Name: 1,3,4-TRIMETHYL-3-CYCLOHEXEN-1-CARBOXALDEHYDE
SKU: 40702-26-9

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Basic Information

Molecular Structure:
CAS No.:	40702-26-9
Name:	1,3,4-TRIMETHYL-3-CYCLOHEXEN-1-CARBOXALDEHYDE
Article Data:	26

Formula:	C₁₂H₁₆O
Molecular Weight:	152.236
Synonyms:	1,3,4-Trimethyl-3-cyclohexenecarboxaldehyde;1,3,4-Trimethyl-3-cyclohexene-1-carboxaldehyde;3-Cyclohexene-1-carboxaldehyde,1,3,4-trimethyl-;
Density:	0.947 g/cm³
Boiling Point:	200.802 °C at 760 mmHg
Flash Point:	65.988 °C
PSA:	17.07000
LogP:	2.71190

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Specification

1,3,4-Trimethyl-3-cyclohexene-1-carbaldehyde is an organic compound with the formula C₁₂H₁₆O, and its systematic name is the same with the product name. With the CAS registry number 40702-26-9, it is also named as 3-Cyclohexene-1-carboxaldehyde,1,3,4-trimethyl-. In addition, the molecular weight is 152.23.

Physical properties of 1,3,4-Trimethyl-3-cyclohexene-1-carbaldehyde are: (1)ACD/LogP: 2.758; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 73.50; (6)ACD/BCF (pH 7.4): 73.50; (7)ACD/KOC (pH 5.5): 754.21; (8)ACD/KOC (pH 7.4): 754.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 47.905 cm³; (15)Molar Volume: 160.715 cm³; (16)Polarizability: 18.991×10^-24cm³; (17)Surface Tension: 33.375 dyne/cm; (18)Density: 0.947 g/cm³; (19)Flash Point: 65.988 °C; (20)Enthalpy of Vaporization: 43.701 kJ/mol; (21)Boiling Point: 200.802 °C at 760 mmHg; (22)Vapour Pressure: 0.32 mmHg at 25°C.

Preparation of 1,3,4-Trimethyl-3-cyclohexene-1-carbaldehyde: this chemical can be prepared by 2-methyl-propenal at the ambient temperature. This reaction will need reagent methylrhenium trioxide and solvent CHCl₃ with the reaction time of 2 hours. The yield is about 89%.

1,3,4-Trimethyl-3-cyclohexene-1-carbaldehyde can be prepared by 2-methyl-propenal at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC1(C)C\C(=C(/CC1)C)C
(2)Std. InChI: InChI=1S/C10H16O/c1-8-4-5-10(3,7-11)6-9(8)2/h7H,4-6H2,1-3H3
(3)Std. InChIKey: HPPUQZZCHCEJEW-UHFFFAOYSA-N