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3-Heptene,2,2-dimethyl-, (3E)-

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3-Heptene,2,2-dimethyl-, (3E)-

EINECS 243-156-7
CAS No. 19550-75-5 Density 0.739 g/cm3
PSA 0.00000 LogP 3.38880
Solubility N/A Melting Point N/A
Formula C9H18 Boiling Point 135 °C at 760 mmHg
Molecular Weight 126.242 Flash Point 24.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 19550-75-5 (TRANS-2,2-DIMETHYL-3-HEPTENE) Hazard Symbols N/A

3-Heptene,2,2-dimethyl-, (E)- (8CI);2,2-Dimethyl-trans-3-heptene;trans-2,2-Dimethyl-3-heptene;

Article Data 9

3-Heptene,2,2-dimethyl-, (3E)- Specification

The 3-Heptene, 2, 2-dimethyl-, (3E)-, with the CAS registry number 19550-75-5, is also known as (3E)-2, 2-Dimethylhept-3-ene. Its EINECS registry number is 243-156-7. This chemical's molecular formula is C9H18 and molecular weight is 126.24. What's more, its IUPAC name is (E)-2, 2-Dimethylhept-3-ene.

Physical properties about 3-Heptene, 2, 2-dimethyl-, (3E)- are: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.65; (4)ACD/LogD (pH 7.4): 4.65; (5)ACD/BCF (pH 5.5): 2026.26; (6)ACD/BCF (pH 7.4): 2026.26; (7)ACD/KOC (pH 5.5): 8100.82; (8)ACD/KOC (pH 7.4): 8100.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 43.76 cm3; (15)Molar Volume: 170.7 cm3; (16)Polarizability: 17.35×10-24 cm3; (17)Surface Tension: 22.6 dyne/cm; (18)Density: 0.739 g/cm3; (19)Flash Point: 24.4 °C; (20)Enthalpy of Vaporization: 35.71 kJ/mol; (21)Boiling Point: 135 °C at 760 mmHg; (22)Vapour Pressure: 9.73 mmHg at 25 °C.

Preparation of 3-Heptene, 2, 2-dimethyl-, (3E)-: this chemical is prepared by reaction of 2, 2-Dimethyl-propionaldehyde with 1, 1-Diiodo-butane. The reaction needs reagent CrCl2•DMF and solvent Tetrahydrofuran. The reaction time is 1 hour with reaction temperature of 25 °C. The yield is about 96 % Chromat.

The 3-Heptene, 2, 2-dimethyl-, (3E)- can be obtained by 2, 2-Dimethyl-propionaldehyde and 1, 1-Diiodo-butane.

Uses of 3-Heptene, 2, 2-dimethyl-, (3E)-: it is used to produce other chemicals. For example, it is used to produce 2-tert-Butyl-3-propyl-oxirane. This reaction needs reagents Bis(trimethylsilyl) peroxide; ReO3; H2O. Meanwhile, it needs solvent CH2Cl2. The reaction time is 4 hours with reaction temperature of 20 °C. The yield is about 70 %.

3-Heptene, 2, 2-dimethyl-, (3E)- can used to produce 2-tert-Butyl-3-propyl-oxirane.

You can still convert the following datas into molecular structure:
(1) SMILES: C(=C/CCC)\C(C)(C)C
(2) InChI: InChI=1/C9H18/c1-5-6-7-8-9(2,3)4/h7-8H,5-6H2,1-4H3/b8-7+

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