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296988

Octane

anhydrous, ≥99%

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:
12352001
NACRES:
NA.21
PubChem Substance ID:
57648395
EC Number:
203-892-1
Beilstein/REAXYS Number:
1696875
MDL number:
MFCD00009556
Assay:
≥99%
Grade:
anhydrous
Bp:
125-127 °C (lit.)
Vapor pressure:
11 mmHg ( 20 °C)
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grade

anhydrous

Quality Segment

vapor density

3.9 (vs air)

vapor pressure

11 mmHg ( 20 °C)

assay

≥99%

form

liquid

autoignition temp.

428 °F

expl. lim.

6.5 %

impurities

<0.002% water, <0.005% water (100 mL pkg)

evapn. residue

<0.0003%

refractive index

n20/D 1.398 (lit.)

bp

125-127 °C (lit.)

mp

−57 °C (lit.)

solubility

ethanol: soluble(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

Our anhydrous solvents deliver exceptionally low water content, making them the ideal choice for moisture-sensitive laboratory applications. Packaged in the exclusive Sure/Seal™ septum bottle system, they are reliably protected against moisture ingress from first use to last drop. The innovative Sure/Seal™ closure combines an advanced plug-style liner with an airtight elastomer and crimp cap design to ensure consistent product integrity. Three unique liner materials provide optimal chemical compatibility across a broad range of solvents. Sure/Seal™ packaging is proven to maintain anhydrous conditions even after repeated punctures. With more than 70 products across all major solvent families, available in pack sizes from 100 mL to 2 L, the portfolio meets virtually every laboratory need. By choosing ready-to-use anhydrous solvents in Sure/Seal™ packaging, researchers eliminate the need for time-consuming and hazardous in-house solvent drying and distillation - saving time, reducing risk, and improving reproducibility.

Application

Anhydrous solvents in Sure/Seal™ packaging are essential wherever water contamination would compromise experimental results. They are widely used in moisture-sensitive applications such as organic synthesis - including Grignard reactions, organometallic chemistry, and catalysis - as well as in peptide, oligonucleotide, and pharmaceutical synthesis.

Packaging

View returnable container options.

Other Notes

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.

Legal Information

Sure/Seal is a trademark of Sigma-Aldrich Co. LLC
Pure-Pac is a registered trademark of Merck KGaA, Darmstadt, Germany

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Signal Word

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

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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