phthalic acid

CAS No. 88-99-3

Formula: C8H6O4
Basic Info

Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. It is an isomer of isophthalic acid and terephthalic acid. Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale.

Formula
C8H6O4
Molecular Weight
166.131
Exact Mass
166.027
LogP
1.083
PSA
74.6
Synonyms

1,2-Benzenedicarboxylic acid

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Properties
Appearance & Physical State
white crystals
Density
1.451 g/cm3
Boiling Point
378.274ºC at 760 mmHg
Melting Point
200-205ºC
Flash Point
168ºC
Water Solubility
7 g/L (25 ºC)
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Info
RTECS
TH9625000
Safety Statements
S26-S37/39
WGK Germany
1
Risk Statements
R36/37/38
HS Code
2917399090
Caution Statement
P261; P305 + P351 + P338
Hazard Codes
Hazard Declaration
Caution Statement
Spectrum
NMR Spectrum 1H NMR : 400 MHz in DMSO-d6
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IR Spectrum IR : nujol mull
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,200 M,powder
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ESR Spectrum ESR : TI(III) COMPLEX IN C6H6/C6H5(CH3), S-BAND
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UV Spectrum UV/Visible spectrum
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Analysis Methods
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
SPB-1
Retention index
1643.
Temperature Control
Method
temperature ramp
Comments
30. m/0.32 mm/0.25 μm, Helium, 30. C @ 3. min, 4. K/min, 250. C @ 10. min
Reference
Escalona-Arranz, J.C.Perez-Roses, R.Jimenez, I.L.Rodriguez-Amado, J.Argota-Coello, H.Canizares-Lay, J.Morris-Quevedo, H.J.Sierra-Gonzales, G.Chemical constituents of Tamarindus indica L. leavesRev. Cubana Quim.2010, 22, 3, 65-71.
Lee's RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
HP-5
Retention index
225.33
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
Reference
Pedersen, D.U.Durant, J.L.Taghizadeh, K.Hemond, H.F.Lafleur, A.L.Cass, G.R.Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds.Environ. Sci. Technol.2005, 39, 24, 9547-9560.

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