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Merck
CN

471402

1-Hexanol

anhydrous, ≥99%

Synonym(s):

Hexyl alcohol

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About This Item

Linear Formula:
CH3(CH2)5OH
CAS Number:
111-27-3
Molecular Weight:
102.17
UNSPSC Code:
12352001
NACRES:
NA.21
PubChem Substance ID:
57650899
EC Number:
203-852-3
Beilstein/REAXYS Number:
969167
MDL number:
MFCD00002982
Grade:
anhydrous
Assay:
≥99%
Bp:
156-157 °C (lit.)
Vapor pressure:
1 mmHg ( 25.6 °C)

Key Documents

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Product Name

1-Hexanol, anhydrous, ≥99%

InChI key

ZSIAUFGUXNUGDI-UHFFFAOYSA-N

InChI

1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

SMILES string

CCCCCCO

grade

anhydrous

vapor density

4.5 (vs air)

vapor pressure

1 mmHg ( 25.6 °C)

assay

≥99%

form

liquid

autoignition temp.

559 °F

expl. lim.

0.34-6.3 %

impurities

<0.005% water

evapn. residue

<0.0005%

refractive index

n20/D 1.418 (lit.)

bp

156-157 °C (lit.)

mp

−52 °C (lit.)

density

0.814 g/mL at 25 °C (lit.)

Quality Level

100

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General description

1-Hexanol is produced from coconut oil and palm oils. It is used in the production of antiseptics, fragrances and perfumes. 1-Hexanol is also used as a solvent in the production of plasticizers.
1-Hexanol is a linear primary alcohol. It is formed as an intermediate during the catalytic transformation of cellulose. The ability of 1,1,3,3-tetramethylguanidine (TMG) in 1-hexanol solvent system to capture carbon dioxide has been assessed. The solubility of light fullerenes in 1-hexanol as a function of temperature and pressure was studied.

Application

1-Hexanol has been used as an odorant to study olfactory responses and to thin the dielectric layer of poly(4-vinylphenol) (PVP).

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

140.0 °F - closed cup

flash_point_c

60 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBS8693
SHBR4302
SHBR0579
SHBP1688
SHBN9913

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A 4-dimensional representation of antennal lobe output based on an ensemble of characterized projection neurons
Staudacher EM, et al.
Journal of Neuroscience Methods, 180(2), 208-223 (2009)
Patty's Toxicology (2012)
Direct catalytic conversion of cellulose to liquid straight-chain alkanes.
de Beeck BO, et al.
Energy & Environmental Science, 8(1), 230-240 (2015)
Pressure dependence of the solubility of light fullerenes in 1-hexanol from 298.15 K to 363.15 K.
Semenov KN, et al.
Journal of Molecular Liquids, 209, 71-76 (2015)
Kinetics of carbon dioxide binding by 1,1,3,3-tetramethylguanidine in 1-hexanol.
Ozturk MC, et al.
International Journal of Greenhouse Gas Control, 26, 76-82 (2014)
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