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