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412236

Octane

reagent grade, 98%

Synonym(s):

n-Octane

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About This Item

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

reagent grade

Quality Segment

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

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.

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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

WGK 2

flash_point_f

55.4 °F - closed cup

flash_point_c

13 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Class II Designated Chemical Substances

prtr

Group 4: Flammable liquids + Type 1 petroleums + Hazardous rank II + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

412236-500ML:4.548173940328E12 + 412236-1L:4.548173922621E12 + 412236-100ML:4.548173940311E12

jan

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