benzoic acid

65-85-0

Dracylic acid

benzenecarboxylic acid

Carboxybenzene

Benzeneformic acid

phenylformic acid

Benzenemethanoic acid

Phenylcarboxylic acid

benzoate

Retardex

Benzoesaeure GK

Benzoesaeure GV

Retarder BA

Tenn-Plas

Acide benzoique

Salvo liquid

Solvo powder

Benzoesaeure

Benzoic acid, tech.

Unisept BZA

HA 1 (acid)

Kyselina benzoova

Benzoic acid (natural)

HA 1

Benzoate (VAN)

Benzenemethonic acid

FEMA No. 2131

Vevovitall

Acido benzoico

Menno-florades

NSC 149

Benzoesaeure [German]

Caswell No. 081

Diacylic acid

Oracylic acid

Benzoicum acidum

CCRIS 1893

HSDB 704

Acide benzoique [French]

Acido benzoico [Italian]

E 210

Kyselina benzoova [Czech]

AI3-0310

AI3-03710

Diacylate

EPA Pesticide Chemical Code 009101

CHEBI:30746

Salvo powder

Acidum benzoicum

NSC-149

UNII-8SKN0B0MIM

E210

Salvo, liquid

Solvo, powder

8SKN0B0MIM

Benzoic acid (e 210)

EINECS 200-618-2

Tennplas

DTXSID6020143

Retarded BA

INS-210

Aromatic carboxylic acid

MFCD00002398

Benzoic acid [USP:JAN]

BENZOIC-4-D1 ACID

DTXCID80143

Benzoic acid-ring-UL-14C

INS NO.210

E-210

EC 200-618-2

Benzeneformate

Phenylformate

Benzenemethanoate

Phenylcarboxylate

Benzenecarboxylate

Benzoic acid 100 microg/mL in Acetone

Benzoic acid (USP:JAN)

BENZOIC ACID (II)

BENZOIC ACID [II]

Benzoic Acid 2000 microg/mL in Dichloromethane

BENZOIC ACID (MART.)

BENZOIC ACID [MART.]

BENZOIC ACID (USP-RS)

BENZOIC ACID [USP-RS]

BENZOIC ACID (EP MONOGRAPH)

BENZOIC ACID [EP MONOGRAPH]

BENZOIC ACID (USP MONOGRAPH)

BENZOIC ACID [USP MONOGRAPH]

Acid, Benzoic

Benzoic acid [USAN:JAN]

CAS-65-85-0

MFCD00002400

NSC7918

B A

Benzoic acid (TN)

phenylcarboxy

Dracylate

ProvitaCombat

benzoic aicd

benzoic-acid

benzoic_acid

bezoic acid

Aromatic acid

benzenecarboxylic

Benzoicum Ac

Eyelids Wipes

benzoic- acid

Provita Equiband

Retarder BAX

1gyx

1kqb

Rheumatism Diarrhea

Sodium benzoic acid

Benzoic Acid,(S)

CARBOXYLBENZENE

DIACYCLIC ACID

DRACYCLIC ACID

benzene carboxylic acid

760 - Preservatives

BENZOICACID-D5

ANTAZOLINE_met016

WLN: QVR

benzene-2-carboxylic acid

EUCATROPINE_met034

CYCLANDELATE_met022

BENZOIC ACID [MI]

Benzoic acid, ACS reagent

bmse000300

CHEMBL541

Epitope ID:139965

BENZOIC ACID [FCC]

BENZOIC ACID [JAN]

SCHEMBL1378

BENZOIC ACID [FHFI]

BENZOIC ACID [HSDB]

BENZOIC ACID [INCI]

SAMPL4, O1

TRIPELENNAMINE_met034

Benzoic acid (JP17/USP)

BENZOIC ACID [VANDF]

MLS002415717

27 - Preservatives in Cream

BIDD:ER0597

BENZOIC ACID [WHO-DD]

BENZOIC ACID [WHO-IP]

Benzoic acid, AR, >=99%

Benzoic acid, LR, >=99%

NSC149

31 - Preservatives in Mascara

BENZOICUM ACIDUM [HPUS]

FEMA 2131

Benzoic acid (7CI,8CI,9CI)

Benzoic acid, analytical standard

Benzoic acid, p.a., 99.5%

BENZOIC ACID [GREEN BOOK]

BDBM197302

Benzoic-2,3,4,5,6-d5 acid

HMS2092F18

HMS2267D03

HMS3652B03

Pharmakon1600-01503001

HY-N0216

Tox21_202403

Tox21_300180

NSC758203

s4161

STK301730

Benzoic acid, ReagentPlus(R), 99%

AKOS000119619

BS-3752

CCG-213088

DB03793

MCULE-4467353796

NSC-758203

ACIDUM BENZOICUM [WHO-IP LATIN]

Benzoic acid, >=99.5%, FCC, FG

USEPA/OPP Pesticide Code: 009101

Benzoic acid, ACS reagent, >=99.5%

NCGC00091886-01

NCGC00091886-02

NCGC00091886-03

NCGC00091886-05

NCGC00254112-01

NCGC00259952-01

TIAPROFENIC ACID IMPURITY D [EP]

Benzoic acid, USP, 99.5-100.5%

BP-30148

SMR001252220

SY009192

SY236257

Benzoic acid, tested according to Ph.Eur.

