quercetin

117-39-5

Sophoretin

Meletin

Quercetine

Xanthaurine

Quercetol

Quertine

Quercitin

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one

3,3',4',5,7-Pentahydroxyflavone

Cyanidelonon 1522

Flavin meletin

3,5,7,3',4'-Pentahydroxyflavone

Quertin

T-Gelb bzw. grun 1

C.I. Natural Yellow 10

Quercetin content

Kvercetin

C.I. 75670

C.I. Natural red 1

Cyanidenolon 1522

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one

CI Natural Yellow 10

Corvitin

Korvitin

Lipoflavon

3',4',5,7-Tetrahydroxyflavan-3-ol

C.I. Natural yellow 10 & 13

Flavone, 3,3',4',5,7-pentahydroxy-

NSC 9219

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one

CCRIS 1639

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-

HSDB 3529

NCI-C60106

3'-hydroxykaempferol

CHEBI:16243

NSC9219

3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on

AI3-26018

UNII-9IKM0I5T1E

C15H10O7

NSC-9219

EINECS 204-187-1

9IKM0I5T1E

Quercetin (GMP)

3',4',5,7-tetrahydroxyflavon-3-ol

BRN 0317313

CI 75670

DTXSID4021218

3,3',4,5,7-Pentahydroxyflavone

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one

CHEMBL50

Ci-75670

MFCD00006828

NSC-57655

LDN-0052529

Flavone, 3,4',5,5',7-pentahydroxy-

DTXCID001218

2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one

3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one

Quercetin (constituent of ginkgo)

5-18-05-00494 (Beilstein Handbook Reference)

3,5,7,3',4'-Pentahydroxyflavon

Kvercetin [Czech]

Natural Yellow 10

QUERCETIN (IARC)

QUERCETIN [IARC]

QUERCETIN (USP-RS)

QUERCETIN [USP-RS]

QUE

BRD9794

Dikvertin

BRD-9794

2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-BENZOPYRAN-4-ONE

CAS-117-39-5

3',4',5,7-tetrahydroxyflavonol

3,5,7,3',4'-pentahydroflavone

NSC57655

NSC58588

SR-01000076098

MixCom3_000183

Ritacetin

Quer

Quercetin,

74893-81-5

4dfu

4mra

Quercetin2H2O

Meletin;Sophoretin

Quercetin Phenolic

KUC104418N

KUC107684N

LIM-5662

LNS-5662

TNP00070

TNP00089

Quercetin1540

CI Natural Red 1

KSC-23-76

Quercetin_sathishkumar

KSC-10-126

Quercetin (Sophoretin)

Spectrum_000124

Tocris-1125

3cf8

QUERCETIN [DSC]

QUERCETIN [MI]

BiomolKI_000062

QUERCETIN [HSDB]

QUERCETIN [INCI]

Maybridge1_008992

Prestwick0_000507

Prestwick1_000507

Prestwick2_000507

Prestwick3_000507

Spectrum2_000059

Spectrum3_000642

Spectrum4_000807

Spectrum5_001389

Lopac-Q-0125

QUERCETIN [VANDF]

P0042

C.I. natural yellow 13

BiomolKI2_000068

Enicostemma Littorale Blume

UPCMLD-DP081

Q 0125

QUERCETIN [WHO-DD]

