CAS No.6812-78-8,RHODINOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6812-78-8
Name:	RHODINOL
Article Data:	6

Formula:	C₁₀H₂₀O
Molecular Weight:	156.268
Synonyms:	Rhodinol (6CI);(-)-Rhodinol;(-)-a-Citronellol;(S)-a-Citronellol;Rhodinol, (-)-;a-Citronellol, (-)-;
EINECS:	205-473-9
Density:	0.838 g/cm³
Melting Point:	-4.05°C (estimate)
Boiling Point:	223.3 °C at 760 mmHg
Flash Point:	82.3 °C
Hazard Symbols:	Xi
Safety:	26-36
PSA:	197.08000
LogP:	0.26350

Total:17 Page 1 of 1 1

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Specification

The CAS register number of 7-Octen-1-ol,3,7-dimethyl-, (3S)- is 6812-78-8. It also can be called as Rhodinol (6CI) and the systematic name about this chemical is (3S)-3,7-dimethyloct-7-en-1-ol. The molecular formula about this chemical is C₁₀H₂₀O and the molecular weight is 156.27.

Physical properties about 7-Octen-1-ol,3,7-dimethyl-, (3S)- are: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 3.39; (3)ACD/LogD (pH 7.4): 3.39; (4)ACD/BCF (pH 5.5): 222.11; (5)ACD/BCF (pH 7.4): 222.11; (6)ACD/KOC (pH 5.5): 1664.49; (7)ACD/KOC (pH 7.4): 1664.49; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.443; (13)Molar Refractivity: 49.43 cm³; (14)Molar Volume: 186.3 cm³; (15)Polarizability: 19.59x10^-24cm³; (16)Surface Tension: 28.1 dyne/cm; (17)Density: 0.838 g/cm³; (18)Flash Point: 82.3 °C; (19)Enthalpy of Vaporization: 53.46 kJ/mol; (20)Boiling Point: 223.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0197 mmHg at 25 °C.

Uses of 7-Octen-1-ol,3,7-dimethyl-, (3S)-: it can be used to produce 3-methyl-6-(2-methyl-oxiranyl)-hexan-1-ol. This reaction will need reagent of HOF*CH₃CN. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
If you want to use this chemical, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC[C@H](CCC\C(=C)C)C
(2)InChI: InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3/t10-/m0/s1
(3)InChIKey: JGQFVRIQXUFPAH-JTQLQIEIBX
(4)Std. InChI: InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h10-11H,1,4-8H2,2-3H3/t10-/m0/s1
(5)Std. InChIKey: JGQFVRIQXUFPAH-JTQLQIEISA-N

The toxicity data are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intramuscular	4gm/kg (4000mg/kg)	Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.
rabbit	LD50	skin	3600mg/kg (3600mg/kg)	Food and Chemical Toxicology. Vol. 30, Pg. 113S, 1992.
rat	LDLo	oral	5gm/kg (5000mg/kg)	Food and Chemical Toxicology. Vol. 30, Pg. 113S, 1992.