FT-0610236 CAS:625-69-4 chemical structure

2,4-PENTANEDIOL

Catalog No: FT-0610236

CAS No: 625-69-4

Molecular Formula: 104.15
Formula Weight: C5H12O2
Inchl Key: GTCCGKPBSJZVRZ-UHFFFAOYSA-N
Inchl: InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3

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:	625-69-4
MF:	C5H12O2
Flash_Point:	101.7±0.0 °C
Product_Name:	2,4-PENTANEDIOL
Density:	1.0±0.1 g/cm3
FW:	104.148
Bolling_Point:	199.5±0.0 °C at 760 mmHg

Refractive_Index:	1.441
Vapor_Pressure:	0.1±0.8 mmHg at 25°C
Flash_Point:	101.7±0.0 °C
LogP:	-0.34
Bolling_Point:	199.5±0.0 °C at 760 mmHg
PSA:	40.46000
Molecular_Structure:	['1 . Molar refractive index 2820 ', '2 . Molar volume 1068 ', '3 . Parachor （902K）2593 ', '4 . Surface tension 347 ', '5 . Polarizability 1171']
Computational_Chemistry:	['1. XlogP :01 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 405 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :393 ', '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']
MF:	C5H12O2
Exact_Mass:	104.083733
FW:	104.148
Density:	1.0±0.1 g/cm3
More_Info:	['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,25/4℃）0955 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） ', '5 . Boiling point（ºC,Atmospheric pressure）200-201 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index1435 ', '8 . Flash point（ºC）101 ', '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 与Water 混溶。']