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Key Documents

8.06147

Sigma-Aldrich

Methylcyclohexane

for synthesis

Synonym(s):

Hexahydrotoluene

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About This Item

Linear Formula:
C6H11CH3
CAS Number:
Molecular Weight:
98.19
Beilstein:
505972
MDL number:
UNSPSC Code:
12352001
EC Index Number:
203-624-3
NACRES:
NA.22

vapor density

3.4 (vs air)

Quality Level

vapor pressure

37 mmHg ( 20 °C)
83.2 mmHg ( 37.7 °C)

Assay

≥99% (GC)

form

liquid

autoignition temp.

545 °F

potency

>86000 mg/kg LD50, skin (Rabbit)

expl. lim.

6.7 %

refractive index

n20/D 1.422 (lit.)

bp

101 °C (lit.)

mp

−126 °C (lit.)

transition temp

flash point -4 °C

solubility

0.014 g/L

density

0.77 g/mL at 25 °C (lit.)

storage temp.

2-30°C

SMILES string

CC1CCCCC1

InChI

1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChI key

UAEPNZWRGJTJPN-UHFFFAOYSA-N

Analysis Note

Assay (GC, area%): ≥ 99 %
Density (d 20 °C/ 4 °C): 0.769 - 0.770
Identity (IR): passes test

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

24.8 °F - closed cup

Flash Point(C)

-4.0 °C - closed cup


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