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39730

Supelco

2,2-Dimethylbutane

analytical standard

Synonym(s):

Neohexane

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About This Item

Linear Formula:
CH3CH2C(CH3)3
CAS Number:
75-83-2
Molecular Weight:
86.18
Beilstein:
1730736
EC Number:
200-906-8
MDL number:
MFCD00009321
UNSPSC Code:
41116107
PubChem Substance ID:
329755897
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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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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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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

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Certificates of Analysis (COA)

Lot/Batch Number

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8.18769

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257508

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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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