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Merck
CN

8.20931

1-Octanol

for synthesis

Synonym(s):

1-Octanol, n-Octyl alcohol

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About This Item

Linear Formula:
CH3(CH2)7OH
CAS Number:
Molecular Weight:
130.23
UNSPSC Code:
12352104
EC Index Number:
203-917-6
NACRES:
NA.22
MDL number:
Grade:
synthesis grade
Assay:
≥99% (GC)
Bp:
195 °C/1013 hPa
Vapor pressure:
0.031 hPa ( 20 °C)
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Product Name

1-Octanol, for synthesis

SMILES string

OCCCCCCCC

InChI

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

InChI key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

grade

synthesis grade

vapor pressure

0.031 hPa ( 20 °C)

assay

≥99% (GC)

form

liquid

autoignition temp.

270 °C

potency

>5000 mg/kg LD50, oral (Rat)
>2000 mg/kg LD50, skin (Rabbit)

expl. lim.

0.8 % (v/v)

dilution

(for synthesis)

kinematic viscosity

5.6 cSt(40 °C)

bp

195 °C/1013 hPa

transition temp

flash point 86 °C

solubility

0.43 g/L (External MSDS)

density

0.83 g/cm3 at 20 °C

storage temp.

2-30°C

Quality Level

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.824 - 0.826
Identity (IR): passes test

Application

1-Octanol can be used as a reactant to synthesize:
  • Octenes via dehydration.
  • Esters via esterification with carboxylic acids.

pictograms

Exclamation mark

signalword

Warning

hcodes

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


Certificates of Analysis (COA)

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Intensification of esterification through emulsification: isolation of dilute low molecular weight carboxylic acids
Toth A, et al.
Reaction Chemistry & Engineering, 3, 905-911 (2018)
Activity and stability of Mo2C/ZrO2 as catalyst for hydrodeoxygenation of mixtures of phenol and 1-octanol
Mortensen P, et al.
J. Catal., 328, 208-215 (2015)

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