M49801
3-甲基己烷
99%
别名:
2-乙基戊烷, （±）-3-甲基己烷
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关于此项目
线性分子式:
CH3CH2CH2CH(CH3)CH2CH3
化学文摘社编号:
分子量:
100.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
209-643-3
Beilstein/REAXYS Number:
1718739
MDL number:
产品名称
3-甲基己烷, 99%
InChI key
VLJXXKKOSFGPHI-UHFFFAOYSA-N
InChI
1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
SMILES string
CCCC(C)CC
vapor pressure
2.13 psi ( 37.7 °C)
assay
99%
form
liquid
autoignition temp.
536 °F
expl. lim.
~7 %
refractive index
n20/D 1.388 (lit.)
bp
91 °C (lit.)
mp
−119 °C (lit.)
density
0.687 g/mL at 25 °C (lit.)
Quality Level
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Application
3-甲基己烷可以用作模型烷烃来研究：
- 低温下Cu催化的简单烷烃在水介质中氢羧化为相应的支链单羧酸。
- 在乙腈中Au催化的烷烃与H2O2的氧合。
- FeCI3催化的简单烷烃在大气中的氧气存在下光氧合生成相应的醇。
3-甲基己烷是庚烷的异构体之一。它可以用作Pt/WZA催化剂合成二甲基异构体（二甲基戊烷）的反应物。
signalword
Danger
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Central nervous system
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
30.2 °F - closed cup
flash_point_c
-1 °C - closed cup
法规信息
危险化学品
此项目有
Iron (III) chloride catalysed photooxygenation of alcohol solutions of alkanes by atmospheric oxygen
Shul?pin GB and Druzhinina AN
Mendeleev Communications, 2(1), 36-37 (1992)
Alumina-doped Pt/WOx/ZrO2 catalysts for n-heptane isomerization
Hua W and Sommer J
Applied Catalysis A: General, 232(1-2), 129-135 (2002)
Alkane oxygenation catalysed by gold complexes
Shul'pin GB, et al.
Tetrahedron Letters, 42(41), 7253-7256 (2001)
Mild, single-pot hydrocarboxylation of linear C5-C9 alkanes into branched monocarboxylic C6-C10 acids in copper-catalyzed aqueous systems
Kirillova MV, et al.
Applied Catalysis A: General, 401(1-2), 106-113 (2011)
The influence of fuel structure on combustion as demonstrated by the isomers of heptane: a rapid compression machine study.
Silke EJ, et al.
Proceedings of the Combustion Institute, 30(2), 2639-2647 (2005)
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