SBI-0206720.P001

Benzoic acid, SAJ first grade, >=99.5%

DB-029471

B0062

B2635

CS-0008257

NS00008785

SW219833-1

Benzoic acid, natural, >=99.5%, FCC, FG

Benzoic acid, SAJ special grade, >=99.5%

Benzoic acid, Vetec(TM) reagent grade, 98%

EN300-18007

2-BENZOYL-5-METHOXYBENZOQUINONE_met032

Benzoic acid, meets USP testing specifications

Benzoic acid, purified by sublimation, >=99%

C00180

C00539

D00038

D85168

MEFENAMIC ACID IMPURITY D [EP IMPURITY]

AB00949635_05

AB00949635_06

A835250

A934445

Benzoic Acid Zone Refined (number of passes:20)

Q191700

SR-05000001919

Benzoic acid, puriss. p.a., ACS reagent, 99.9%

SR-05000001919-1

0BE368DC-6DE6-4927-AECF-E4BB2968A4A0

GLYCOPYRRONIUM BROMIDE IMPURITY D [EP IMPURITY]

Melting point standard 121-123C, analytical standard

METRONIDAZOLE BENZOATE IMPURITY C [EP IMPURITY]

Z57127480

F2191-0092

HYDROUS BENZOYL PEROXIDE IMPURITY B [EP IMPURITY]

Benzoic acid, NIST(R) SRM(R) 39j, calorimetric standard

Benzoic acid, Standard for quantitative NMR, TraceCERT(R)

METHYLAMINOLEVULINATE HYDROCHLORIDE IMPURITY I [EP]

Benzoic acid, European Pharmacopoeia (EP) Reference Standard

Mettler-Toledo Calibration substance ME 18555, Benzoic acid

Benzoic acid, for calorimetrical determination (approx. 26460 J/g)

Benzoic acid, United States Pharmacopeia (USP) Reference Standard

InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9

SS Benzoic Acid, 2000 mug/mL in dichloromethane, analytical standard

Benzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material

Benzoic acid, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.9% (alkalimetric)

14322-82-8

Benzoic acid, certified reference material for titrimetry, certified by BAM according to ISO 17025, >=99.5%

Benzoic acid, meets analytical specification of Ph. Eur., BP, USP, FCC, E210, 99.5-100.5% (alkalimetric)

Mettler-Toledo Calibration substance ME 18555, Benzoic acid, analytical standard, for the calibration of the thermosystem 900, traceable to primary standards (L

ScavengePore(TM) benzoic acid, macroporous, 40-70 mesh, extent of labeling: 0.5-1.5 mmol per g loading

A pKa of 4.20(1) indicates benzoic acid will exist almost entirely in the ionized form at pH values of 5 to 9 and, therefore, volatilization from water or moist soil surfaces is not expected to be an important fate process. Benzoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.0X10-4 mm Hg at 25 deg C(2).
Literature: (1) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., p 8-47 (2010) (2) McEachern DM, Sandoval O; J Phys E 6: 155-161 (1973)

Koc of benzoic acid is estimated as 15(SRC), using a log Kow of 1.87(1) and a regression-derived equation(2). An experimental log Koc of 1.50 (Koc = 31) has been reported, test details not available(3). According to a classification scheme(4), these Koc values suggest that benzoic acid is expected to have very high mobility in soil. The pKa of benzoic acid is 4.20(5), indicating that this compound will exist in anion form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(6). Freundlich adsorption constants of 0.23, 0 and 0 were reported using Ersum sandy till (pH 4.7; 0.25% OC), Tirstrup melt water sand (pH 6.1; 0.09% OC) and Djursland clayey till (pH 7.6; 0.22% OC), respectively, at 6 deg C. Soils were collected in North Sealand and Djursland, Jutland(7). Benzoic acid displayed negligible adsorption when using a montmorillonite (Volclay bentonite, Upton WY) clay(8).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 29 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 19, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., p 8-47 (2010) (6) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (7) Loekke H; Water Air Soil Pollut 22: 373-87 (1984) (8) Bailey GW et al; Soil Sci Soc Amer Proc 32: 222-34 (1968)

pyrogallol

benzene-1,2,3-triol

87-66-1

1,2,3-trihydroxybenzene

pyrogallic acid

1,2,3-benzenetriol

fourrine PG

Fouramine Brown AP

fourrine 85

Pyro

Piral

C.I. Oxidation Base 32

fouramine base ap

C.I. 76515

1,2,3-Trihydroxybenzen

CI Oxidation Base 32

Benzene, 1,2,3-trihydroxy-

NSC 5035

2,3-Dihydroxyphenol

CCRIS 1940

HSDB 794

NSC-5035

EINECS 201-762-9

UNII-01Y4A2QXY0

BRN 0907431

01Y4A2QXY0

CI 76515

DTXSID6025983

CHEBI:16164

AI3-00709

1,2,3-Trihydroxybenzen [Czech]

1,2,3-TRIHYDROXY-BENZENE

benzene-1,2-3-triol

CHEMBL307145

DTXCID905983

4-06-00-07327 (Beilstein Handbook Reference)

Benzene-1,2,3-triol (Pyrogallol)

MFCD00002192

NCGC00091507-01

PYROGALLOL (MART.)