NCIOpen2_007628

NCIOpen2_007882

BIDD:PXR0007

Lopac0_000999

SCHEMBL19723

BSPBio_000433

BSPBio_001068

BSPBio_002243

KBioGR_000408

KBioGR_001293

KBioSS_000408

KBioSS_000584

MLS006011766

BIDD:ER0315

DivK1c_000485

SCHEMBL219729

SPECTRUM1500672

T-GELB BZW, GRUN 1

CU-01000012502-3

SPBio_000217

SPBio_002354

BDBM7460

BPBio1_000477

GTPL5346

MEGxp0_000381

SGCUT00001

3,4',5,7-Pentahydroxyflavone

CI Natural Yellow 10 & 13

NIOSH/LK8760000

UPCMLD-DP081:001

ACon1_000560

HMS501I07

KBio1_000485

KBio2_000408

KBio2_000584

KBio2_002976

KBio2_003152

KBio2_005544

KBio2_005720

KBio3_000775

KBio3_000776

KBio3_001463

3,7,3',4'-Pentahydroxyflavone

NINDS_000485

3',5,7-Tetrahydroxyflavan-3-ol

Bio1_000369

Bio1_000858

Bio1_001347

Bio2_000374

Bio2_000854

HMS1362F09

HMS1792F09

HMS1923O19

HMS1990F09

HMS3263G19

HMS3267M12

HMS3414J21

HMS3649D04

HMS3656C15

HMS3678J19

to_000078

3,4',5,5',7-pentahydroxyflavone

Tox21_202308

Tox21_300285

Tox21_500999

BBL005513

CCG-40054

Flavone,3',4',5,7-pentahydroxy-

HB0542

HY-18085G

LMPK12110004

NSC 57655

NSC324608

NSC756660

s2391

STK365650

Quercetin, >=95% (HPLC), solid

3,4',5,5',7-pentahydroxy-Flavone

AKOS000511724

Quercetin 1000 microg/mL in Acetone

CS-3981

DB04216

DS-3416

LP00999

MCULE-2433372790

NSC-756660

SDCCGSBI-0050972.P003

IDI1_000485

IDI1_002129

LDN 0052529

SMP1_000252

NCGC00015870-01

NCGC00015870-02

NCGC00015870-03

NCGC00015870-04

NCGC00015870-05

NCGC00015870-06

NCGC00015870-07

NCGC00015870-08

NCGC00015870-09

NCGC00015870-10

NCGC00015870-11

NCGC00015870-12

NCGC00015870-13

NCGC00015870-14

NCGC00015870-15

NCGC00015870-16

NCGC00015870-17

NCGC00015870-18

NCGC00015870-19

NCGC00015870-21

NCGC00015870-22

NCGC00015870-23

NCGC00015870-24

NCGC00015870-25

NCGC00015870-28

NCGC00015870-36

NCGC00015870-48

NCGC00015870-50

NCGC00025016-01

NCGC00025016-02

NCGC00025016-03

NCGC00025016-04

NCGC00025016-05

NCGC00025016-06

NCGC00025016-07

NCGC00025016-08

NCGC00168962-01

NCGC00168962-02

NCGC00168962-03

NCGC00168962-04

NCGC00254218-01

NCGC00259857-01

NCGC00261684-01

Quercetin 100 microg/mL in Acetonitrile

AC-19596

AC-29756

HY-18085

NCI60_042036

SMR000112559

SY057722

(+)-3,3',4',5,7-Pentahydroxyflavone

Quercetin, Sophoretin, Meletin, Quercetine

CS-0638666

EU-0100999

LK87600000

NS00001142

Q0025

SW148203-4

Quercetin; 3,3',4',5,7-Pentahydroxyflavone

C00389

EN300-199773

K00029

S00057

QUERCETIN (CONSTITUENT OF GINKGO) [DSC]

WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ

2-(3,4-Dihydroxyphenyl)-4H-1-benzopyran-4-one

Flavone, 3,3',4',5,7-pentahydroxy-, (+)-

Q409478

Q-200333

SR-01000076098-1

SR-01000076098-3

SR-01000076098-7

SR-01000076098-8

BRD-K97399794-001-02-1

BRD-K97399794-001-07-0

BRD-K97399794-001-09-6

BRD-K97399794-001-11-2

BRD-K97399794-335-03-1

SR-01000076098-11

Z57176222

2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate

49643640-FD4C-4B93-BD28-0D7C2021CC52

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one #

(+)-4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-

4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-,zirconium(2+)salt(1:1)

