MilliporeSigma
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39730

Supelco

2,2-Dimethylbutane

analytical standard

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Synonym(s):
Neohexane
Linear Formula:
CH3CH2C(CH3)3
CAS Number:
Molecular Weight:
86.18
Beilstein:
1730736
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

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 (lit.)
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

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1 of 4

This Item
397606831059060
2,2-Dimethylbutane analytical standard

Supelco

39730

2,2-Dimethylbutane

2,3-Dimethylbutane analytical standard

Supelco

39760

2,3-Dimethylbutane

2-Methylpentane analytical standard

Supelco

68310

2-Methylpentane

2-Methylbutane analytical standard

Supelco

59060

2-Methylbutane

application(s)

petroleum

application(s)

petroleum

application(s)

petroleum

application(s)

petroleum

format

neat

format

neat

format

neat

format

neat

vapor density

2.97 (vs air)

vapor density

3 (vs air)

vapor density

3 (vs air)

vapor density

2.6 (vs air)

vapor pressure

5.35 psi ( 20 °C)

vapor pressure

4.54 psi ( 25.0 °C)(lit.)

vapor pressure

6.77 psi ( 37.7 °C)

vapor pressure

11.17 psi ( 20 °C)

assay

≥98.0%

assay

≥99.5% (GC)

assay

≥99.5% (GC)

assay

≥99.7% (GC)

Application

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

Recommended products

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.

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-20.2 °F - closed cup

Flash Point(C)

-29 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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T1503
Product Number
-
25G
Pack Size/Quantity

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705578-5MG-PW

PL860-CGA/SHF-1EA

MMYOMAG-74K-13

1000309185

enter as 1.000309185)

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Sigma-Aldrich

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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

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