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19600

Butylbenzene

analytical standard

Synonym(s):

1-Phenylbutane

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Pack SizeSKUAvailabilityPrice
10 mL
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$233.00

About This Item

Linear Formula:
C6H5(CH2)3CH3
CAS Number:
Molecular Weight:
134.22
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
203-209-7
Beilstein/REAXYS Number:
1903395
MDL number:

$233.00


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grade

analytical standard

Quality Level

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

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

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.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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8.20239B9020382118
technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

-

technique(s)

-

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

environmental

application(s)

-

application(s)

-

application(s)

environmental

format

neat

format

-

format

-

format

neat

Quality Level

100

Quality Level

200

Quality Level

100

Quality Level

100

grade

analytical standard

grade

-

grade

-

grade

analytical standard

assay

≥99.8% (GC)

assay

≥98.0% (GC)

assay

≥99%

assay

≥99.0% (GC)


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pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

Storage Class

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



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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)
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



Global Trade Item Number

SKUGTIN
19600-10ML04061838761880
19600-5ML04061836957346

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