FT-0609691 CAS:76-09-5 chemical structure

Pinacol

Name: Pinacol
Rating: 4.5 (11 reviews)

Catalog No: FT-0609691

CAS No: 76-09-5

Molecular Formula: 118.17
Formula Weight: C6H14O2
Inchl Key: IVDFJHOHABJVEH-UHFFFAOYSA-N
Inchl: InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,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

Symbol:	GHS07
CAS:	76-09-5
Flash_Point:	77.2±0.0 °C
Product_Name:	Pinacol
Bolling_Point:	174.4±0.0 °C at 760 mmHg
FW:	118.174
Melting_Point:	40-43 °C(lit.)
MF:	C6H14O2
Density:	1.0±0.1 g/cm3

Refractive_Index:	1.448
Vapor_Pressure:	0.4±0.7 mmHg at 25°C
Flash_Point:	77.2±0.0 °C
LogP:	-0.29
Bolling_Point:	174.4±0.0 °C at 760 mmHg
PSA:	40.46000
Molecular_Structure:	['1 . Molar refractive index 3284 ', '2 . Molar volume 1226 ', '3 . Parachor （902K）2945 ', '4 . Surface tension 332 ', '5 . Polarizability 1302']
Computational_Chemistry:	['1 . XlogP 01 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count ', '6 . TPSA 405 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 725 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
Melting_Point:	40-43 °C(lit.)
MF:	C6H14O2
Exact_Mass:	118.099380
FW:	118.174
Density:	1.0±0.1 g/cm3
More_Info:	['1 . Appearance 含6分子结晶Water 者为Colourless 片状结晶，在醇or 醚中结晶析出者为Colourless 针状的无Water 物。 ', '2 . Density（g/mL,15/4℃,过冷Liquid ）0967 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）43 ', '5 . Boiling point（ºC,1013kPa）1744 ', '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 稍Soluble in 冷Water ，Soluble in 热Water 醇醚，微Soluble in 二硫化碳。']

Symbol:	GHS07
Risk_Statements(EU):	R38
WGK_Germany:	2
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RTECS:	EK1720000
RIDADR:	UN 1325 4.1/PG 2
Hazard_Codes:	Xi:Irritant;
Safety_Statements:	H315