592579

庚烷

suitable for HPLC, ≥96%

• 线性分子式: CH₃(CH₂)₅CH₃
• CAS号: 142-82-5
• 分子量: 100.20
• Beilstein: 1730763
• EC 号: 205-563-8
• MDL编号: MFCD00009544
• PubChem化学物质编号: 329758614
• NACRES: NA.06

属性

• 蒸汽密度: 3.5 (vs air)
• 质量水平: 100
• 蒸汽压: 40 mmHg ( 20 °C); 83 mmHg ( 37.7 °C)
• 检测方案: ≥96%
• 形式: liquid
• 自燃温度: 433 °F
• 组成: n-heptane, 96%
• expl. lim.: 7 %
• 环保替代产品特性: Safer Solvents and Auxiliaries; Learn more about the Principles of Green Chemistry.
• technique(s): HPLC: suitable
• 杂质: <0.02% water
• 蒸发残留物: <0.0003%
• 颜色: APHA: ≤10
• 折射率: n20/D 1.387 (lit.)
• bp: 98 °C (lit.); 98 °C
• mp: −91 °C (lit.)
• 溶解性: acetone: miscible(lit.); carbon tetrachloride: soluble(lit.); ethanol: very soluble(lit.); ethyl acetate: miscible(lit.); water: insoluble(lit.)
• 密度: 0.684 g/mL at 25 °C (lit.)
• λmax: 400 nm (2nd); 0.01 at 254 nm
• 吸光度: 0.10 at 225 nm; 0.40 at 210 nm; 1.0 at 197 nm
• application(s): food and beverages
• 环保替代产品分类: Aligned
• SMILES string: CCCCCCC
• InChI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
• InChI key: IMNFDUFMRHMDMM-UHFFFAOYSA-N

说明

一般描述

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. Heptane is an environmentally preferable solvent and greener alternative to hexane for chromatographic purification and thus has been enhanced for "Safer Solvents and Auxiliaries". Click here for more information.
Tools and techniques for solvent selection: green solvent selection guides.

Heptane (n-Heptane) is a primary reference fuel (PRF) for the rating of octane numbers of fuels in internal combustion engines. Its cetane number has been reported to be 56. Mechanism and kinetic studies of its oxidation in flow reactors, shock tubes and rapid compression machines have been proposed. Its thermal decomposition has been studied under different conditions of temperature and pressure. Its oxidative dehydrogenation in the presence of magnesium oxide supported vanadium catalyst has been investigated. Molybdenum phosphide supported on Hβ zeolite (MoP/Hβ) catalyzed hydroisomerization of n-heptane has been reported to be enhanced by doping with secondary metals (Cr, Ni or Ce).

应用

Greener alternatives to Hexane in HPLC.

Heptane (n-heptane) may be used:

• To compose the solvent mixtures for the purification of N-acylpyrrolidine derivatives of fatty acid methyl esters (FAMEs) by TLC (Thin Layer Chromatography).
• To generate chiral alcohols and heptanones, via whole cell double oxidation.
• As a solvent in the synthesis of isopropyl acetate, via esterification of acetic acid with isopropyl alcohol catalyzed by lipase immobilized on silica.

特点和优势

Greener alternative for hexane

其他说明

What is a green solvent? A comprehensive framework for the environmental assessment of solvents

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安全信息

• 象形图: GHS02,GHS07,GHS08,GHS09
• 警示用语：: Danger
• 危险声明: H225 - H304 - H315 - H336 - H410
• 预防措施声明: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• 危险分类: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• 靶器官: Central nervous system
• 储存分类代码: 3 - Flammable liquids
• WGK: WGK 2
• 闪点(F): 24.8 °F
• 闪点(C): -4 °C