FT-0614763 CAS:78-66-0 chemical structure

3,6-DIMETHYL-4-OCTYN-3,6-DIOL

Name: 3,6-DIMETHYL-4-OCTYN-3,6-DIOL
Rating: 4.5 (11 reviews)

Catalog No: FT-0614763

CAS No: 78-66-0

Molecular Formula: 170.25
Formula Weight: C10H18O2
Inchl Key: NUYADIDKTLPDGG-UHFFFAOYSA-N
Inchl: InChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	54-55°C
CAS:	78-66-0
MF:	C10H18O2
Flash_Point:	85.8±13.0 °C
Product_Name:	UNII:GFO2D7A38Q
Density:	1.0±0.1 g/cm3
FW:	170.249
Bolling_Point:	214.7±8.0 °C at 760 mmHg

Refractive_Index:	1.486
Vapor_Pressure:	0.0±0.9 mmHg at 25°C
Flash_Point:	85.8±13.0 °C
LogP:	1.35
Bolling_Point:	214.7±8.0 °C at 760 mmHg
FW:	170.249
PSA:	40.46000
Computational_Chemistry:	['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :190 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	54-55°C
MF:	C10H18O2
Exact_Mass:	170.130676
Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 4938 ', '2 . Molar volume （m3/mol）1720 ', '3 . Parachor （902K）4318 ', '4 . Surface tension 397 ', '5 . Polarizability （10 -24cm 3）1957']
Density:	1.0±0.1 g/cm3
More_Info:	['1 . Appearance 结晶状Solid 。 ', '2 . Density（g/mL,25/4℃）0933 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）53-55℃ ', '5 . Boiling point（ºC,Atmospheric pressure）222℃ ', '6 . Boiling point（ºC,52kPa）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定。']