基本描述

英文别名	NSC66496 \| NSC-66496 \| i-hexane \| Isohexane, mixture of isomeric branched chain hexanes, < 5% n-hexane \| Q209445 \| UNII-49IB0U6MLD \| DTXCID509143 \| 1,1-Dimethylbutane \| MFCD02179311 \| 2-METHYLPENTANE \| 2-Methyl-pentane \| (CH3)2CH(CH2)2CH3 \| 2-Methyl penta
规格或纯度	ACS, ≥98.5%
英文名称	Hexane, mixture of isomers
产品介绍	其产物为己烷异构体和甲基环戊烷的混合物。可以通过蒸馏或裂解的方法从石油中分离出己烷（异构体的混合物）。它们构成石油醚的主要成分。它是一种不可再生的有机溶剂，主要用于油脂的溶解和提取。使用Fe2(BDP)3（BDP2-= 1,4-苯二吡唑酸酯）根据支化度对己烷的异构体进行分离的研究已有报道。应用己烷 (n-己烷)已用于制备手性固定相 (IMPCSP) 合成所需的前体。通过高效液相色谱 (HPLC) 和超临界流体色谱 (SFC)，IMPCSP 可用于外消旋药物的对映体分离。其可用作微流体装置的载体相。 The product is a mixture of hexane isomers and methylcyclopentane. Hexane (mixture of isomers) can be isolated from petroleum by distillation or by cracking. They form major constituents of petroleum ether. It is a non-renewable organic solvent mainly used for the dissolution and extraction of oils and fats. Separation of the isomeric forms of hexane on the basis of degree of branching using Fe2(BDP)3(BDP2-= 1,4-benzenedipyrazolate) has been reported.Hexane (n-hexane) has been used in the preparation of precursor required for the synthesis of chiral stationary phase (IMPCSP). IMPCSP was employed for the enantioseparation of racemic drugs by high-performance liquid chromatography (HPLC) and supercritical fluid chromatography (SFC). It may be used as a carrier phase for microfluidic devices.

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关联靶点（其它种属）

Oryctolagus cuniculus (11301 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	Journal	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

EC号	203-523-4
分子类型	小分子
IUPAC Name	2-methylpentane
INCHI	InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChi Key	AFABGHUZZDYHJO-UHFFFAOYSA-N
Canonical SMILES	CCCC(C)C
Isomeric SMILES	CCCC(C)C
WGK Germany	2
RTECS	SA2985000
PubChem CID	7892
UN Number	1208
Packing Group	II
分子量	86.17
Beilstein号	1730735
Reaxy-Rn	1730735

化学和物理性质

密度	0.672g/mL at 25°C (lit.)
折光率	1.37-1.372
闪点(℉)	-9.4℉
闪点(℃)	-23 ℃
沸点	62°C
熔点	-154°C
分子量	86.180 g/mol
XLogP3	3.200
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	0
可旋转键计数Rotatable Bond Count	2
精确质量Exact Mass	86.1096 Da
单同位素质量Monoisotopic Mass	86.1096 Da
拓扑极表面积Topological Polar Surface Area	0.000 Å²
重原子数Heavy Atom Count	6
形式电荷Formal Charge	0
复杂度Complexity	21.200
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）

一般危化品	一般危化品
象形图	GHS08, GHS09, GHS07, GHS02
信号词	Danger
危险声明	H315: 引起皮肤刺激 H411: 对水生生物有毒并具有长期持续影响 H225: 高度易燃的液体和蒸气 H336: 可能引起嗜睡或头晕 H304: 吞咽并进入呼吸道可能致命
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 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。 P301+P310: 如误吞咽：立即呼叫急救中心/医生。 P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。 P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P233: 保持容器密闭。 P240: 地面/粘结容器和接收设备 P264: 处理后要彻底洗手。 P403+P235: 存放在通风良好的地方。保持低温。 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。 P271: 仅在室外或通风良好的地方使用。 P241: 使用防爆的[电气/通风/照明/.../]设备。 P331: 不要催吐 P403+P233: 存放在通风良好的地方。保持容器密闭。 P332+P313: 如发生皮肤刺激：求医/就诊。 P391: 收集溢出物 P242: 仅使用无火花的工具。 P243: 采取防静电措施 P304+P340+P312: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。如感觉不适，呼叫急救中心/医生。
WGK Germany	2
RTECS	SA2985000
Reaxy-Rn	1730735
Class	3
个人防护装备	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)

