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Merck
CN

52828

1-Hexanol

ReagentPlus®, ≥99.5% (GC)

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:
12352100
PubChem Substance ID:
57651384
NACRES:
NA.22

Key Documents

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vapor density

4.5 (vs air)

Quality Level

100

vapor pressure

1 mmHg ( 25.6 °C)

product line

ReagentPlus®

Assay

≥99.5% (GC)

autoignition temp.

559 °F

refractive index

n20/D 1.418 (lit.)
n20/D 1.418

bp

156-157 °C (lit.)

mp

−52 °C (lit.)

density

0.814 g/mL at 25 °C (lit.)

functional group

hydroxyl

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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Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

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
BCCN3730
BCCH3945
BCCC6617
062470/2
062470/1

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Carolina Aubery et al.
Langmuir : the ACS journal of surfaces and colloids, 29(6), 1779-1789 (2013-01-12)
Phase behavior, dynamics, and structure of W/O microemulsions of the system aqueous solution/Synperonic 13_6.5/1-hexanol/isooctane were studied, with the goal of determining their effect on Mn-Zn ferrite nanoparticle formation, kinetics and characteristics. Microemulsion structure and dynamics were studied systematically by conductivity
Hidevaldo B Machado et al.
Metabolic engineering, 14(5), 504-511 (2012-07-24)
Production of green chemicals and fuels using metabolically engineered organisms has been a promising alternative to petroleum-based production. Higher chain alcohols (C4-C8) are of interest because they can be used as chemical feedstock as well as fuels. Recently, the feasibility
Tomoko Komatsu et al.
Pflugers Archiv : European journal of physiology, 463(4), 549-559 (2012-01-10)
Transient receptor potential ankyrin 1 (TRPA1) is a calcium-permeable non-selective cation channel that is mainly expressed in primary nociceptive neurons. TRPA1 is activated by a variety of noxious stimuli, including cold temperatures, pungent compounds such as mustard oil and cinnamaldehyde
Caimeng Zhang et al.
Food chemistry, 333, 127469-127469 (2020-07-17)
The dominant volatile off-flavor compounds of pea and soy milk were investigated by gas chromatography-olfactometry-mass spectrometry (GC-O-MS), sensory evaluation, and odor-activity values (OAVs), which led to the identification of their differences. We identified 11 aroma compounds as important odorants with
Justin T Mohr et al.
Journal of medicinal chemistry, 48(12), 4172-4176 (2005-06-10)
The polyhydroxyalkanes 1,6,11,16-hexadecanetetraol (1) and 2,7,12,17-octadecanetetraol (2) were synthesized utilizing the thiophene ring as a scaffold to affix the hydroxyalkyl chains by lithiation of the acidic alpha-hydrogens and subsequent desulfurization. Both compounds exhibited significant anesthetic potency, individually and in additivity
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