PYROGALLOL [MART.]

1,2,3-Trihydroxybenzen (CZECH)

acid, Pyrogallic

CAS-87-66-1

Pyrogallol [NF]

PYG

PYROGALLOL, ACS

Pyrogallic

Pyrogallol;

trihydroxybenzene

1,3-Benzenetriol

Pyrogallol, 98%

PYROP

Pyrogallol ACS grade

1,3-Trihydroxybenzen

Pyrogallic Acid,(S)

1,3-Trihydroxybenzene

PYROGALLOL [MI]

Pyrogallol, ACS reagent

PYROGALLOL [HSDB]

PYROGALLOL [INCI]

Benzene,2,3-trihydroxy-

WLN: QR BQ CQ

PYROGALLOL [VANDF]

SCHEMBL3532

PYROGALLOL [WHO-DD]

C.I. Oxidation Base 32

MLS001066376

Pyrogallol, analytical standard

1,2,3-Trihydroxybenzene, XIV

Pyrogallol, >=98% (HPLC)

Pyrogallol, p.a., ACS reagent

NSC5035

BCP15871

HY-N1579

Pyrogallol, ACS reagent, >=99%

STR08708

Tox21_111143

Tox21_202373

BBL011607

BDBM50031472

Pyrogallol, Vetec(TM) reagent grade

s3885

STL163335

AKOS000120163

AM10660

CCG-266100

CS-W019928

MCULE-6282052463

1,2,3-Benzenetriol (ACD/Name 4.0)

NCGC00091507-02

NCGC00091507-03

NCGC00259922-01

Pyrogallol, purum, >=98.0% (HPLC)

AC-11384

BP-12538

DA-40956

GMN

Pyrogallol, SAJ first grade, >=98.0%

SMR000471842

Pyrogallol, JIS special grade, >=99.0%

NS00014915

P0570

EN300-18055

A15863

C01108

AB-131/40221933

Q388692

W-104009

Z57127553

2,3-Dihydroxyphenol; Benzene-1,2,3-triol; NSC 5035

F0001-2163

InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9

30813-84-4

The Henry's Law constant for pyrogallic acid is estimated as 1.57X10-10 atm-cu m/mole(SRC) derived from its vapor pressure, 4.79X10-4 mm Hg(1), and water solubility, 5.07X10+5 mg/L(2). This Henry's Law constant indicates that the neutral species of pyrogallic acid is expected to be essentially nonvolatile from water surfaces(3). The pKa of pyrogallic acid is 9.01(4), indicating that this compound will partially exist in the anion form in the environment, and anions do not volatilize(SRC). Pyrogallic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 260 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Kortum G et al; Dissociation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry. London: Butterworth (1961)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of pyrogallic acid can be estimated to be 320(SRC). According to a classification scheme(2), this estimated Koc value suggests that pyrogallic acid is expected to have moderate mobility in soil. The pKa of pyrogallic acid is 9.01(3), indicating that this compound will partially exist in the anion form in the environment and anions do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from, as of April 12, 2010: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Kortum G et al; Dissociation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry. London: Butterworth (1961) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Gallic acid

3,4,5-Trihydroxybenzoic acid

149-91-7

gallate

Benzoic acid, 3,4,5-trihydroxy-

Gallic acid, tech.

Kyselina gallova

Pyrogallol-5-carboxylic acid

GALOP

HSDB 2117

CCRIS 5523

3,4,5-Trihydroxybenzoate

MFCD00002510

NSC 674319

CHEBI:30778

Kyselina 3,4,5-trihydroxybenzoova

AI3-16412

EINECS 205-749-9

NSC 20103

NSC-20103

NSC-674319

UNII-632XD903SP

BRN 2050274

DTXSID0020650

632XD903SP

NSC20103

3,4,5-Trihydroxybenzoic acid, anhydrous

DTXCID60650

CHEMBL288114

3,4,5-trihydroxy-Benzoic acid

3-10-00-02070 (Beilstein Handbook Reference)

NSC674319

NCGC00091125-01

GALLIC ACID ANHYDROUS

Kyselina gallova [Czech]

Acid, Gallic

CAS-149-91-7

Gallic acid [NF]

SR-05000001537

gallic-acid

Kyselina 3,4,5-trihydroxybenzoova [Czech]

Gallic acid tech.

