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CAS No.: | 1003-64-1 |
---|---|
Name: | ETHYLIDENECYCLOHEXANE |
Article Data: | 87 |
Molecular Structure: | |
Formula: | C8H14 |
Molecular Weight: | 110.199 |
Synonyms: | Ethylidenecyclohexane;NSC 74153;2-Methyl-methylenecyclohexane;NSC74153;BRN 2036837;AC1L22MN;110779_ALDRICH; |
EINECS: | 213-711-8 |
Density: | 0.891 g/cm3 |
Melting Point: | 55 °C |
Boiling Point: | 138.4 °C at 760 mmHg |
Flash Point: | 23.9 °C |
Appearance: | Clear colorless liquid |
Hazard Symbols: | R10:Flammable.; |
Risk Codes: | 10 |
Safety: | 16-29-33 |
Transport Information: | UN 3295 3/PG 3 |
PSA: | 0.00000 |
LogP: | 2.89680 |
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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%.
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%.
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. |