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5-METHYL-1-HEXYN-3-OL

Catalog No: FT-0620588

CAS No: 61996-79-0

Chemical Name: 5-METHYL-1-HEXYN-3-OL
Molecular Formula: C7H12O
Molecular Weight: 112.17
InChI Key: NTNUBJHPRAMQPC-UHFFFAOYSA-N
InChI: InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h1,6-8H,5H2,2-3H3

Product pricing and availability information
Assay	Pack Size	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:	61996-79-0
MF:	C7H12O
Flash_Point:	50.1±8.2 °C
Product_Name:	5-Methyl-1-hexyn-3-ol
Density:	0.9±0.1 g/cm3
FW:	112.170
Bolling_Point:	153.8±8.0 °C at 760 mmHg

Refractive_Index:	1.448
Vapor_Pressure:	1.2±0.6 mmHg at 25°C
Flash_Point:	50.1±8.2 °C
LogP:	1.38
Bolling_Point:	153.8±8.0 °C at 760 mmHg
PSA:	20.23000
Molecular_Structure:	['1 . Molar refractive index 3375 ', '2 . Molar volume （m3/mol）1261 ', '3 . Parachor （902K）3011 ', '4 . Surface tension 325 ', '5 . Polarizability 1338']
Computational_Chemistry:	['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 202 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :962 ', '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:	C7H12O
Exact_Mass:	112.088814
FW:	112.170
Density:	0.9±0.1 g/cm3
More_Info:	['1 . Appearance Liquid 。 ', '2 . Density（g/mL,25/4℃）0860 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）153-154 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1436 ', '8 . Flash point（ºC）53 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow 。']