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等級
analytical standard
品質等級
蒸汽密度
>1 (vs air)
蒸汽壓力
1.03 mmHg ( 23 °C)
化驗
≥99.8% (GC)
自燃溫度
774 °F
儲存期限
limited shelf life, expiry date on the label
expl. lim.
5.8 %
技術
HPLC: suitable
gas chromatography (GC): suitable
折射率
n20/D 1.489 (lit.)
n20/D 1.490
bp
183 °C (lit.)
mp
−88 °C (lit.)
密度
0.86 g/mL at 25 °C (lit.)
應用
environmental
格式
neat
SMILES 字串
CCCCc1ccccc1
InChI
1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChI 密鑰
OCKPCBLVNKHBMX-UHFFFAOYSA-N
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一般說明
Butylbenzene is a colourless organic solvent. It is used in pesticide manufacturing, plasticizer and also as solvent for coating. It is sometimes used as surface active agent, polymer linking agent and in organic synthesis.
應用
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
訊號詞
Warning
危險聲明
危險分類
Flam. Liq. 3
儲存類別代碼
3 - Flammable liquids
水污染物質分類（WGK）
WGK 3
閃點（°F）
138.2 °F - closed cup
閃點（°C）
59.0 °C - closed cup
個人防護裝備
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Technology and Engineering
Montgomery, John H.
Groundwater Chemicals Desk Reference, 14-Dec, 177-178 (2010)
Technology and Engineering
Groundwater Chemicals Desk Reference, 177-178 (2010)
M Takeshita et al.
Research communications in molecular pathology and pharmacology, 89(3), 351-356 (1995-09-01)
Regio- and stereo-selective oxidation of butylbenzene (1) has been examined in vitro by rat liver supernatant fraction(S-9). When phenylbutane (1 ) was incubated at 37 degrees C for 1 hr with S-9, asymmetric oxidation occurred regioselectively at benzylic and omega-1
Stéphanie Halbert et al.
Journal of computational chemistry, 32(8), 1550-1560 (2011-02-18)
Conformational landscape of neutral and ionized n-butylbenzene has been examined. Geometries have been optimized at the B3LYP/6-31G(d), B3LYP/6-31+G(d,p), B3LYP-D/6-31+G(d,p), B2PLYP/6-31+G(d,p), B2PLYP-D/6-31+G(d,p), B97-D/6-31+G(d,p), and M06-2X/6-31+G(d,p) levels. This study is complemented by energy computations using 6-311++G(3df,2p) basis set and CBS-QB3 and G3MP2B3
Stéphanie Halbert et al.
The journal of physical chemistry. A, 116(4), 1307-1315 (2012-01-11)
Fragmentation mechanisms of ionized butylbenzene to give m/z 91 and m/z 92 fragment ions have been examined at the G3B3 and G3MP2B3 levels of theory. It is shown that the energetically favored pathways lead to tropylium, Tr(+), and methylene-2,4-cyclohexadiene, MCD(•+)
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