Chemical Name: (3S)-3-(Methoxycarbonyl)-5-methylhexanoic acid
Molecular Formula: C9H16O4
Molecular Weight: 188.22
InChI Key: AJNNFMRCMKGYHA-ZETCQYMHSA-N
InChI: InChI=1S/C9H16O4/c1-6(2)4-7(5-8(10)11)9(12)13-3/h6-7H,4-5H2,1-3H3,(H,10,11)/t7-/m0/s1

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:	213270-36-1
MF:	C9H16O4
Flash_Point:	108ºC
Product_Name:	(s)-(-)-2-isobutylsuccinic acid 1-methyl ester
Density:	1.069g/cm3
FW:	188.22100
Bolling_Point:	288.6ºC at 760mmHg

Refractive_Index:	1.447
Vapor_Pressure:	0.001mmHg at 25°C
Flash_Point:	108ºC
LogP:	1.29640
Bolling_Point:	288.6ºC at 760mmHg
FW:	188.22100
PSA:	63.60000
Computational_Chemistry:	['1 . XlogP 19 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 664 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area -1 ', '9 . Complexity 181 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '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:	C9H16O4
Exact_Mass:	188.10500
Density:	1.069g/cm3
More_Info:	['1 . Appearance Colourless or Yellow 的Liquid ', '2 . Density（g/mL）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC35mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（º F）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 不能拌and or 难以拌and ']