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Sigma-Aldrich

Octane

reagent grade, 98%

Synonym(s):

n-Octane

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100 ML
$76.70
500 ML
$212.00
1 L
$393.00

About This Item

Linear Formula:
CH3(CH2)6CH3
CAS Number:
111-65-9
Molecular Weight:
114.23
Beilstein/REAXYS Number:
1696875
EC Number:
203-892-1
MDL number:
MFCD00009556
UNSPSC Code:
12352100
PubChem Substance ID:
329756072
NACRES:
NA.21
grade:
reagent grade
assay:
98%
bp:
125-127 °C (lit.)
vapor pressure:
11 mmHg ( 20 °C)

$76.70

Available to ship onMay 02, 2025Details

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grade

reagent grade

Quality Level

200

vapor density

3.9 (vs air)

vapor pressure

11 mmHg ( 20 °C)

assay

98%

form

liquid

autoignition temp.

428 °F

expl. lim.

6.5 %

dilution

(for analytical testing)

refractive index

n20/D 1.398 (lit.)

bp

125-127 °C (lit.)

mp

−57 °C (lit.)

density

0.703 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCC

InChI

1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

InChI key

TVMXDCGIABBOFY-UHFFFAOYSA-N

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General description

Octane is an aliphatic hydrocarbon that is widely used as a solvent in paint, adhesives, and liquid process photocopiers.

Application

Octane can be used as a solvent in the:
  • Selective hydrogenation of furfural.
  • Metal-free oxidation of aromatic thiophenes to sulfones.
  • Ni-catalyzed β-alkylation of alcohols.
  • Enzyme-catalyzed epoxidation of unconjugated terminal alkenes.

signalword

Danger

Hazard Classifications

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

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

55.4 °F - closed cup

flash_point_c

13 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB3459
SDBB1042
STBL3576
STBL2908
STBL1835

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Adsorption equilibrium and kinetics of dibenzothiophene from n-octane on bamboo charcoal.
Zhao D, et al.
Applied Surface Science, 254(10), 3242-3247 (2008)
Catalytic cracking of n-octane over alkali-treated MFI zeolites.
Jung JS, et al.
Applied Catalysis A: General, 288(1), 149-157 (2005)
A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane.
Westbrook CK, et al.
Combustion and Flame, 156(1), 181-199 (2009)
Heat capacities and densities of liquid n-octane, n-nonane, n-decane, and n-hexadecane at temperatures from 318.15 K to 373.15 K and at pressures up to 10 MPa.
Banipal TS, et al.
The Journal of Chemical Thermodynamics, 23(10), 923-931 (1991)
Effective production of octane from biomass derivatives under mild conditions.
Xu W, et al.
ChemSusChem, 4(12), 1758-1761 (2011)
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Questions

1–2 of 2 Questions  

  1. 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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  2. 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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