CAS No.19870-74-7,Methyl cedryl ether Suppliers

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Basic Information

Molecular Structure:
CAS No.:	19870-74-7
Name:	Methyl cedryl ether

Formula:	C₁₆H₂₈O
Molecular Weight:	236.398
Synonyms:	1H-3a,7-Methanoazulene,octahydro-6-methoxy-3,6,8,8-tetramethyl-, [3R-(3a,3ab,6b,7b,8aa)]-;Cedrane, 8-methoxy- (8CI);1H-3a,7-Methanoazulene,octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6S,7R,8aS)-;Cedrol methyl ether;Cedramber;8-Methoxycedrane;
EINECS:	243-384-7
Density:	0.964 g/cm³
Boiling Point:	268.305 °C at 760 mmHg
Flash Point:	110.341 °C
Appearance:	Colorless or light yellow liquid with sweet and dry ambergris
Risk Codes:	R36/37/38
PSA:	9.23000
LogP:	4.26390

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Specification

The Methyl cedryl ether, with the CAS registry number 19870-74-7, is also known as 1H-3a,7-Methanoazulene,octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6S,7R,8aS)-. It belongs to the product categories of Alphabetical Listings; Essential Oils Flavors and Fragrances; Flavors and Fragrances; M-N. Its EINECS number is 243-384-7. This chemical's molecular formula is C₁₆H₂₈O and molecular weight is 236.39. What's more, its systematic name is 8-Methoxycedrane. This chemical is used as perfume and fixative agent. It exists in flue gas and does not exist in nature.

Physical properties of Methyl cedryl ether are: (1)ACD/LogP: 5.348; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6835.68; (6)ACD/BCF (pH 7.4): 6835.68; (7)ACD/KOC (pH 5.5): 19343.19; (8)ACD/KOC (pH 7.4): 19343.19; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.496 ; (14)Molar Refractivity: 71.697 cm³; (15)Molar Volume: 245.314 cm³; (16)Polarizability: 28.423×10^-24cm³; (17)Surface Tension: 32.45 dyne/cm; (18)Density: 0.964 g/cm³; (19)Flash Point: 110.341 °C; (20)Enthalpy of Vaporization: 48.597 kJ/mol; (21)Boiling Point: 268.305 °C at 760 mmHg; (22)Vapour Pressure: 0.013 mmHg at 25°C.

Preparation: this chemical can be prepared by williamson reaction between cedrol and dimethyl sulfate, or with cedrol as raw material, let cedrol react with sodium hydride into sodium alcoholate, and then react with dimethyl sulfate.

You can still convert the following datas into molecular structure:
(1)SMILES: O([C@]2(CC[C@]31[C@@H](CC[C@H]1C)C([C@H]2C3)(C)C)C)C
(2)Std. InChI: InChI=1S/C16H28O/c1-11-6-7-12-14(2,3)13-10-16(11,12)9-8-15(13,4)17-5/h11-13H,6-10H2,1-5H3/t11-,12+,13-,15+,16+/m1/s1
(3)Std. InChIKey: HRGPYCVTDOECMG-WALBABNVSA-N