CAS No.32388-55-9,Acetyl cedrene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32388-55-9
Name:	Acetyl cedrene
Article Data:	3

Formula:	C₁₇H₂₆O
Molecular Weight:	246.393
Synonyms:	Ethanone,1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-,[3R-(3a,3ab,7b,8aa)]-;1H-3a,7-Methanoazulene,ethanone deriv.;Acetyl-a-cedrene;Lixetone;Vertofix;
EINECS:	251-020-3
Density:	1 g/cm³
Boiling Point:	340.6 °C at 760 mmHg
Flash Point:	142.8 °C
Solubility:	6mg/L at 23℃
PSA:	17.07000
LogP:	4.37420

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Specification

The Methyl cedryl ketone is an organic compound with the formula C₁₇H₂₆O. The systematic name of this chemical is 1-cedr-8-en-9-ylethanone. With the CAS registry number 32388-55-9, it is also named as 9-Acetyl-8-cedrene. The product's categories are Organics; Alphabetical Listings; Essential Oils Flavors and Fragrances; Flavors and Fragrances; M-N. Besides, it is used as ingredients of all kinds of green fragrant, woody, incense and moss green.

Physical properties about Methyl cedryl ketone are: (1)ACD/LogP: 5.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 5.17; (5)ACD/BCF (pH 5.5): 4976.54; (6)ACD/BCF (pH 7.4): 4976.54; (7)ACD/KOC (pH 5.5): 15411.8; (8)ACD/KOC (pH 7.4): 15411.8; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.07 Å²; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 74.14 cm³; (14)Molar Volume: 245 cm³; (15)Polarizability: 29.39×10^-24cm³; (16)Surface Tension: 34.5 dyne/cm; (17)Density: 1 g/cm³; (18)Flash Point: 142.8 °C; (19)Enthalpy of Vaporization: 58.42 kJ/mol; (20)Boiling Point: 340.6 °C at 760 mmHg; (21)Vapour Pressure: 8.49E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)C=1C[C@]23C[C@@H](C=1C)C(C)(C)[C@@H]3CC[C@H]2C
(2)InChI: InChI=1/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
(3)InChIKey: YBUIAJZFOGJGLJ-SWRJLBSHBC
(4)Std. InChI: InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
(5)Std. InChIKey: YBUIAJZFOGJGLJ-SWRJLBSHSA-N