Results for:
PubChem ID: 1017

Phthalic Acid

Mass-Spectra

Compound Details

Synonymous names
phthalic acid
88-99-3
1,2-benzenedicarboxylic acid
o-phthalic acid
benzene-1,2-dicarboxylic acid
Pathalic acid
o-dicarboxybenzene
o-benzenedicarboxylic acid
Acide phtalique
Kyselina ftalova
ortho-phthalic acid
Sunftal 20
CCRIS 1446
HSDB 1339
Orthophthalic acid
NSC 5348
EINECS 201-873-2
UNII-6O7F7IX66E
MFCD00002467
BRN 0608199
PhthalicAcid-13C2
6O7F7IX66E
o-Carboxybenzoic acid
DTXSID8021484
CHEBI:29069
AI3-02409
NSC-5348
CHEMBL1045
DTXCID901484
EC 201-873-2
4-09-00-03167 (Beilstein Handbook Reference)
254110-94-6
Copper(ii)phthalate
Benzene-1,2-dicarboxylic Acid (Phthalic Acid)
PHTHALIC ACID (USP-RS)
PHTHALIC ACID [USP-RS]
Acide phtalique [French]
Kyselina ftalova [Czech]
PHTHALIC ACID (USP IMPURITY)
PHTHALIC ACID [USP IMPURITY]
FLUORESCEIN IMPURITY B (EP IMPURITY)
FLUORESCEIN IMPURITY B [EP IMPURITY]
FLUORESCEIN SODIUM IMPURITY B (EP IMPURITY)
FLUORESCEIN SODIUM IMPURITY B [EP IMPURITY]
Alizarinate
Naphthalinate
Phthalinate
Alizarinic acid
Phthalinic acid
Pathalc acd
Naphthalinic acid
o-Carboxybenzoate
4kww
folpet TP2
phthalsäure
Benzene-1,2-dicarboxylic Acid; Phthalic acid; Fluorescein Sodium Imp. B (EP); Fluorescein Imp. B (EP); Fluorescein Sodium Impurity B; Fluorescein Impurity B
o-Benzenedicarboxylate
1,2-benzenedioic acid
Phthalic acid, ~99%
WLN: QVR BVQ
Phthalate standard for IC
Phthalic acid, 99.5%
bmse000391
PHTHALIC ACID [MI]
Picoxystrobin metabolite 15
SCHEMBL1808
1,2-benzendicarboxylic acid
PHTHALIC ACID [HSDB]
MLS002152931
NSC5348
HMS3039E17
HMS3604J03
Phthalic acid, analytical standard
BCP15370
HY-I0508
STR06656
Phthalic acid, reagent grade, 98%
Tox21_200915
BDBM50080272
Phthalic Acid (Phenyl-13C6, D4)
s6215
STL168879
AKOS000118898
DB02746
MCULE-4747891013
CAS-88-99-3
NCGC00090869-01
NCGC00090869-02
NCGC00258469-01
Phthalic acid, ACS reagent, >=99.5%
AC-14464
BP-21159
SMR001224528
CS-0009407
NS00008610
P0287
Phthalic acid, SAJ first grade, >=99.0%
EN300-17992
Phthalic acid, SAJ special grade, >=99.0%
C01606
Phthalic acid, Vetec(TM) reagent grade, 98%
Phthalic acid, puriss. p.a., >=99.5% (T)
AB-131/40237186
Q423876
J-523870
Z57127456
F3110-2832
Phthalic acid, European Pharmacopoeia (EP) Reference Standard
Phthalic acid, United States Pharmacopeia (USP) Reference Standard
InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12
Microorganism:

Yes

IUPAC namephthalic acid
SMILESC1=CC=C(C(=C1)C(=O)O)C(=O)O
InchiInChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
FormulaC8H6O4
PubChem ID1017
Molweight166.13
LogP0.7
Atoms12
Bonds2
H-bond Acceptor4
H-bond Donor2
Chemical Classificationacids benzenoids organic acids aromatic compounds carboxylic acids
CHEBI-ID29069
Supernatural-IDSN0434862

mVOC Specific Details

Boiling Point
DegreeReference
NA NA peer reviewed
Volatilization
The Henry's Law constant for phthalic acid is estimated as 2X10-11 atm-cu m/mole(SRC) derived from its vapor pressure, 6.36X10-7 mm Hg(1), and water solubility, 6965 mg/L(2). This Henry's Law constant indicates that phthalic acid is expected to be essentially nonvolatile from water surfaces(3). Phthalic acid's Henry's Law constant indicates that volatilization from moist soil surfaces will not occur(SRC). Phthalic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical And Thermodynamic Properties of Pure Chemicals: Data Compilation, Supplement 1 (1991) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 456 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc values were determined for an acidic forest soil (Podzol, 4.85% organic carbon, pH 2.8), an agricultural soil (Alfisol, 1.25% organic carbon, pH 6.7) and a sublimnic soil (sediment from Lake Constance, Germany, 1.58% organic carbon, pH 7.1) as 31, 2 and 2, respectively(1). According to a classification scheme(2), these Koc values suggest that phthalic acid is expected to have very high mobility in soil. Phthalic acid adsorbs strongly to aluminum and iron oxides via a surface ligand exchange reaction(3). Adsorptivity is sensitive to pH; for aluminum oxide the fraction absorbed is >0.8 below pH 6 and falls below 0.1 above pH 7.5(3).
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Ainsworth CC et al; pp 125-44 in Sorption and Degradation of Pesticides in Soil Sci Soc Spec Publ 32 (1993)
Vapor Pressure
PressureReference
6.36X10-7 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNAKarami et al. 2017
ProkaryotaStaphylococcus AureusNAKarami et al. 2017
EukaryotaTrichoderma Asperelluminhibited the mycelial growth of Lasiodiplodia theobromae L26NASudha et al. 2021
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
ProkaryotaPseudomonas Putidanablack pepper rootSheoran et al. 2015
EukaryotaLentinula EdodesnanaÇağlarırmak et al. 2007
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
EukaryotaZygosaccharomyces RouxiiNANAPei et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
ProkaryotaStaphylococcus AureusMueller Hinton broth (MB), tryptic soy broth (TSB)SPME, DVB/CAR/PDMS, GC-MSno
EukaryotaTrichoderma AsperellumSPME/GC-MSno
ProkaryotaSerratia Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
ProkaryotaPseudomonas PutidaLuria Bertani AgarSolvent extraction with hexane, GC/MSno
EukaryotaLentinula EdodesnaGC/MSno
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno