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39730

2,2-Dimethylbutane

analytical standard

Synonym(s):

Neohexane

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About This Item

Linear Formula:
CH3CH2C(CH3)3
CAS Number:
Molecular Weight:
86.18
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
200-906-8
Beilstein/REAXYS Number:
1730736
MDL number:
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grade

analytical standard

Quality Level

vapor density

2.97 (vs air)

vapor pressure

5.35 psi ( 20 °C)

assay

≥98.0%

autoignition temp.

797 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

~7.7 %

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.369

bp

50 °C (lit.)

mp

−100 °C (lit.)

density

0.649 g/mL at 25 °C (lit.)

application(s)

petroleum

format

neat

SMILES string

CCC(C)(C)C

InChI

1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3

InChI key

HNRMPXKDFBEGFZ-UHFFFAOYSA-N

Application

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

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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This Item
397606831059060
application(s)

petroleum

application(s)

petroleum

application(s)

petroleum

application(s)

petroleum

format

neat

format

neat

format

neat

format

neat

grade

analytical standard

grade

analytical standard

grade

analytical standard

grade

analytical standard

autoignition temp.

797 °F

autoignition temp.

788 °F

autoignition temp.

583 °F

autoignition temp.

788 °F

shelf life

limited shelf life, expiry date on the label

shelf life

limited shelf life, expiry date on the label

shelf life

limited shelf life, expiry date on the label

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable


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signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-20.2 °F - closed cup

flash_point_c

-29 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves



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Michael H Abraham et al.
European journal of medicinal chemistry, 43(3), 478-485 (2007-06-05)
Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a correlation with R(2)=0.968 and S.D.=0.25 log units. Combination



Global Trade Item Number

SKUGTIN
39730-5ML04061831983555
39730-10ML04061831983548

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