Gallic Acid, F

GDE

Gallic Acid1520

Spectrum_000342

SpecPlus_000307

5-Trihydroxybenzoic acid

Spectrum2_000399

Spectrum3_000254

Spectrum4_001544

Spectrum5_000108

GALLIC ACID [MI]

bmse000389

3,5-Trihydroxybenzoic acid

GALLIC ACID [HSDB]

GALLIC ACID [INCI]

3,4,5-hydroxybenzoic acid

WLN: QVR CQ DQ EQ

3,4,5-trihydroxy-Benzoate

Oprea1_087792

SCHEMBL15012

3,4,5-Trihydroxybenzoicacid

BSPBio_001668

KBioGR_002008

KBioSS_000822

SPECTRUM210369

65271-60-5

BIDD:ER0374

DivK1c_006403

GALLIC ACID [WHO-DD]

SPBio_000617

3,4,5-Trihydroxybenzoate, X

Benzoic acid,4,5-trihydroxy-

GTPL5549

3,4,5-Trihydroxybenzoic acid;

KBio1_001347

KBio2_000822

KBio2_003390

KBio2_005958

KBio3_001168

CPD-183

DTXSID50420476

Gallic acid, puriss., 98.0%

1,5-Cyclohexadiene-1-carboxylic acid, 5-hydroxy-3,4-dioxo-

HMS1923K07

HMS2091A07

Pharmakon1600-00210369

BCP18127

HY-N0523

NSC36997

Tox21_111089

Tox21_202515

BBL009937

BDBM50085536

CCG-38670

NSC-36997

NSC755825

s4603

STK298718

AKOS000119625

Tox21_111089_1

AC-1206

CS-8191

MCULE-1552954312

NSC-755825

PS-8710

SDCCGMLS-0066503.P001

NCGC00091125-02

NCGC00091125-03

NCGC00091125-04

NCGC00091125-05

NCGC00091125-07

NCGC00091125-13

NCGC00260064-01

DA-33612

SY038078

SBI-0052184.P002

Gallic acid, 97.5-102.5% (titration)

G0011

NS00013682

EN300-21542

C01424

D85056

3,4,5-trihydroxybenzoic acid (ACD/Name 4.0)

AB00052697_03

Q375837

Q-201146

SR-05000001537-1

SR-05000001537-2

SR-05000001537-3

BRD-K77345217-001-01-9

F1908-0156

Gallic acid, certified reference material, TraceCERT(R)

Z104501122

78563C7D-0E2D-4766-A8EA-670A03C78FCF

GALLIC ACID (CONSTITUENT OF GRAPE SEEDS OLIGOMERIC PROANTHOCYANIDINS)

InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12

137657-43-3

The Henry's Law constant for gallic acid is estimated as 8.5X10-20 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that gallic acid will be essentially nonvolatile from water surfaces(2,SRC). Gallic acid's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is not expected(SRC). Gallic acid is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 1.2X10-7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985)

The Koc of gallic acid is estimated as approximately 57(SRC), using a measured log Kow of 0.70(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that gallic acid is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, And Steric Constants. ACS Prof Ref Book. Washington, DC: American Chemical Society (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

CHLOROGENIC ACID

327-97-9

3-O-Caffeoylquinic acid

Heriguard

Chlorogenate

3-(3,4-Dihydroxycinnamoyl)quinic acid

3-Caffeoylquinic acid

Hlorogenic acid

trans-Chlorogenic acid

CP chlorogenic acid

Caffeoyl quinic acid

Chlorogenicacid

NSC-407296

5-CQA

(+)-Chlorogenic acid

CCRIS 1400

Chlorogenic acid [MI]

5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid

trans-Caffeic acid 5-o-D-quinate

202650-88-2

EINECS 206-325-6

Chlorogenic acid [WHO-DD]

UNII-318ADP12RI

NSC 70861

NSC-70861

NSC 407296

318ADP12RI

CHEBI:16112

trans-5-O-Caffeoylquinic acid

MFCD00003862

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

CHEMBL284616

DTXCID604786

Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-

DTXSID3024786

1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate)

(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid

Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-

Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-

Chlorogenic acid (constituent of st. john's wort) [DSC]

3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid

(1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid

Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1alpha,3beta,4alpha,5alpha))-

Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-

caffeoylquinic acid

CHLOROGENIC ACID (USP-RS)

CHLOROGENIC ACID [USP-RS]

Chlorogenic acid hemihydrate

3-O-caffeoyl-D-quinic acid

Caffetannic acid

1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate

3-Caffeoylquinate

Acid, Chlorogenic

3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid

(1S,3R,4R,5R)-3-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid

[1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid

[1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid

cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-

Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-

Cyclohexanecarboxylic acid,3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)-

3 Caffeoylquinic Acid

Acid, 3-Caffeoylquinic

3-trans-Caffeoylquinic acid

Hlorogenate

Helianthic acid

Igasuric acid

NSC70861

Chlorogenic-acid

NSC407296

Caffeylquinic acid

Chlorogenic acid,

(1S-(1alpha,3beta,4alpha,5alpha))3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid

3-(3,4-Dihydroxycinnamoyl)quinate

CAS-327-97-9

edit(1S,3R,4R,5R)-3-(((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid

edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid

Prestwick_112

(E)-chlorogenic acid

5-caffeoyl quinic acid

Chlorogenic Acid1510

Chlorogenic acid (8CI)

