BENZOIC ACID 3-METHYL-2-BUTENYL ESTER

Catalog No: FT-0622706

CAS No: 5205-11-8

Chemical Name: BENZOIC ACID 3-METHYL-2-BUTENYL ESTER
Molecular Formula: C12H14O2
Molecular Weight: 190.24 g/mol
InChI Key: INVWRXWYYVMFQC-UHFFFAOYSA-N
InChI: InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3

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

Melting_Point:	N/A
CAS:	5205-11-8
MF:	C12H14O2
Flash_Point:	125.1ºC
Product_Name:	3-Methyl-2-butenyl Benzoate
Density:	1.018g/cm3
FW:	190.23800
Bolling_Point:	280.1ºC at 760mmHg

Refractive_Index:	1.516
Flash_Point:	125.1ºC
LogP:	2.80960
Bolling_Point:	280.1ºC at 760mmHg
FW:	190.23800
PSA:	26.30000
Computational_Chemistry:	['1 . XlogP 32 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 263 ', '7 . Heavy Atom Count 14 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 208 ', '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']
MF:	C12H14O2
Exact_Mass:	190.09900
Molecular_Structure:	['分子性质数据 ', '1 . Molar refractive index 5645 ', '2 . Molar volume （m3/mol）1867 ', '3 . Parachor （902K）4546 ', '4 . Surface tension 351 ', '5 . Polarizability （10 -24cm 3）2238']
Density:	1.018g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）103 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）107 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）134 ', '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']