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29230

Sigma-Aldrich

Cyclohexene

puriss. p.a., ≥99.5% (GC)

Synonym(s):

Tetrahydrobenzene

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About This Item

Empirical Formula (Hill Notation):
C6H10
CAS Number:
Molecular Weight:
82.14
Beilstein:
906737
EC Number:
MDL number:
UNSPSC Code:
12352100

vapor density

2.8 (vs air)

vapor pressure

160 mmHg ( 20 °C)

grade

puriss. p.a.

Assay

≥99.5% (GC)

autoignition temp.

590 °F

contains

~0.01% 2,6-di-tert-butyl-4-methylphenol as stabilizer

expl. lim.

5 %

evapn. residue

≤0.005%

refractive index

n20/D 1.446 (lit.)
n20/D 1.446

bp

83 °C (lit.)

mp

−104 °C (lit.)

density

0.811 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
Ba: ≤0.1 mg/kg
Bi: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
K: ≤0.5 mg/kg
Li: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Mo: ≤0.1 mg/kg
Na: ≤0.5 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

SMILES string

C1CCC=CC1

InChI

1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2

InChI key

HGCIXCUEYOPUTN-UHFFFAOYSA-N

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Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

1.4 °F

Flash Point(C)

-17 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the

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