Prestwick2_000427

Prestwick3_000427

Spectrum5_000733

bmse000387

Quinic acid, 5-caffeoyl-

SCHEMBL19466

BSPBio_000414

BSPBio_003353

SPECTRUM210800

MLS002153805

BIDD:ER0453

BPBio1_000456

Quinic acid, 3-caffeoyl-, E-

ACon1_000581

CHEBI:95271

GTPL12477

BDBM513080

DTXSID101318952

HMS1569E16

HMS1923C11

HMS2096E16

HMS2235F03

HMS3649E06

HY-N0055

Tox21_202495

BDBM50327036

CCG-38471

s2280

AKOS015955866

AC-6032

Chlorogenic acid, >=95% (titration)

CS-3766

DB12029

MCULE-8135887819

SDCCGMLS-0066467.P001

NCGC00168941-01

NCGC00168941-02

NCGC00168941-03

NCGC00168941-05

NCGC00260044-01

(1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid

1ST40089

AS-12284

SMR000857273

Chlorogenic acid 1000 microg/mL in Acetone

NS00015066

Chlorogenic acid 10 microg/mL in Acetonitrile

C00852

F16266

Chlorogenic acid (constituent of st. john's wort)

Q421964

SR-01000841185

SR-01000946600

D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43

SR-01000841185-4

SR-01000946600-1

BRD-K47114202-001-06-2

32CF6D13-8F08-485F-B79E-F8A6AC318E07

Chlorogenic acid, primary pharmaceutical reference standard

Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard

Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard

3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid

3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid

(1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid

(1S,3R,4R,5R)-3-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylicacid

(1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid

(1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid

(1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid

Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts)

CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1S-(1-.ALPHA.,3-.BETA.,4-.ALPHA.,5-.ALPHA.))-

2-Hydroxy-5-sulfobenzoic acid

5-Sulfosalicylic acid

SULFOSALICYLIC ACID

97-05-2

5-Sulphosalicylic acid

Salicylsulfonic acid

Benzoic acid, 2-hydroxy-5-sulfo-

Salicylic acid, sulfo-

2-Hydroxybenzoic-5-sulfonic acid

Benzoic acid, 2-hydroxysulfo-

Sulphosalicylic acid

Salicylic acid, 5-sulfo-

3-Carboxy-4-hydroxybenzenesulfonic acid

NSC 190565

5-Sulfosalicylate

5-sulfo-Salicylic acid

L8XED79U3U

CHEMBL229241

CHEBI:68555

NSC-190565

2-hydroxy-5-sulfo-benzoic acid

WLN: WSQR DQ CVQ

Kalcolor anodizing acid

Sulfosalicylic acid (VAN)

Salicylsulfonic acid (VAN)

Sulphosalicylic acid (VAN)

EINECS 202-555-6

UNII-L8XED79U3U

BRN 0650741

CP 18121

AI3-18246

AI3-32582

sulfo salicylic acid

SULFOSALICYLIC

5-sulfosalicyclic acid

2-hydroxysulfo-Benzoate

2-hydroxysulfo-Benzoic acid

SCHEMBL34766

2-Hydroxy-5-sulfobenzoicacid

4-11-00-00702 (Beilstein Handbook Reference)

DTXSID7059145

SULFOSALICYLIC ACID [MI]

NSC4741

HY-B1785

NSC-4741

BBL008587

BDBM50219498

NSC190565

STK301570

SULFOSALICYLIC ACID [WHO-DD]

AKOS000120294

MCULE-1452035534

AC-11271

CS-0013816

NS00014762

S0830

EN300-20563

G76479

A845677

Q238569

W-100120

Z104478882

InChI=1/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13

caffeic acid

3,4-Dihydroxycinnamic acid

331-39-5

trans-caffeic acid

501-16-6

3-(3,4-dihydroxyphenyl)acrylic acid

3,4-Dihydroxybenzeneacrylic acid

(E)-3-(3,4-dihydroxyphenyl)acrylic acid

(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

3-(3,4-Dihydroxyphenyl)-2-propenoic acid

(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

Caffeicacid

Cinnamic acid, 3,4-dihydroxy-

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-

4-(2-Carboxyethenyl)-1,2-dihydroxybenzene

trans-Caffeate

CCRIS 847

NSC 57197

3,4-Dihydroxy-trans-cinnamate

3-(3,4-Dihydroxyphenyl)propenoic acid

(E)-3,4-dihydroxycinnamic acid

HSDB 7088

UNII-U2S3A33KVM

4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-

71693-97-5

EINECS 206-361-2

U2S3A33KVM

NSC-57197

Caffeate

NSC-623438

CHEBI:16433

AI3-63211

trans-3,4-Dihydroxycinnamic Acid

3-(3,4-Dihydroxy phenyl)-2-propenoic acid

NSC57197

331-89-5

CHEMBL145

3-(3,4-dihydroxyphenyl)prop-2-enoic acid

MLS000069738

CHEBI:36281

MFCD00004392

NSC623438

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (2E)-

SMR000058214

(2E)-3-(3,4-dihydroxyphenyl)acrylic acid

CAFFEIC ACID (IARC)

CAFFEIC ACID [IARC]

Caffeic acid - Natural

SR-01000000203

caffeic acid, (E)-isomer

DTXSID5020231

caffeic-acid

Caffeic acid pure

Caffeic acid, 1

Caffeic acid 1000 microg/mL in Acetone

3,4-dihydroxycinnamic acid (caffeic acid)

