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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
Beilstein:
969167
EC Number:
203-852-3
MDL number:
MFCD00002982
UNSPSC Code:
12352001
PubChem Substance ID:
57650899
NACRES:
NA.21
Grade:
anhydrous
Assay:
≥99%
Bp:
156-157 °C (lit.)
Vapor pressure:
1 mmHg ( 25.6 °C)

Key Documents

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grade

anhydrous

Quality Level

100

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.)

SMILES string

CCCCCCO

InChI

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

InChI key

ZSIAUFGUXNUGDI-UHFFFAOYSA-N

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General description

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.
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.

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

Signal Word

Warning

Hazard Statements

H226,H302 + H312,H319

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

140.0 °F - closed cup

Flash Point(C)

60 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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Patty's Toxicology (2012)
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)
Shalene Xue Lin Goh et al.
Analytica chimica acta, 1035, 77-86 (2018-09-19)
A novel fully automated liquid-phase microextraction (LPME) procedure making use of a conical polypropylene membrane bag to hold the solvent, coupled with ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) with positive electrospray ionisation was developed to determine glucocorticoids (including cortisol
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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