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95446

Supelco

1-Octanol

analytical standard

Synonym(s):

Alcohol C8, Capryl alcohol, Octyl alcohol

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About This Item

Linear Formula:
CH3(CH2)7OH
CAS Number:
111-87-5
Molecular Weight:
130.23
Beilstein/REAXYS Number:
1697461
EC Number:
203-917-6
MDL number:
MFCD00002988
UNSPSC Code:
41116107
PubChem Substance ID:
329770461

grade

analytical standard

Quality Level

100

vapor density

4.5 (vs air)

vapor pressure

0.14 mmHg ( 25 °C)

assay

≥99.7% (GC)

autoignition temp.

523 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.429 (lit.)
n20/D 1.429

bp

196 °C (lit.)

mp

−15 °C (lit.)

density

0.827 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

CCCCCCCCO

InChI

1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChI key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

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Related Categories

General description

1-Octanol is saturated fatty alcohol with potential application as a biofuel due to its diesel-like properties.
1-Octanol may be used in combination with methanol as the mobile phase, to obtain a lipophilicity index for a set of complex molecules, using reversed phase high performance liquid chromatography method (RP-HPLC).
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Application

1-Octanol may be used as an extraction solvent in the determination of ochratoxin A and neonicotinoid insecticide residues, wine samples, honey samples, and tea samples using chromatography techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Biochem/physiol Actions

Blocks T-type Ca2+ channels

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 3 - Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

187.7 °F

flash_point_c

86.5 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number

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Sigma-Aldrich

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In-coupled syringe assisted octanol?water partition microextraction coupled with high-performance liquid chromatography for simultaneous determination of neonicotinoid insecticide residues in honey
Vichapong J, et al.
Talanta, 139(2), 21-26 (2015)
Dynamic hollow fiber protected liquid phase microextraction and quantification using gas chromatography combined with electron capture detection of organochlorine pesticides in green tea leaves and ready-to-drink tea
Huang P-S and Huang D-S
Journal of Chromatography A, 1135(1), 6-11 (2006)
Determination of lipophilicity by reversed-phase high-performance liquid chromatography: Influence of 1-octanol in the mobile phase
Liu X, et al.
Journal of Chromatography A, 1091(1), 51-59 (2005)
D Southwell et al.
The Journal of investigative dermatology, 80(6), 507-514 (1983-06-01)
Penetration-enhancing solvents may modify diffusional routes through the stratum corneum and the partitioning of drugs into these pathways. To investigate the mechanisms of action of enhancers, steady-state fluxes were measured in vitro for polar methanol, nonpolar octanol, and an intermediate
John A Arnott et al.
Expert opinion on drug discovery, 7(10), 863-875 (2012-09-21)
The role of lipophilicity in drug discovery and design is a critical one. Lipophilicity is a key physicochemical property that plays a crucial role in determining ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties and the overall suitability of drug
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