Caffeic Acid,(S)

Caffeic Acid1507

Caffeic acid, trans-

3,4-dihydroxycinnamate

CAFFEIC ACID natural

Opera_ID_1700

CAFFEIC ACID [MI]

CAFFEIC ACID [DSC]

Cinnamic acid,4-dihydroxy-

3,4-Dihydroxycinnamic acid, predominantly trans

CAFFEIC ACID [HSDB]

CAFFEIC ACID [INCI]

3,4-Dihydroxybenzeneacrylate

SCHEMBL23358

MLS001076493

MLS002207132

MLS002222302

MLS006011849

BIDD:ER0456

DTXCID10231

SPECTRUM1503987

CAFFEIC ACID [WHO-DD]

2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, (2E)-

3,4-Dihydroxycinnamate, XVII

BDBM4375

cid_689043

GTPL5155

AMY3943

Trans 3,4-Dihydroxycinnamic acid

DTXSID901316055

HMS2235G09

HMS3260J17

HMS3649O17

BCP28271

HY-N0172

Tox21_200648

Tox21_500208

BBL012113

Caffeic Acid - CAS 331-39-5

CCG-38895

s2277

STK397812

Caffeic acid, >=98.0% (HPLC)

2-Propenoic acid,4-dihydroxyphenyl)-

AKOS000144463

AC-8006

CS-8205

DB01880

LP00208

SDCCGMLS-0002982.P003

SDCCGSBI-0050196.P004

NCGC00017364-04

NCGC00017364-05

NCGC00017364-06

NCGC00017364-07

NCGC00017364-08

NCGC00017364-09

NCGC00017364-10

NCGC00017364-11

NCGC00017364-12

NCGC00017364-13

NCGC00017364-22

NCGC00022654-03

NCGC00022654-04

NCGC00022654-05

NCGC00022654-06

NCGC00022654-07

NCGC00022654-08

NCGC00022654-09

NCGC00258202-01

NCGC00260893-01

NCGC00263641-01

(E)-3-(3,4-dihydroxyphenyl)acrylicacid

AS-10895

BP-30112

CAS-331-39-5

SMR004703501

XC164210

4-(2'Carboxyvinyl)-1,2-dihydroxybenzene

Caffeic acid, purum, >=95.0% (HPLC)

DB-318886

DB-321780

HY-121231

AB00490047

CS-0081280

EU-0100208

NS00010313

SW197202-3

2-Morpholin-4-yl-isonicotinicacidhydrochloride

2-Propenoic acid, 3-(3,4-dihdroxyphenyl)-

(E)-3-(3,4-dihydroxyphenyl)prop-2-enoicacid

C 0625

C-1500

C01197

C01481

EN300-1067793

(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid

A851723

CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH)

Q414116

SR-01000000203-2

SR-01000000203-6

SR-01000000203-7

SR-01000000203-8

BRD-K09900591-001-06-9

SR-01000000203-13

CAFFEIC ACID (CONSTITUENT OF BLACK COHOSH) [DSC]

F3096-1708

Z240113804

2',3-DIHYDROXY-4,4',6'-TRIMETHOXYCHALCONE_met021

2',4-DIHYDROXY-3,4',6'-TRIMETHOXYCHALCONE_met023

8B3E4DA7-F3B0-4972-A315-2E387071737F

trans-Caffeic acid, certified reference material, TraceCERT(R)

Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC)

Caffeic acid, United States Pharmacopeia (USP) Reference Standard

Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC), powder, light beige

InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2

The Henry's Law constant for caffeic acid is estimated as 1.4X10-16 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that caffeic acid is expected to be essentially nonvolatile from water surfaces(2). Caffeic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.5X10-7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

The Koc of caffeic acid is estimated as 100(SRC), using a log Kow of 1.15(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that caffeic acid is expected to have high mobility in soil. The pKa of caffeic acid is 4.62(4), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb to organic carbon and clay more strongly than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res. Lab., Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Serjeant EP, Dempsey B; Ionisation constants of organic acids in aqueous solution. IUPAC Chem Data Ser No. 23. NY, NY: Pergamon pp. 989 (1979) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

3,4-DIHYDROXYBENZOIC ACID

protocatechuic acid

99-50-3

Protocatehuic acid

4-Carboxy-1,2-dihydroxybenzene

protocatechuate

4,5-Dihydroxybenzoic acid

Benzoic acid, 3,4-dihydroxy-

3,4-dihydroxybenzoate

CCRIS 6291

protocatechuicacid

EINECS 202-760-0

UNII-36R5QJ8L4B

MFCD00002509

NSC 16631

BRN 1448841

36R5QJ8L4B

DTXSID4021212

CHEBI:36062

PROTOCATECHOIC ACID

NSC-16631

Catechol-4-carboxylic Acid

3, 4-Dihydroxybenzoic acid

CHEMBL37537

MLS000737807

DTXCID601212

FEMA NO. 4430

PROTOCATECHUIC ACID (PCA)

