diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate

Catalog No: FT-0730670

CAS No: 181425-91-2

Chemical Name: diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate
Molecular Formula: C13H16O5
Molecular Weight: 252.26 g/mol
InChI Key: AMRPMZYDTZVKTP-UHFFFAOYSA-N
InChI: InChI=1S/C13H16O5/c1-3-17-12(15)10-5-9(8-14)6-11(7-10)13(16)18-4-2/h5-7,14H,3-4,8H2,1-2H3

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

CAS:	181425-91-2
MF:	C13H16O5
Density:	1.189g/cm3
Flash_Point:	148.7ºC
Melting_Point:	82-85ºC(lit.)
Product_Name:	diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate
Symbol:	GHS07
Bolling_Point:	398.6ºC at 760 mmHg
FW:	252.26300

MF:	C13H16O5
Density:	1.189g/cm3
Computational_Chemistry:	['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 728 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :263 ', '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']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）82-85 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，50mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,217ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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']
Exact_Mass:	252.10000
Vapor_Pressure:	4.54E-07mmHg at 25°C
Flash_Point:	148.7ºC
PSA:	72.83000
Molecular_Structure:	['1 . Molar refractive index 6551 ', '2 . Molar volume （m3/mol）2120 ', '3 . Parachor （902K）5500 ', '4 . Surface tension 452 ', '5 . Polarizability （10 -24cm 3）2597']
LogP:	1.53230
Bolling_Point:	398.6ºC at 760 mmHg
FW:	252.26300
Refractive_Index:	1.53
Melting_Point:	82-85ºC(lit.)

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Symbol:	GHS07
Safety_Statements:	S23
Warning_Statement:	P261-P305 + P351 + P338
Hazard_Codes:	Xi: Irritant;
Risk_Statements(EU):	R36/37/38
RIDADR:	NONH for all modes of transport