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Basic Information
CAS No.: 590-71-6
Name: 2,2-DIMETHYL-3,4-OCTADIENAL
Molecular Structure:
Molecular Structure of 590-71-6 (2,2-DIMETHYL-3,4-OCTADIENAL)
Formula: C10H16O
Molecular Weight: 152.236
Synonyms: 2,2-Dimethyl-3,4-octadienal;NSC 75871;
Density: 0.83 g/cm3
Boiling Point: 214.5 °C at 760 mmHg
Flash Point: 79.5 °C
PSA: 17.07000
LogP: 2.72290
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Specification

This chemical is called 3,4-Octadienal,2,2-dimethyl-, and its systematic name is 2,2-dimethylocta-3,4-dienal. With the molecular formula of C10H16O, its molecular weight is 152.23. The CAS registry number of this chemical is 590-71-6.

Other characteristics of the 3,4-Octadienal,2,2-dimethyl- can be summarised as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.442; (8)Molar Refractivity: 48.57 cm3; (9)Molar Volume: 183.2 cm3; (10)Polarizability: 19.25×10-24cm3; (11)Surface Tension: 18.4 dyne/cm; (12)Density: 0.83 g/cm3; (13)Flash Point: 79.5 °C; (14)Enthalpy of Vaporization: 45.08 kJ/mol; (15)Boiling Point: 214.5 °C at 760 mmHg; (16)Vapour Pressure: 0.155 mmHg at 25°C.

Uses of this chemical: The 3,4-Octadienal,2,2-dimethyl- could react with methanol, and obtain the 6,6-dimethyl-3-propyl-2-oxa-bicyclo[3.1.0]hexan-4-one, 4-hydroxy-6-methoxy-5,5-dimethyl-2-propyl-dihydro-pyran-3-one and 4-hydroxy-6-methoxy-5,5-dimethyl-2-propyl-dihydro-pyran-3-one. This reaction needs the reagent of dimethyldioxirane. The yield is 32 %.

You can still convert the following datas into molecular structure:
1.SMILES: O=CC(\C=C=C\CCC)(C)C
2.InChI: InChI=1/C10H16O/c1-4-5-6-7-8-10(2,3)9-11/h6,8-9H,4-5H2,1-3H3
3.InChIKey: VSFHYKIILWBKOH-UHFFFAOYAJ