DIHYDROXYBENZOIC ACID, 3,4-

1ykp

DROXIDOPA METABOLITE (PROTOCATECHOIC ACID)

3,4-Dihydroxy Benzoic Acid

NSC16631

DB03946

SMR000528167

C00230

D-3487

Hypogallic acid

b-Resorcylate

beta-Resorcylate

ProtocatechicAcid

b-resorcylic acid

4fht

Protacatechuic Acid

ZINCSELENITE

Carbohydroquinonic acid

cid_72

Protocatechuic Acid,(S)

Protocatechuic acid (M1)

bmse000328

3,4-dihydroxy-benzoic acid

3,4-dihydroxybenzoic acid (protocatechuic acid)

SCHEMBL39435

3,4-Dihydroxybenzoate, VIII

Pyrocatechol-4-carboxylic Acid

PROTOCATECHUIC ACID [MI]

HMS2270A17

KUC104409N

HY-N0294

Tox21_200167

BBL012232

BDBM50100861

s3975

STL163570

AKOS000119632

AC-9617

CCG-207950

CS-6092

KSC-10-128

MCULE-8964889860

CAS-99-50-3

NCGC00246757-01

NCGC00246757-02

NCGC00257721-01

3,4-DIHYDROXYBENZOIC ACID [INCI]

AS-10808

SY014104

DB-021903

AM20060767

NS00014667

3,4-Dihydroxybenzoic acid, >=97.0% (T)

EN300-21544

3,4-Dihydroxybenzoic acid, analytical standard

F11285

3,4-dihydroxybenzoate;3,4-Dihydroxybenzoic acid

A846038

AE-562/40524392

Q418599

976C8CCE-B25D-4E0A-9A6F-3CEEA7A6964F

Z104501142

3,4-Dihydroxybenzoic acid, Vetec(TM) reagent grade, 97%

PROTOCATECHOIC ACID (CONSTITUENT OF MARITIME PINE)

Protocatechuic acid, primary pharmaceutical reference standard

PROTOCATECHOIC ACID (CONSTITUENT OF MARITIME PINE) [DSC]

Protocatechuic acid, United States Pharmacopeia (USP) Reference Standard

InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11

1225528-47-1

4-HYDROXYBENZOIC ACID

99-96-7

p-Hydroxybenzoic acid

4-Carboxyphenol

p-Salicylic acid

Benzoic acid, 4-hydroxy-

para-Hydroxybenzoic acid

Benzoic acid, p-hydroxy-

p-carboxyphenol

Paraben-acid

4-Hydroxybenzoesaeure

p-Oxybenzoesaure

Kyselina 4-hydroxybenzoova

p-Oxybenzoesaure [German]

4-Hydroxybenzoicacid

NSC 4961

PHBA

parahydroxybenzoic acid

Acido p-idrossibenzoico

4-hydroxy-benzoic acid

Hydroxybenzoic acid

HSDB 7233

Acido p-idrossibenzoico [Italian]

Kyselina 4-hydroxybenzoova [Czech]

EINECS 202-804-9

UNII-JG8Z55Y12H

CCRIS 8812

JG8Z55Y12H

DTXSID3026647

CHEBI:30763

HYDROXYBENZOIC ACID, PARA

p-hydroxy benzoic acid

AI3-01003

p-hydroxy-Benzoic acid

NSC-4961

Benzoic acid, 4-hydroxy

Hydroxybenzenecarboxylic acid

4-HBA

CHEMBL441343

DTXCID806647

FEMA NO. 3986

EC 202-804-9

MFCD00002547

3pcc

3pch

4-hydroxy-benzoate

4-hydroxy benzoic acid

Benzoic acid, p-hydroxy

WLN: QVR DQ

PHB

CAS-99-96-7

NSC4961

SALICYLIC ACID IMPURITY A (EP IMPURITY)

SALICYLIC ACID IMPURITY A [EP IMPURITY]

DB04242

NCGC00166040-01

ACETYLSALICYLIC ACID IMPURITY A (EP IMPURITY)

ACETYLSALICYLIC ACID IMPURITY A [EP IMPURITY]

PROPYL HYDROXYBENZOATE IMPURITY A (EP IMPURITY)

PROPYL HYDROXYBENZOATE IMPURITY A [EP IMPURITY]

METHYL PARAHYDROXYBENZOATE IMPURITY A (EP IMPURITY)

METHYL PARAHYDROXYBENZOATE IMPURITY A [EP IMPURITY]

C00156

p-Salicylate

AE-848/32195059

p-hydroxy-Benzoate

4-hydoxybenzoic acid

4-hyroxybenzoic acid

phenol derivative, 8

4-hydroxylbenzoic acid

4-Hydroxy-benzoesaeure

4-hydroxybenzoi c acid

PHLORETIN_met004

4-hydroxyl benzoic acid

4-Hydroxybenzoate, III

AVOBENZONE_met002

para-hydroxy benzoic acid

bmse000092

bmse000583

SCHEMBL4110

BIDD:ER0706

4-Hydroxybenzenecarboxylic acid

p-Hydroxybenzoic Acid, Reagent

BDBM26194

P-HYDROXYBENZOIC ACID [MI]

