추천 제품
Grade
analytical standard
Quality Level
vapor density
>1 (vs air)
vapor pressure
1.03 mmHg ( 23 °C)
분석
≥99.8% (GC)
autoignition temp.
774 °F
유통기한
limited shelf life, expiry date on the label
expl. lim.
5.8 %
기술
HPLC: suitable
gas chromatography (GC): suitable
refractive index
n20/D 1.489 (lit.)
n20/D 1.490
bp
183 °C (lit.)
mp
−88 °C (lit.)
density
0.86 g/mL at 25 °C (lit.)
응용 분야
environmental
형식
neat
SMILES string
CCCCc1ccccc1
InChI
1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChI key
OCKPCBLVNKHBMX-UHFFFAOYSA-N
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일반 설명
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.
애플리케이션
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
신호어
Warning
유해 및 위험 성명서
예방조치 성명서
Hazard Classifications
Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point (°F)
138.2 °F - closed cup
Flash Point (°C)
59.0 °C - closed cup
개인 보호 장비
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Technology and Engineering
Groundwater Chemicals Desk Reference, 14-Dec, 177-178 (2010)
Technology and Engineering
Groundwater Chemicals Desk Reference, 177-178 (2010)
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
The Journal of toxicological sciences, 30 Spec No., 21-38 (2006-04-28)
N-butylbenzene (n-BB), which is suspected of having endocrine disrupting effects, was administered orally by gavage at dose levels of 0, 30, 100, and 300 mg/kg/day to groups of Crj: CD (SD) IGS rats (24 males and 24 females per group)
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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