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5-Phenylvaleric acid

Catalog No: FT-0620766

CAS No: 2270-20-4

Chemical Name: 5-Phenylvaleric acid
Molecular Formula: C11H14O2
Molecular Weight: 178.23
InChI Key: BYHDDXPKOZIZRV-UHFFFAOYSA-N
InChI: InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)

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:	58-60 °C(lit.)
CAS:	2270-20-4
MF:	C11H14O2
Flash_Point:	227.2±17.2 °C
Product_Name:	5-Phenylvaleric acid
Density:	1.1±0.1 g/cm3
FW:	178.228
Bolling_Point:	308.5±0.0 °C at 760 mmHg

Refractive_Index:	1.528
Vapor_Pressure:	0.0±0.7 mmHg at 25°C
Flash_Point:	227.2±17.2 °C
LogP:	2.70
Bolling_Point:	308.5±0.0 °C at 760 mmHg
PSA:	37.30000
Molecular_Structure:	['1 . Molar refractive index 5126 ', '2 . Molar volume 1663 ', '3 . Parachor （902K）4250 ', '4 . Surface tension 425 ', '5 . Polarizability 2032']
Computational_Chemistry:	['1 . XlogP 27 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count ', '6 . TPSA 373 ', '7 . Heavy Atom Count 13 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 148 ', '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']
Melting_Point:	58-60 °C(lit.)
MF:	C11H14O2
Exact_Mass:	178.099380
FW:	178.228
Density:	1.1±0.1 g/cm3
More_Info:	['1 . Appearance White 晶体 ', '2 . Density（g/L,20ºC）10487 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）58-60 ', '5 . Boiling point（ºC,Atmospheric pressure）190（3999pa） ', '6 . Boiling point（ºC 12mmHg）176-178 ', '7 . Refractive index（nD20）15156 ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）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 易Soluble in Ethanol 微Soluble in Water 。']

WGK_Germany:	3
Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RTECS:	YV7816000
RIDADR:	NONH for all modes of transport
Hazard_Codes:	Xi
HS_Code:	29163900
Safety_Statements:	S22-S24/25