CS-D1180

HY-Y0264

STR01287

Tox21_202342

Tox21_303301

AC-008

BBL011981

s3754

STL138745

4-HYDROXYBENZOIC ACID [FHFI]

4-HYDROXYBENZOIC ACID [HSDB]

4-HYDROXYBENZOIC ACID [INCI]

4-Hydroxybenzoic acid, >=99%, FG

AKOS000119033

AM87513

CCG-266143

MCULE-1367764897

NCGC00166040-02

NCGC00257058-01

NCGC00259891-01

H0207

NS00005418

4-Hydroxybenzoic acid, ReagentPlus(R), 99%

EN300-21461

D86505

4-Hydroxybenzoic acid, ReagentPlus(R), >=99%

4-Hydroxybenzoic acid, puriss., >=99.0% (T)

A858402

Q229970

46DD083D-BFD3-4CE1-B2D9-6C6D5FEFD3D9

J-660066

W-100004

4-Hydroxybenzoic acid, Vetec(TM) reagent grade, 99%

2-3-4'-TRIHYDROXY-4-METHOXYBENZOPHENONE_met005

F2191-0237

Z104498098

2-3-DIHYDROXY-4-METHOXY-4'-ETHOXYBENZOPHENONE_met009

4-Hydroxybenzoic acid, certified reference material, TraceCERT(R)

4-Hydroxybenzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material

InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10

30729-36-3

The Henry's Law constant for 4-hydroxybenzoic acid is estimated as 7.2X10-12 atm-cu m/mole(SRC) derived from its extrapolated vapor pressure, 1.9X10-7 mm Hg(1), and water solubility, 5000 mg/L(2). This Henry's Law constant indicates that 4-hydroxybenzoic acid is expected to be essentially nonvolatile from water surfaces(3). 4-Hydroxybenzoic acid's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). In addition, 4-hydroxybenzoic acid's pKa value of 4.54(4) indicates that it will exist almost entirely as an anion at pH values of 5 to 9 and therefore volatilization from water and moist soil surfaces is not expected to be an important fate process(SRC). 4-Hydroxybenzoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AH; J Chem Eng Data 5:196-200 (1960) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 377 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Bykova LN et al; Zh Obshch Khim 40: 2295-300 (1970)

Koc values of 142, 20, and 14 were measured according to a modified version of OECD guideline 106 for 4-hydroxybenzoic acid in a podzol (pH=2.8, C organic=4.85%, sand:silt:clay=89.2:8.2:2.6%), alfisol (pH=6.7, C organic=1.25%, sand:silt:clay=69.7:14.4:15.9%), and a sediment (pH=7.1, C organic=1.58%, sand:silt:clay=5.5:58.8:35.7%), respectively(1). According to a classification scheme(2), these Koc values suggest that 4-hydroxybenzoic acid is expected to have high to very high mobility in soil. The pKa of 4-hydroxybenzoic acid is 4.54(3), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(4).
Literature: (1) Vonoepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bykova LN et al; Zh Obshch Khim 40: 2295-300 (1970) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Homogentisic acid

451-13-8

2,5-Dihydroxyphenylacetic acid

Alcapton

Homogentisate acid

Homogentisinic acid

2-(2,5-dihydroxyphenyl)acetic acid

homogentisate

(2,5-Dihydroxyphenyl)acetic acid

Benzeneacetic acid, 2,5-dihydroxy-

2,5-Dihydroxybenzeneacetic acid

2,5-Dihydroxy-alpha-toluic acid

Melanic acid

2,5-Dihydroxyphenylacetate

2,5-DHPOP

Acetic acid, (2,5-dihydroxyphenyl)-

BRN 2692860

2-(3,6-DIHYDROXYPHENYL)ACETIC ACID

2,5-Dihydroxy-.alpha.-toluic acid

NP8UE6VF08

MFCD00004324

NSC-88940

71694-00-3

2,5-dihydroxy-benzeneacetic acid

EINECS 207-192-7

NSC 88940

UNII-NP8UE6VF08

Homogentisinate

1ajp

4aq6

2,5-Dihydroxy-a-toluate

bmse000200

2,5-Dihydroxy-alpha-toluate

2,5-Dihydroxy-benzeneacetate

4-10-00-01506 (Beilstein Handbook Reference)

2,5-Dihydroxy-a-toluic acid

Homogentisic acid, crystalline

SCHEMBL155333

HOMOGENTISIC ACID [MI]

(2,5-dihydroxyphenyl)-Acetate

Benzeneacetic acid,5-dihydroxy-

DTXSID1060005

Acetic acid,5-dihydroxyphenyl)-

CHEBI:44747

2-(2,5-dihydroxyphenyl)aceticacid

(2,5-dihydroxyphenyl)-Acetic acid

NSC88940

s9352

Homogentisic acid, analytical standard

AKOS004910342

DB08327

1ST40047

AS-19326

SY051598

DB-020087

HY-113283

CS-0059508

D1050

NS00015132

C00544

T70932

A826718

Q416054

W-109536

5A20D3D5-DF92-400D-AB62-07CC3E7DBFBB

HQ9

InChI=1/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12