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Merck

1.02832

Cyclohexane

EMPLURA®

Synonym(s):

Hexahydrobenzene, Hexamethylene, Naphthene

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About This Item

Empirical Formula (Hill Notation):
C6H12
CAS Number:
110-82-7
Molecular Weight:
84.16
UNSPSC Code:
12191504
NACRES:
NA.21
EC Index Number:
203-806-2
MDL number:
MFCD00003814
Beilstein/REAXYS Number:
1900225
assay:
≥99% (GC)
bp:
80.7 °C (lit.)
vapor pressure:
168.8 mmHg ( 37.7 °C)
77 mmHg ( 20 °C)

Product Name

Cyclohexane, EMPLURA®

InChI

1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

SMILES string

C1CCCCC1

InChI key

XDTMQSROBMDMFD-UHFFFAOYSA-N

vapor density

2.9 (vs air)

vapor pressure

168.8 mmHg ( 37.7 °C)
77 mmHg ( 20 °C)

product line

EMPLURA®

assay

≥99% (GC)

form

liquid

autoignition temp.

500 °F

potency

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

expl. lim.

9 %

dilution

(low-cost alternative, for basic applications)

impurities

≤0.001% Free acid (as CH3COOH)
≤0.05% Water

refractive index

n20/D 1.426 (lit.)

kinematic viscosity

1.26 cSt(20 °C)

bp

80.7 °C (lit.)

mp

4-7 °C (lit.)

transition temp

flash point -18 °C

solubility

0.05 g/L

density

0.779 g/mL at 25 °C (lit.)

storage temp.

2-30°C

Quality Level

200

Related Categories

Analysis Note

Purity (GC): ≥ 99.0 %
Identity (IR): conforms
Free acid (as CH₃COOH): ≤ 0.001 %
Density (d 20 °C/ 4 °C): 0.778 - 0.779
Readily carbonizable substances: conforms
Water: ≤ 0.05 %

Application

Cyclohexane can be used as a solvent:
  • To study thermal degradation of low-density polyethylene (LDPE) wastes.
  • In the enantioselective reductive alkylation reaction in the presence of Ir-ferrocenyl diphosphine as a catalyst.
  • To synthesize hydroxyl-terminated polybutadiene (HTPB) via anionic polymerization of butadiene in the presence of an initiator.
  • In the enantioselective hydrogenation of ethyl pyruvate to R(+)ethyl lactate in the presence of Pt/zeolite catalyst.

Legal Information

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

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

-4.0 °F - closed cup

flash_point_c

-20 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Enantioselective hydrogenation of ethyl pyruvate: Long-term performance of chirally modified Pt/zeolite catalysts
Bohmer U, et al.
Catalysis Today, 60(3-4) (2000)
Use of cyclohexane as solvent in thermal degradation of low density polyethylene wastes
Karaduman A, et al.
Polymer-Plastics Technology and Engineering, 41(4) (2002)
Iridium ferrocenyl diphosphine catalyzed enantioselective reductive alkylation of a hindered aniline
Blaser H-U, et al.
Synlett, 1999(1) (1999)
Synthesis of hydroxyl-terminated polybutadiene possessing high content of 1, 4-units via anionic polymerization
Chen Ji-ming, et al.
Chinese Journal of Polymer Science, 28(5) (2010)

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