CAS No.68140-48-7,TRASEOLIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68140-48-7
Name:	TRASEOLIDE
Article Data:	3

Formula:	C₁₈H₂₆O
Molecular Weight:	258.404
Synonyms:	5-Acetyl-1,1,2,6-tetramethyl-3-isopropyl-2,3-dihydroindene;5-Acetyl-1,1,2,6-tetramethyl-3-isopropylindan;ATH;Traesolide;
EINECS:	268-799-0
Density:	0.933 g/cm³
Boiling Point:	350 °C at 760 mmHg
Flash Point:	146.3 °C
PSA:	17.07000
LogP:	4.86450

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Specification

The Traseolide, with the CAS registry number 68140-48-7, is also known as trans-1-(2,3-Dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl)ethanone. Its EINECS registry number is 268-799-0. This chemical's molecular formula is C₁₈H₂₆O and molecular weight is 258.3984. Its systematic name is called 1-[1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl].

Physical properties of Traseolide: (1)ACD/LogP: 6.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14; (4)ACD/LogD (pH 7.4): 6.14; (5)ACD/BCF (pH 5.5): 27419.16; (6)ACD/BCF (pH 7.4): 27419.16; (7)ACD/KOC (pH 5.5): 52280.98; (8)ACD/KOC (pH 7.4): 52280.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.498; (13)Molar Refractivity: 81.17 cm³; (14)Molar Volume: 276.8 cm³; (15)Surface Tension: 29.4 dyne/cm; (16)Density: 0.933 g/cm³; (17)Flash Point: 146.3 °C; (18)Enthalpy of Vaporization: 59.46 kJ/mol; (19)Boiling Point: 350 °C at 760 mmHg; (20)Vapour Pressure: 4.53E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by acetyl chloride and 1,1,2,6-Tetramethyl-3-isopropylindane. This reaction will need reagent 1-methyl-3-ethylimidazolium chloride-AlCl₃. The reaction time is 1 hour with reaction temperature of 0 ℃. The yield is about 99%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc2c(cc1C)C(C(C2C(C)C)C)(C)C)C
(2)InChI: InChI=1/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3
(3)InChIKey: IMRYETFJNLKUHK-UHFFFAOYAC