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4-chloro-2-ethyl-5-methylsulfonylbenzoic acid

oct-2-ynoic acid

Catalog No: FT-0750287

CAS No: 5663-96-7

Chemical Name: oct-2-ynoic acid
Molecular Formula: C8H12O2
Molecular Weight: 140.18
InChI Key: BQDKCWCMDBMLEH-UHFFFAOYSA-N
InChI: InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)

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

Product_Name:	2-octynoic acid
MF:	C8H12O2
Bolling_Point:	148-149 °C19 mm Hg(lit.)
Density:	0.961 g/mL at 25 °C(lit.)
FW:	140.18000
Melting_Point:	2-5 °C(lit.)
Flash_Point:	214 °F
CAS:	5663-96-7

MF:	C8H12O2
Bolling_Point:	148-149 °C19 mm Hg(lit.)
Exact_Mass:	140.08400
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）0961 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）2-5 ', '5 . Boiling point（ºC,Atmospheric pressure）148-149 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index146 ', '8 . Flash point（ºC）214 ', '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']
Melting_Point:	2-5 °C(lit.)
PSA:	37.30000
Flash_Point:	214 °F
Density:	0.961 g/mL at 25 °C(lit.)
Molecular_Structure:	['1 . Molar refractive index 3868 ', '2 . Molar volume （m3/mol）1385 ', '3 . Parachor （902K）3503 ', '4 . Surface tension 409 ', '5 . Polarizability （10 -24cm 3）1533']
Computational_Chemistry:	['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :159 ', '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']
FW:	140.18000
LogP:	1.65470
Refractive_Index:	n20/D 1.46(lit.)

Risk_Statements(EU):	R20/21/22
Hazard_Codes:	C
RTECS:	RI2725000
HS_Code:	2916190090
Safety_Statements:	S26-S27-S36/37/39-S45
WGK_Germany:	3
Packing_Group:	II
Hazard_Class:	8
RIDADR:	UN 3265 8/PG 2