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Merck

95446

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
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329770461
EC Number:
203-917-6
Beilstein/REAXYS Number:
1697461
MDL number:
MFCD00002988

Key Documents

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InChI key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCCCCO

grade

analytical standard

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

Quality Level

100

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Related Categories

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

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

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

187.7 °F

flash_point_c

86.5 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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 I Designated Chemical Substances

prtr

Group 4: Flammable liquids + Type 3 petroleums + Hazardous rank III + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

95446-VAR-F: + 95446-BULK-F: + 95446-1ML-F: + 95446-5ML-F:

jan

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF8068
BCCB3956
BCBT3395
BCBW7788
BCBT1884

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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
View All Related Papers

Protocols

GC Analysis of Sweet Orange Essential Oil on SLB®-5ms (10 m x 0.10 mm I.D., 0.10 µm), Fast GC Analysis

GC Analysis of Sweet Orange Essential Oil on SLB®-5ms (10 m x 0.10 mm I.D., 0.10 μm), Fast GC Analysis

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