19600
丁基苯
analytical standard
别名:
1-苯基丁烷
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线性分子式:
C6H5(CH2)3CH3
化学文摘社编号:
分子量:
134.22
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
203-209-7
Beilstein/REAXYS Number:
1903395
MDL number:
产品名称
丁基苯, analytical standard
InChI key
OCKPCBLVNKHBMX-UHFFFAOYSA-N
InChI
1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
SMILES string
CCCCc1ccccc1
grade
analytical standard
vapor density
>1 (vs air)
vapor pressure
1.03 mmHg ( 23 °C)
assay
≥99.8% (GC)
autoignition temp.
774 °F
shelf life
limited shelf life, expiry date on the label
expl. lim.
5.8 %
technique(s)
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.)
application(s)
environmental
format
neat
Quality Level
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Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
General description
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.
signalword
Warning
hcodes
Hazard Classifications
Flam. Liq. 3
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
138.2 °F - closed cup
flash_point_c
59.0 °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
Technology and Engineering
Groundwater Chemicals Desk Reference, 177-178 (2010)
Technology and Engineering
Montgomery, John H.
Groundwater Chemicals Desk Reference, 14-Dec, 177-178 (2010)
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
Hiroyuki Izumi et al.
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)
Kanji Yamasaki et al.
Archives of toxicology, 75(11-12), 703-706 (2002-03-06)
We performed the uterotrophic and Hershberger assays proposed by the OECD to investigate the estrogenic and androgenic effects of n-butylbenzene (nBB). For the uterotrophic assay, nBB was injected subcutaneously at doses of 0, 40, 200, 1000 and 2000 mg/kg to
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