Results for:
PubChem ID: 1017

Phthalic Acid

Mass-Spectra

Compound Details

Synonymous names
BENZENEDICARBOXYLICACID
Naphthalinate
o-Benzenedicarboxylate
PHTHALICACID
Alizarinate
Phthalinate
Naphthalinic acid
o-benzenedicarboxylic acid
o-Carboxybenzoate
o-dicarboxybenzene
Orthophthalic acid
XNGIFLGASWRNHJ-UHFFFAOYSA-N
Acide phtalique
Alizarinic acid
Kyselina ftalova
Phthalinic acid
phthals
Pathalic acid
phthalic acid
o-Carboxybenzoic acid
Pathalc acd
phthalsäure
ortho-phthalic acid
4kww
AC1L1AJQ
AC1Q1HCJ
Phthalate standard for IC
Phthalic acid, analytical standard
o-phthalic acid
1,2-benzenedicarboxylic acid
3,4-benzenedicarboxylic acid
CHEMBL1045
PHTHALIC ACID, ACS
SCHEMBL1808
Sunftal 20
Acide phtalique [French]
Kyselina ftalova [Czech]
s164
ACMC-209qya
NSC5348
6O7F7IX66E
H2983
HMDB02107
P0287
WLN: QVR BVQ
ZINC90750
benzene-1,2-dicarboxylic acid
DB02746
Phthalic acid, ~99%
RP22870
bmse000391
C01606
CCRIS 1446
HMS3039E17
HMS3604J03
HSDB 1339
Phthalic acid, European Pharmacopoeia (EP) Reference Standard
UNII-6O7F7IX66E
AK116685
BBL023724
DTXSID8021484
LS-1890
NSC 5348
NSC-5348
OR025173
OR183112
OR253495
OR331083
SBB058481
STL168879
benzene-1,2-dioic acid
CHEBI:29069
DSSTox_CID_1484
Phthalic acid, United States Pharmacopeia (USP) Reference Standard
AB1002491
AC-14464
AJ-10847
AN-20569
AN-24158
ANW-39200
BP-21159
DSSTox_GSID_21484
KB-59631
SC-67693
SC-74953
BDBM50080272
DSSTox_RID_76178
MFCD00002467
PHTHALIC ACID (CARBOXYL-13C)
AI3-02409
RTR-027988
ST24031536
ST50192167
AKOS000118898
I01-7091
J-523870
Phthalic acid, 99.5%
Phthalic acid, reagent grade, 98%
Z57127456
BRN 0608199
FT-0622644
MLS002152931
SMR001224528
88-99-3
1,2-Propylene glycol, bis(isooctyl phthalate)
Tox21_200915
3B1-008717
F3110-2832
CAS-88-99-3
4401-64-3
MCULE-4747891013
NCGC00090869-01
NCGC00090869-02
NCGC00258469-01
Phthalic acid, ACS reagent, >=99.5%
EINECS 201-873-2
Phthalic acid, SAJ special grade, >=99.0%
Phthalic acid, SAJ first grade, >=99.0%
Phthalic acid, Vetec(TM) reagent grade, 98%
1,2-Benzenedicarboxylic acid, 1-methyl-1,2-ethanediyl diisooctyl ester
MolPort-000-690-820
21176-EP2269988A2
21176-EP2270008A1
21176-EP2275413A1
21176-EP2284165A1
21176-EP2284178A2
21176-EP2284179A2
21176-EP2287156A1
21176-EP2292597A1
21176-EP2292617A1
21176-EP2295406A1
21176-EP2295438A1
21176-EP2298731A1
21176-EP2301924A1
21176-EP2301940A1
21176-EP2305219A1
21176-EP2305248A1
21176-EP2305663A1
21176-EP2305672A1
21176-EP2311807A1
21176-EP2311815A1
21176-EP2311824A1
21176-EP2314295A1
21176-EP2371805A1
21176-EP2374780A1
21176-EP2374781A1
21176-EP2374895A1
AB-131/40237186
827-27-0 (mono-hydrochloride salt)
10197-71-4 (hydrochloride salt)
877-24-7 (mono-potassium salt)
29801-94-3 (potassium salt)
15968-01-1 (di-hydrochloride salt)
4409-98-7 (di-potassium salt)
5793-85-1 (mono-calcium salt)
15656-86-7 (mono-barium salt)
33227-10-0 (mono-Ru salt)
4-09-00-03167 (Beilstein Handbook Reference)
Phthalic acid, ACS, 99.5% min. 100g
Phthalic acid, puriss. p.a., >=99.5% (T)
6838-85-3 (mono-lead(2+) salt)
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)
FormulaC6H4(COOH)2
PubChem ID1017
Molweight166.132
LogP1.29
Atoms18
Bonds18
H-bond Acceptor4
H-bond Donor2
Chemical ClassificationBenzenoids Acids carboxylic acids

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Putida BP25nablack pepper rootSheoran et al., 2015
BacteriaSerratia Spp. B2675n/aBruce et al., 2004
BacteriaSerratia Spp. B675n/aBruce et al., 2004
FungiLentinula EdodesnanaÇağlarırmak et al., 2007
FungiSaccharomyces Cerevisiae Y1001n/aBruce et al., 2004
N/aMarine Streptomycete (isolate B6007)n/aStritzke et al., 2004
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Putida BP25Luria Bertani AgarSolvent extraction with hexane, GC/MSNo
BacteriaSerratia Spp. B2675n/an/a
BacteriaSerratia Spp. B675n/an/a
FungiLentinula EdodesnaGC/MSNo
FungiSaccharomyces Cerevisiae Y1001n/an/a
N/aMarine Streptomycete (isolate B6007)n/an/a
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo