Product Name

  • Name

    RHODINOL

  • EINECS 205-473-9
  • CAS No. 6812-78-8
  • Article Data6
  • CAS DataBase
  • Density 0.838 g/cm3
  • Solubility
  • Melting Point -4.05°C (estimate)
  • Formula C10H20O
  • Boiling Point 223.3 °C at 760 mmHg
  • Molecular Weight 156.268
  • Flash Point 82.3 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes
  • Molecular Structure Molecular Structure of 6812-78-8 (RHODINOL)
  • Hazard Symbols IrritantXi
  • Synonyms Rhodinol (6CI);(-)-Rhodinol;(-)-a-Citronellol;(S)-a-Citronellol;Rhodinol, (-)-;a-Citronellol, (-)-;
  • PSA 197.08000
  • LogP 0.26350

7-Octen-1-ol,3,7-dimethyl-, (3S)- 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) 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.

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