. Xin-Xin Chen, Yu-Ping Zhang, Hong-Li Du, Li Wan, Cheng-Gang Zuo, Ling-Bo Qu. (2023) “Two birds with one stone” strategy for oil/water separation based on Ni foams assembled using metal–organic frameworks. NEW JOURNAL OF CHEMISTRY, 47 (30): (14289-14296). [10.1039/D3NJ02170J]
12. Yong Chen, Xin Zhong, Hu Wang, Bing Li, Zhifeng Yao, Mengnan Zhang, Zunqing Zheng, Mingfa Yao. (2023) An experimental and kinetic modeling study on low-temperature oxidation of gasoline and diesel/polyoxymethylene dimethyl ether (OME3) blends. COMBUSTION AND FLAME, [10.1016/j.combustflame.2023.112902]
13. Xing Xing, Yao Zhou, Yelu Wei, Yuchen Zhang, Zaiqin Man, Weihua Zhang, Zhenda Lu. (2023) Patterning of Molecules/Ions via Reverse Micelle Vessels by Nanoxerography. ACS Applied Materials & Interfaces, [PMID:37296516] [10.1021/acsami.3c03341]
14. Weijie Jia, Yuqi Su, Songtao Cao, Ao Dong, Ying Zhang, Maogang He. (2023) Mutual diffusion coefficients of three alkanes (n-heptane, n-octane and isooctane) in cyclohexane from 288.15 K to 308.15 K. JOURNAL OF CHEMICAL THERMODYNAMICS, [10.1016/j.jct.2023.107086]
15. Linlin Yan, Xiaobin Yang, Yangxue Li, Rong Song, Yong Lin, Qinglin Huang, Lu Shao. (2023) Acid-resistant supramolecular nanofibrous hydrogel membrane with core-shell structure for highly efficient oil/water separation. JOURNAL OF MEMBRANE SCIENCE, [10.1016/j.memsci.2023.121705]
16. Liqun Zhang, Pinggu Wu, Xiaoling Xiang, Dajin Yang, Liyuan Wang, Zhengyan Hu. (2023) Optimization of Physical Refining Process of Camellia Oil for Reduction of 3-Monochloropropane-1,2-Diol (3-MCPD) Ester Formation Using Response Surface Methodology on a Laboratory Scale. MOLECULES, 28 (8): (3616). [PMID:37110851] [10.3390/molecules28083616]
17. Zhengyu Wang, Yufeng Hu, Zhiduo Ding, Hao Zhou, Jianye Zhang, Jingjing Zhan, Minghuo Wu. (2023) Determination of Organic Nitrogen Compounds in Gasoline by Water-Assisted Dispersive Solid-Phase Extraction (DSPE) and High-Performance Liquid Chromatography-High-Resolution Mass Spectrometry (HPLC-HRMS). ANALYTICAL LETTERS, [10.1080/00032719.2022.2101059]
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19. Yanqiong Bao, An Huang, Guangzhao Qin, Xiong Zheng. (2023) Experimental studies of the thermal conductivity of isooctane and n-octanol at elevated temperature and pressure. FLUID PHASE EQUILIBRIA, [10.1016/j.fluid.2023.113792]
20. Hao Ling, Lei Wang, Qixuan Lin, Quanbo Huang, Xiaoqian Zhang, Junli Ren, Ning Li, Cheng Zhou, Zhiwei Lin, Jingpeng Zhou, Wenguang Wei, Xiaohui Wang. (2023) Antimicrobial cellulose paper tuned with chitosan fibers for high-flux oil/water separation. CARBOHYDRATE POLYMERS, [PMID:37059534] [10.1016/j.carbpol.2023.120794]
21. Jian Lu, Yu Zhang, Jing Li, Meifang Fu, Guoxiang Zou, Shinji Ando, Yongbing Zhuang. (2023) Tröger’s Base (TB)-Based Polyimides as Promising Heat-Insulating and Low-K Dielectric Materials. MACROMOLECULES, [10.1021/acs.macromol.2c02148]
22. Yajie Ding, Jianqiang Wang, Jindan Wu, Jiping Wang, Fu Liu. (2023) Binary nanofibrous membranes with independent oil/water transport channels for durable emulsion separation. JOURNAL OF MEMBRANE SCIENCE, [10.1016/j.memsci.2023.121484]
23. Jingya Zhang, Feng Zhang, Wangxi Fang, Jian Jin. (2023) Membrane wettability manipulation via mixed-dimensional heterostructured surface towards highly efficient oil-in-water emulsion separation. JOURNAL OF MEMBRANE SCIENCE, [10.1016/j.memsci.2023.121472]
24. Hu Wang, Bing Li, Yong Chen, Xin Zhong, Zhifeng Yao, Mengnan Zhang, Zunqing Zheng, Mingfa Yao. (2023) Experimental and kinetic modeling studies on the interaction of DMM3-isooctane blends during the low-temperature oxidation. FUEL, [10.1016/j.fuel.2023.127606]
25. Taimei Cai, Huijie Chen, Lihua Yao, Hailong Peng. (2022) 3D Hierarchical Porous and N-Doped Carbonized Microspheres Derived from Chitin for Remarkable Adsorption of Congo Red in Aqueous Solution. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24 (1): (684). [PMID:36614127] [10.3390/ijms24010684]
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