CAS No.28231-03-0,Cedrenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28231-03-0
Name:	Cedrenol

Formula:	C₁₅H₂₄O
Molecular Weight:	220.355
Synonyms:	Cedr-8(15)-en-9-ol(8CI);Cedrenol (6CI);
EINECS:	248-917-7
Density:	1.0083 g/cm³
Melting Point:	178 °C
Boiling Point:	289.1 °C at 760 mmHg
Flash Point:	120.9 °C
PSA:	20.23000
LogP:	3.38580

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Specification

The Cedrenol, with the CAS registry number 28231-03-0, is also known as Octahydro-6-methylene-3,8,8-trimethyl-1H-3a,7-methanoazulen-5-ol. Its EINECS number is 248-917-7. This chemical's molecular formula is C₁₅H₂₄O and formula weight is 220.35. What's more, its systematic name is called cedr-8(15)-en-9-ol.

Physical properties of Cedrenol: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.46; (4)ACD/LogD (pH 7.4): 4.46; (5)ACD/BCF (pH 5.5): 1441.37; (6)ACD/BCF (pH 7.4): 1441.37; (7)ACD/KOC (pH 5.5): 6348.19; (8)ACD/KOC (pH 7.4): 6348.19; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 66.37 cm³; (14)Molar Volume: 215.6 cm³; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 1.02 g/cm³; (17)Melting Point: 178 °C; (18)Flash Point: 120.9 °C; (19)Enthalpy of Vaporization: 61.31 kJ/mol; (20)Boiling Point: 289.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000248 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CCC2C13CC(C2(C)C)C(=C)C(C3)O
(2)InChI: InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3
(3)InChIKey: DJYWGTBEZVORGE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 741, 1975.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 741, 1975.