CAS No.29461-14-1,ISOLONGIFOLANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29461-14-1
Name:	ISOLONGIFOLANONE

Formula:	C₁₅H₂₄O
Molecular Weight:	220.355
Synonyms:	2H-2,4a-Methanonaphthalen-8(5H)-one,hexahydro-1,1,5,5-tetramethyl-, (2a,4aa,8aa)-;2H-2a,4aa-Methanonaphthalen-8(5H)-one,1,3,4,6,7,8aa-hexahydro-1,1,5,5-tetramethyl-(8CI);
EINECS:	245-890-3
Density:	1 g/cm³
Boiling Point:	286.8 °C at 760 mmHg
Flash Point:	119.7 °C
Solubility:	17.6mg/L at 20℃
PSA:	17.07000
LogP:	3.81800

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Specification

The Isolongifolene ketone exo, with the CAS registry number 29461-14-1, is also known as (2alpha,4aalpha,8alpha)-Hexahydro-1,1,5,5-tetramethyl-2H-2,4alpha-methanonaphthalen-8(5H)-one. Its EINECS registry number is 249-649-3. This chemical's molecular formula is C₁₅H₂₄O and molecular weight is 220.35046. Its systematic name is called (2S,4aS)-1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one.

Physical properties of Isolongifolene ketone exo: (1)ACD/LogP: 4.20; (2)ACD/LogD (pH 5.5): 4.19; (3)ACD/LogD (pH 7.4): 4.19; (4)ACD/BCF (pH 5.5): 907.78; (5)ACD/BCF (pH 7.4): 907.78; (6)ACD/KOC (pH 5.5): 4559.55; (7)ACD/KOC (pH 7.4): 4559.55; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.509; (10)Molar Refractivity: 65.46 cm³; (11)Molar Volume: 219.1 cm³; (12)Surface Tension: 34.7 dyne/cm; (13)Density: 1 g/cm³; (14)Flash Point: 119.7 °C; (15)Enthalpy of Vaporization: 52.59 kJ/mol; (16)Boiling Point: 286.8 °C at 760 mmHg; (17)Vapour Pressure: 0.00259 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CCC(=O)C2C13CCC(C3)C2(C)C)C
(2)InChI: InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3
(3)InChIKey: VCOCESNMLNDPLX-UHFFFAOYSA-N