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178918

Sigma-Aldrich

Hexane, mixture of isomers

≥98.5%, ACS reagent

Synonym(s):

Hexanes, Isohexane

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About This Item

Empirical Formula (Hill Notation):
C6H14
CAS Number:
107-83-5
Molecular Weight:
86.18
Beilstein:
1730733
MDL number:
MFCD02179311
UNSPSC Code:
12191502
PubChem Substance ID:
24850778
NACRES:
NA.21
grade:
ACS reagent
bp:
68-70 °C (lit.)
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Product Name

Hexane, mixture of isomers, ACS reagent, ≥98.5%

grade

ACS reagent

Quality Level

200

vapor density

3 (vs air)

description

Mixture of hexane isomers plus methylcyclopentane

Assay

≥98.5%

form

liquid

autoignition temp.

437 °F

expl. lim.

7.5 %

dilution

(for analytical testing)

impurities

thiophene, passes test
≤0.0003 meq/g water-soluble titr. acid
≤0.005% S compounds

evapn. residue

≤0.0010%

color

APHA: ≤10

refractive index

n20/D 1.379 (lit.)

bp

68-70 °C (lit.)

mp

−95 °C (lit.)

density

0.672 g/mL at 25 °C (lit.)

SMILES string

C(CCC)(C)C

InChI

1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3

InChI key

AFABGHUZZDYHJO-UHFFFAOYSA-N

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General description

The product is a mixture of hexane isomers and methylcyclopentane. Hexane (mixture of isomers) can be isolated from petroleum by distillation or by cracking. They form major constituents of petroleum ether. It is a non-renewable organic solvent mainly used for the dissolution and extraction of oils and fats.[1] Separation of the isomeric forms of hexane on the basis of degree of branching using Fe2(BDP)3 (BDP2- = 1,4-benzenedipyrazolate) has been reported.[2]

Application

Hexane (n-hexane) has been used in the preparation of precursor required for the synthesis of chiral stationary phase (IMPCSP). IMPCSP was employed for the enantioseparation of racemic drugs by high-performance liquid chromatography (HPLC) and supercritical fluid chromatography (SFC).[3] It may be used as a carrier phase for microfluidic devices.[4]

Signal Word

Danger

Hazard Classifications

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

Target Organs

Central nervous system, Nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-9.4 °F

Flash Point(C)

-23 °C

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS5888
SHBS4826
MKCW6156
SHBS3928
SHBR4867

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Copolymerization preparation of cationic cyclodextrin chiral stationary phases for drug enantioseparation in chromatography.
Wang RQ, et al.
Scientific Protocols null
Alternative bio-based solvents for extraction of fat and oils: solubility prediction, global yield, extraction kinetics, chemical composition and cost of manufacturing.
Sicaire A-G, et al.
International Journal of Molecular Sciences, 16(4), 8430-8453 (2015)
Solving the Clogging Problem: Precipitate-Forming Reactions in Flow.
Poe SL, et al.
Angewandte Chemie (International Edition in English), 45(10), 1544-1548 (2006)
Separation of hexane isomers in a metal-organic framework with triangular channels.
Herm ZR, et al.
Science, 340(6135), 960-964 (2013)
Eagleson M.
Concise Encyclopedia Chemistry, 492-492 (1994)
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Questions

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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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