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Cyclohexane,ethylidene-

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Name

Cyclohexane,ethylidene-

EINECS 213-711-8
CAS No. 1003-64-1 Density 0.891 g/cm3
PSA 0.00000 LogP 2.89680
Solubility N/A Melting Point 55 °C
Formula C8H14 Boiling Point 138.4 °C at 760 mmHg
Molecular Weight 110.199 Flash Point 23.9 °C
Transport Information UN 3295 3/PG 3 Appearance Clear colorless liquid
Safety 16-29-33 Risk Codes 10
Molecular Structure Molecular Structure of 1003-64-1 (ETHYLIDENECYCLOHEXANE) Hazard Symbols R10:Flammable.;
Synonyms

Ethylidenecyclohexane;NSC 74153;2-Methyl-methylenecyclohexane;NSC74153;BRN 2036837;AC1L22MN;110779_ALDRICH;

Article Data 87

Cyclohexane,ethylidene- Specification

The Cyclohexane,ethylidene- with CAS registry number of 1003-64-1 is also known as 2-Methyl-methylenecyclohexane. The IUPAC name is Ethylidenecyclohexane. It belongs to product categories of Acyclic; Alkenes; Organic Building Blocks. Its EINECS registry number is 213-711-8. In addition, the formula is C8H14 and the molecular weight is 110.20. This chemical is a clear colorless liquid and should be stored away from fire and oxides.

Physical properties about Cyclohexane,ethylidene- are: (1)ACD/LogP: 4.00; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 648.72; (5)ACD/BCF (pH 7.4): 648.72; (6)ACD/KOC (pH 5.5): 3584.85; (7)ACD/KOC (pH 7.4): 3584.85; (8)Index of Refraction: 1.535; (9)Molar Refractivity: 38.55 cm3; (10)Molar Volume: 123.6 cm3; (11)Surface Tension: 36.8 dyne/cm; (12)Density: 0.891 g/cm3; (13)Flash Point: 23.9 °C; (14)Enthalpy of Vaporization: 36.02 kJ/mol; (15)Boiling Point: 138.4 °C at 760 mmHg; (16)Vapour Pressure: 8.37 mmHg at 25 °C.

Preparation of Cyclohexane,ethylidene-: it is prepared by reaction of vinylcyclohexane. The reaction needs catalysts Cp2TiCl2, lithium alanate at the temperature of 180 °C for 2 hours. The yield is about 98%.

Cyclohexane,ethylidene- is prepared by reaction of vinylcyclohexane.

Uses of Cyclohexane,ethylidene-: it is used to produce 2-bromoethyl 1-(1-bromoethyl)cyclohexyl ether by reaction with oxirane. The reaction occurs with reagent Br2 at the temperature of -80 °C. The yield is about 90%.

Cyclohexane,ethylidene- is used to produce 2-bromoethyl 1-(1-bromoethyl)cyclohexyl ether by reaction with oxirane.

When you are using this chemical, please be cautious about it. As a chemical, it is flammable. During using it, do not empty into drains and take precautionary measures against static discharges. What's more, this chemical should be kept away from sources of ignition.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC=C1CCCCC1
2. InChI: InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3
3. InChIKey: BPBOWYWUOUJKLO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 16500mg/m3 (16500mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 30(7), Pg. 28, 1965.
rat LC50 inhalation 29gm/m3 (29000mg/m3)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 21, 1986.

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