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线性分子式:
CH3(CH2)3CH(CH3)2
化学文摘社编号:
分子量:
100.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
209-730-6
Beilstein/REAXYS Number:
1696856
MDL number:
Assay:
99%
Form:
liquid
assay
99%
form
liquid
InChI key
GXDHCNNESPLIKD-UHFFFAOYSA-N
InChI
1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
SMILES string
CCCCC(C)C
vapor pressure
2.27 psi ( 37.7 °C)
autoignition temp.
536 °F
expl. lim.
~7 %
refractive index
n20/D 1.384 (lit.)
bp
90 °C (lit.)
mp
−118 °C (lit.)
density
0.679 g/mL at 25 °C (lit.)
Quality Level
Application
2-甲基己烷主要用作模型异烷烃,用于与异烷烃氧化、庚烷异构体的汽液相平衡和催化裂化有关的研究。
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
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
The influence of reaction temperature on the cracking mechanism of 2-methylhexane
Bamwenda GR, et al.
J. Catal., 148(2), 595-606 (1994)
2-Methylhexane cracking on Y zeolites: Catalytic cycles and reaction selectivity
Yaluris G, et al.
J. Catal., 165(2), 205-220 (1997)
Iso-alkane oxidation by aPseudomonas Part I.?Metabolism of 2-methylhexane
Thijsse GJE and Van der Linden AC
Antonie van Leeuwenhoek, 27(1), 171-179 (1961)
Intermolecular potentials for branched alkanes and the vapour-liquid phase equilibria of n-heptane, 2-methylhexane, and 3-ethylpentane
Ilja Siepmann BJ and Martin MG
Molecular Physics, 90(5), 687-694 (1997)
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
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