3,5-DI-TERT-BUTYL-4-HYDROXYBENZALDEHYDE HEMIHYDRATE

Catalog No: FT-0643936

CAS No: 207226-32-2

Chemical Name: 3,5-DI-TERT-BUTYL-4-HYDROXYBENZALDEHYDE HEMIHYDRATE
Molecular Formula: C30H46O5
Molecular Weight: 486.7
InChI Key: IFSUWDPXRKXDGW-UHFFFAOYSA-N
InChI: InChI=1S/2C15H22O2.H2O/c2*1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6;/h2*7-9,17H,1-6H3;1H2

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:	252.34900
Density:	N/A
CAS:	207226-32-2
Bolling_Point:	N/A
Product_Name:	3,5-ditert-butyl-4-hydroxybenzaldehyde,hydrate
Melting_Point:	187-189ºC(lit.)
Flash_Point:	N/A
MF:	C15H24O3

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :10 ', '6. TPSA 756 ', '7. Heavy Atom Count :35 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :246 ', '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 :3']
LogP:	3.73540
Melting_Point:	187-189ºC(lit.)
FW:	252.34900
PSA:	46.53000
MF:	C15H24O3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL20 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）187-189 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC20mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（º ºF）Unknow ', '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']
Exact_Mass:	252.17300

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xi
Risk_Statements(EU):	R36/37/38
Safety_Statements:	S26-S36-S37
Symbol:	Warning
RIDADR:	NONH for all modes of transport
Warning_Statement:	P261-P305 + P351 + P338