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此产品的引用文献

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1. Yin Xie, Xiaowei Xu, Yan Cui, Liang Qiao, Kebin Chi, Dejun Shi, Yang Bai, Zhijie Wu, Shengbao He. (2023) Colloidal chemistry of MAPbI3 perovskite ink using 2-methoxyethanol as the solvent. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 677 (7): (132406). [PMID:24207024] [10.1016/j.colsurfa.2023.132406]
2. Ruijuan Duan, Meiling Qi. (2021) Amphiphilic triblock copolymer as the gas chromatographic stationary phase with high-resolution performance towards a wide range of isomers and the components of lemon essential oil. JOURNAL OF CHROMATOGRAPHY A, 1658 (462611). [PMID:34666270] [10.1016/j.chroma.2021.462611]
3. Lele Jin, Wenzhi Li, Qiying Liu, Longlong Ma, Chao Hu, Ajibola T. Ogunbiyi, Mingwei Wu, Qi Zhang. (2020) High performance of Mo-promoted Ir/SiO2 catalysts combined with HZSM-5 toward the conversion of cellulose to C5/C6 alkanes. BIORESOURCE TECHNOLOGY, 297 (122492). [PMID:31796376] [10.1016/j.biortech.2019.122492]
4. Lele Jin, Wenzhi Li, Qiying Liu, Longlong Ma, Song Li, Yang Liu, Baikai Zhang, Qi Zhang. (2019) Catalytic conversion of cellulose to C5/C6 alkanes over Ir-VOx/SO2 combined with HZSM-5 in n-dodecane/water system. FUEL PROCESSING TECHNOLOGY, 196 (106161). [10.1016/j.fuproc.2019.106161]
5. Lin Fan, Xiu-Ping Yan. (2012) Evaluation of isostructural metal–organic frameworks coated capillary columns for the gas chromatographic separation of alkane isomers. TALANTA, 99 (944). [PMID:22967647] [10.1016/j.talanta.2012.07.063]
6. Xue Xiong,Meiling Qi. (2018-08-14) Hexagonal boron nitride stationary phase for gas chromatography.. Journal of chromatography. A, 1567 (191-197). [PMID:30100014]
7. Qian Yuan,Meiling Qi. (2020-04-19) Triptycene-based dicationic guanidinium ionic liquid: A novel stationary phase of high selectivity towards a wide range of positional and structural isomers.. Journal of chromatography. A, 1621 (461084-461084). [PMID:32303345]

参考文献

1. Krishna Jayant,Michael Wenzel,Yuki Bando,Jordan P Hamm,Nicola Mandriota,Jake H Rabinowitz,Ilan Jen-La Plante,Jonathan S Owen,Ozgur Sahin,Kenneth L Shepard,Rafael Yuste. (2019-01-04) Flexible Nanopipettes for Minimally Invasive Intracellular Electrophysiology In\xa0Vivo.. Cell reports, 26 ((1)): (266-278). [PMID:30605681]
2. Yin Xie, Xiaowei Xu, Yan Cui, Liang Qiao, Kebin Chi, Dejun Shi, Yang Bai, Zhijie Wu, Shengbao He. (2023) Colloidal chemistry of MAPbI3 perovskite ink using 2-methoxyethanol as the solvent. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 677 (7): (132406). [PMID:24207024] [10.1016/j.colsurfa.2023.132406]
3. Ruijuan Duan, Meiling Qi. (2021) Amphiphilic triblock copolymer as the gas chromatographic stationary phase with high-resolution performance towards a wide range of isomers and the components of lemon essential oil. JOURNAL OF CHROMATOGRAPHY A, 1658 (462611). [PMID:34666270] [10.1016/j.chroma.2021.462611]
4. Lele Jin, Wenzhi Li, Qiying Liu, Longlong Ma, Chao Hu, Ajibola T. Ogunbiyi, Mingwei Wu, Qi Zhang. (2020) High performance of Mo-promoted Ir/SiO2 catalysts combined with HZSM-5 toward the conversion of cellulose to C5/C6 alkanes. BIORESOURCE TECHNOLOGY, 297 (122492). [PMID:31796376] [10.1016/j.biortech.2019.122492]
5. Lele Jin, Wenzhi Li, Qiying Liu, Longlong Ma, Song Li, Yang Liu, Baikai Zhang, Qi Zhang. (2019) Catalytic conversion of cellulose to C5/C6 alkanes over Ir-VOx/SO2 combined with HZSM-5 in n-dodecane/water system. FUEL PROCESSING TECHNOLOGY, 196 (106161). [10.1016/j.fuproc.2019.106161]
6. Lin Fan, Xiu-Ping Yan. (2012) Evaluation of isostructural metal–organic frameworks coated capillary columns for the gas chromatographic separation of alkane isomers. TALANTA, 99 (944). [PMID:22967647] [10.1016/j.talanta.2012.07.063]
7. Xue Xiong,Meiling Qi. (2018-08-14) Hexagonal boron nitride stationary phase for gas chromatography.. Journal of chromatography. A, 1567 (191-197). [PMID:30100014]
8. Qian Yuan,Meiling Qi. (2020-04-19) Triptycene-based dicationic guanidinium ionic liquid: A novel stationary phase of high selectivity towards a wide range of positional and structural isomers.. Journal of chromatography. A, 1621 (461084-461084). [PMID:32303345]

溶液计算器

摩尔浓度计算器

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分子量

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稀释计算器

计算配制储备溶液所需的稀释度。

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体积 1 (V1)

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浓度 2 (C2)

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复溶计算器

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体积（添加到小瓶中）

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质量（小瓶）

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所需的复溶浓度

货号 (SKU)	包装规格	是否现货
H475253-500ml	500ml	期货
H475253-1L	1L	期货
H475253-2.5L	2.5L	期货
H475253-6×500ml	6×500ml	期货
H475253-4L	4L	期货
H475253-4×4L	4×4L	期货
H475253-18L	18L	期货
H475253-100L	100L	期货
H475253-200L	200L	期货

己烷，异构体混合物

库存信息

库存信息

库存信息

库存信息

库存信息

库存信息

库存信息

库存信息

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库存信息

基本描述

AI解读

关联靶点（其它种属）

作用机制

名称和识别符

化学和物理性质

安全和危险性（GHS）

技术规格说明书

质检证书（CoA,COO,BSE/TSE 和分析图谱)

相关文档

此产品的引用文献

参考文献

溶液计算器

摩尔浓度计算器

稀释计算器

复溶计算器