CAS No.4167-35-5,1,4-dioxaspiro[4.5]dec-2-ylmethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4167-35-5
Name:	1,4-dioxaspiro[4.5]dec-2-ylmethanol
Article Data:	1

Formula:	C₉H₁₆O₃
Molecular Weight:	172.224
Synonyms:	Cyclohexylidene glycerol;
EINECS:	604-604-1
Density:	1.13 g/cm³
Boiling Point:	248.3 °C at 760 mmHg
Flash Point:	138.3 °C
PSA:	38.69000
LogP:	1.05450

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Specification

The 1, 4-Dioxaspiro[4.5]decane-2-methanol, with the CAS registry number 4167-35-5, is also known as 1, 4-Dioxaspiro[4.5]dec-2-ylmethanol. This chemical's molecular formula is C₉H₁₆O₃ and molecular weight is 172.22. What's more, its IUPAC name is 1, 4-Dioxaspiro[4.5]decan-3-ylmethanol.

Physical properties about 1, 4-Dioxaspiro[4.5]decane-2-methanol are: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.08; (6)ACD/BCF (pH 7.4): 4.08; (7)ACD/KOC (pH 5.5): 95.21; (8)ACD/KOC (pH 7.4): 95.21; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 44.63 cm³; (15)Molar Volume: 151.2 cm³; (16)Polarizability: 17.69×10^-24 cm³; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 138.3 °C; (20)Enthalpy of Vaporization: 56.4 kJ/mol; (21)Boiling Point: 248.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00396 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1CC(OC12CCCCC2)CO
(2) InChI: InChI=1/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2
(3) InChIKey: XUGYZVQSZWPABZ-UHFFFAOYAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1204mg/kg (1204mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 85, Pg. 474, 1951.