CAS No.3452-07-1,1-Eicosene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3452-07-1
Name:	1-Eicosene
Article Data:	17

Formula:	C₂₀H₄₀
Molecular Weight:	280.538
Synonyms:	NSC 77138;Cetylethylene;α-Eicosene;Neodene C 20;Icos-1-ene;
EINECS:	222-374-6
Density:	0.792 g/cm³
Melting Point:	26-30 °C(lit.)
Boiling Point:	340.8 °C at 760 mmHg
Flash Point:	174.8 °C
Solubility:	0.000535ug/L(23 oC)
Appearance:	colorless crystals
Safety:	23-24/25
PSA:	0.00000
LogP:	7.82400

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Specification

The 1-Eicosene, with the CAS registry number 3452-07-1, is also known as α-Eicosene. It belongs to the product categories of 1-Olefins (GC Standard); Analytical Chemistry; Standard Materials for GC; EA - EO; Alpha Sort; E; E-LAlphabetic; Volatiles/ Semivolatiles; Acyclic; Alkenes; Organic Building Blocks. Its EINECS number is 222-374-6. This chemical's molecular formula is C₂₀H₄₀ and molecular weight is 280.53. What's more, its systematic name is icos-1-ene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light. It is used to produce special organic chemicals.

Physical properties of 1-Eicosene are: (1)ACD/LogP: 10.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.87; (4)ACD/LogD (pH 7.4): 10.87; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 17; (10)Index of Refraction: 1.446; (11)Molar Refractivity: 94.43 cm³; (12)Molar Volume: 353.7 cm³; (13)Polarizability: 37.43×10^-24cm³; (14)Surface Tension: 28.4 dyne/cm; (15)Density: 0.792 g/cm³; (16)Flash Point: 174.8 °C; (17)Enthalpy of Vaporization: 56.13 kJ/mol; (18)Boiling Point: 340.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000166 mmHg at 25°C.

Preparation of 1-Eicosene: this chemical can be prepared by 2-octadecyl-oxirane at the ambient temperature. This reaction will need reagents Te, sodium diethyl phosphite and solvent ethanol with the reaction time of 12 hours. The yield is about 91%.

1-Eicosene can be prepared by 2-octadecyl-oxirane at the ambient temperature

Uses of 1-Eicosene: it can be used to produce 1,2-dibromo-eicosane at the temperature of 0 °C. It will need reagent Br₂ and solvent diethyl ether with the reaction time of 30 min. The yield is about 99%.

1-Eicosene can be used to produce 1,2-dibromo-eicosane at the temperature of 0 °C

When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCC=C
(2)InChI: InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3
(3)InChIKey: VAMFXQBUQXONLZ-UHFFFAOYSA-N