Sorbic acid

Catalog No: FT-0645130

CAS No: 110-44-1

Chemical Name: Sorbic acid
Molecular Formula: C6H8O2
Molecular Weight: 112.13
InChI Key: WSWCOQWTEOXDQX-MQQKCMAXSA-N
InChI: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+

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

Symbol:	Warning
FW:	112.127
Density:	1.0±0.1 g/cm3
CAS:	110-44-1
Bolling_Point:	233.0±9.0 °C at 760 mmHg
Product_Name:	Sorbic acid
Melting_Point:	132-135 °C(lit.)
Flash_Point:	139.9±9.6 °C
MF:	C6H8O2

Molecular_Structure:	['1 . Molar refractive index 3152 ', '2 . Molar volume 1094 ', '3 . Parachor （902K）2670 ', '4 . Surface tension 354 ', '5 . Polarizability 1249']
Flash_Point:	139.9±9.6 °C
Refractive_Index:	1.488
FW:	112.127
Density:	1.0±0.1 g/cm3
Bolling_Point:	233.0±9.0 °C at 760 mmHg
Melting_Point:	132-135 °C(lit.)
Computational_Chemistry:	['1 . XlogP 13 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 123 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 2 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
LogP:	1.35
Water_Solubility:	1.6 g/L (20 ºC)
PSA:	37.30000
MF:	C6H8O2
More_Info:	['1 . Appearance White 针状结晶or 结晶性粉末，具有特殊的酸味，在Atmosphere 中长期放置会氧化变色。 2 . Density（g/mL,25℃）1204 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）1345 ', '5 . Boiling point（ºC，分解）228（dec），153ºC（6665pa） ', '6 . Boiling point（ºC,kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）127 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）001 ', '12 . Saturated vapor pressure（kPa, ºC）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 微Soluble in Water ，Soluble in 丙二醇，无Water Ethanol and 甲醇，冰乙酸，丙酮，苯，四氯化碳，环己烷，二氧六环，甘油，异丙醇，异丙醚，乙酸甲酯，甲苯。']
Vapor_Pressure:	0.0±1.0 mmHg at 25°C
Exact_Mass:	112.052429

Hazard_Codes:	Xi:Irritant
Symbol:	Warning
Warning_Statement:	P261-P305 + P351 + P338
HS_Code:	2916190090
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RTECS:	WG2100000
Risk_Statements(EU):	R36/38
Safety_Statements:	S26-S36-S24/25
RIDADR:	NONH for all modes of transport
WGK_Germany:	1