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Merck

04050

2-Ethyl-1-hexanol

puriss., ≥99.0% (GC)

Synonym(s):

Isooctyl alcohol

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About This Item

Linear Formula:
CH3(CH2)3CH(C2H5)CH2OH
CAS Number:
104-76-7
Molecular Weight:
130.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
329747861
EC Number:
203-234-3
Beilstein/REAXYS Number:
1719280
MDL number:
MFCD00004746
assay:
≥99.0% (GC)
technique(s):
GC/GC: suitable
bp:
183-186 °C (lit.)
vapor pressure:
0.2 mmHg ( 20 °C)

Product Name

2-Ethyl-1-hexanol, puriss., ≥99.0% (GC)

InChI

1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

InChI key

YIWUKEYIRIRTPP-UHFFFAOYSA-N

SMILES string

CCCCC(CC)CO

vapor density

4.49 (vs air)

vapor pressure

0.2 mmHg ( 20 °C)

grade

puriss.

assay

≥99.0% (GC)

form

liquid

autoignition temp.

550 °F

expl. lim.

0.88 %, 104 °F
9.7 %, 113 °F

technique(s)

GC/GC: suitable

refractive index

n20/D 1.431 (lit.)
n20/D 1.431

bp

183-186 °C (lit.)

mp

−76 °C (lit.)

density

0.833 g/mL at 25 °C (lit.)

functional group

hydroxyl

Quality Level

200

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Application

  • 2-Ethyl-1-hexanol is widely used in the synthesis of bis(2-ethylhexyl) phthalate (DEHP), a well-known plasticizer.
  • It can be used in the ring-opening alcoholysis of epoxidized vegetable ois to prepare bio-lubricants with low pour point.
  • It is employed as an organic solvent for applications such as post-synthetic modification of metal-organic frameworks (MOFs) and esterification reaction of triphenylenes to synthesize liquid crystals.
  • It can also be used as a solvent and in the preparation of nanocrystalline titania thin films by screen printing.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

167.0 °F - closed cup

flash_point_c

75 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCP0912
BCCN5381
BCCM8999
BCCL6396
BCCJ2117

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Esterification of phthalic anhydride with 1-butanol and 2-ethylhexanol catalyzed by heteropolyacids.
Arabi M, et al.
J. Mol. Catal. A: Chem., 200(1-2), 105-110 (2003)
Green approach for the preparation of biodegradable lubricant base stock from epoxidized vegetable oil.
Lathi P S and Mattiasson B
Applied Catalysis. B, Environmental, 69(3-4), 207-212 (2007)
2-Ethyl-1-hexanol based screen-printed titania thin films for dye-sensitized solar cells.
Tsoukleris D S, et al.
Solar Energy, 79(4), 422-430 (2005)
An Efficient Route to Stable Room?Temperature Liquid?Crystalline Triphenylenes.
Bock H, et al.
European Journal of Organic Chemistry, 2006(13), 2889-2893 (2006)
Metal?organic frameworks with precisely designed interior for carbon dioxide capture in the presence of water.
Fracaroli A M, et al.
Journal of the American Chemical Society, 136(25), 8863-8866 (2014)
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