FT-0614760 CAS:19549-98-5 chemical structure

3,6-DIMETHYL-1-HEPTYN-3-OL

Name: 3,6-DIMETHYL-1-HEPTYN-3-OL
Rating: 4.5 (11 reviews)

Catalog No: FT-0614760

CAS No: 19549-98-5

Molecular Formula: 140.22
Formula Weight: C9H16O
Inchl Key: COWFALGRNJAHKW-UHFFFAOYSA-N
Inchl: InChI=1S/C9H16O/c1-5-9(4,10)7-6-8(2)3/h1,8,10H,6-7H2,2-4H3

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:	N/A
CAS:	19549-98-5
MF:	C9H16O
Flash_Point:	56.5±8.2 °C
Product_Name:	3,6-DIMETHYL-1-HEPTYN-3-OL
Density:	0.9±0.1 g/cm3
FW:	140.223
Bolling_Point:	168.6±8.0 °C at 760 mmHg

Refractive_Index:	1.454
Vapor_Pressure:	0.5±0.7 mmHg at 25°C
Flash_Point:	56.5±8.2 °C
LogP:	2.26
Bolling_Point:	168.6±8.0 °C at 760 mmHg
FW:	140.223
PSA:	20.23000
Computational_Chemistry:	['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :140 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF:	C9H16O
Exact_Mass:	140.120117
Molecular_Structure:	['1 . Molar refractive index 4303 ', '2 . Molar volume （m3/mol）1587 ', '3 . Parachor （902K）3784 ', '4 . Surface tension 322 ', '5 . Polarizability （10 -24cm 3）1705']
Density:	0.9±0.1 g/cm3
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL,25/4℃）085 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC, 5mm ）59-60 ', '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']