The estimated pKas of 7.17, 8.26, 10.13, 12,30, and 13.11(1) indicate quercetin will partially exist anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Volatilization of quercetin from moist soil surfaces is not expected to be an important fate process because it is an anion and anions do not volatilize(SRC). Quercetin is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.8X10-14 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Feb 14, 2008. (2) 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) 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 quercetin is estimated as 460(SRC), using a water solubility of 60 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that quercetin is expected to have moderate mobility in soil. The estimated pKas of quercetin are 7.17, 8.26, 10.13, 12,30, and 13.11(4), indicating that this compound will partially exist in the anion form in the environment at neutral pH and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Seidell A; Solubilities of Organic Compounds. NY,NY: d. Van Norstrand Co., Inc. (1941) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Feb 14, 2008. (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)

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

ferulic acid

trans-Ferulic Acid

1135-24-6

537-98-4

4-Hydroxy-3-methoxycinnamic acid

trans-4-Hydroxy-3-methoxycinnamic acid

3-(4-Hydroxy-3-methoxyphenyl)acrylic acid

(E)-Ferulic acid

Coniferic acid

ferulate

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-

Ferulic acid, trans-

3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid

(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid

(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

Cinnamic acid, 4-hydroxy-3-methoxy-

3-methoxy-4-hydroxycinnamic acid

Fumalic acid

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2E)-

Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-

(E)-4-Hydroxy-3-methoxycinnamic acid

UNII-AVM951ZWST

(E)-4'-Hydroxy-3'-methoxycinnamic acid

AVM951ZWST

4-Hydroxy-3-methoxy cinnamic acid

EINECS 208-679-7

Cinnamic acid, 4-hydroxy-3-methoxy-, trans-

MFCD00004400

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-

(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

CCRIS 3256

CCRIS 7127

CIS-FERULICACID

CHEBI:17620

(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

HSDB 7663

NSC 2821

NSC-2821

EINECS 214-490-0

NSC 51986

NSC-51986

(2E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acid

NSC 674320

Fumalic acid (Ferulic acid)

4-Hydroxy-3-methoxycinnamate

(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid

(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid

CHEMBL32749

3-(4-Hydroxy-3-methoxyphenyl)propenoic acid

NSC2821

3-Methoxy-4-hydroxy-trans-cinnamate

NSC-674320

97274-61-8

3-methoxy-4-hydroxy-trans-cinnamic acid

(E)-Ferulate

trans-Ferulic Acid (purified by sublimation)

Trans-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

FERULIC ACID (USP-RS)

FERULIC ACID [USP-RS]

CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID

caffeic acid 3-methyl ether

ferulic acid, (E)-isomer

SMR000112202

3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

DTXSID5040673

ferulasaure

Ferulicacid

trans-Ferulate

(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate

CCRIS 7575

trans-FerulicAcid

Ferulic acid, E-

(E)-Coniferic acid

trans-4-Hydroxy-3-methoxycinnamicacid

Ferulic acid (M5)

Ferulic Acid ,(S)

FERULIC-ACID

CURCUMIN_met040

Spectrum5_000554

bmse000459

bmse000587

bmse010211

FERULIC ACID [MI]

trans-Ferulic acid, 99%

FERULIC ACID [HSDB]

FERULIC ACID [INCI]

SCHEMBL15673

BSPBio_003168

MLS001066385

MLS001332483

MLS001332484

MLS002207079

MLS006011435

SPECTRUM1501017

trans-Ferulic acid, >=99%

FERULIC ACID [WHO-DD]

DTXCID3020673

DTXSID70892035

HMS1921D05

HMS2269P04

(E)-4-Hydroxy-3-methoxycinnamate

trans-4-Hydroxy-3-methoxycinnamate

BCP21231

BCP21789

HY-N0060

NSC51986

STR00961

(E)-4-hydroxy-3-methoxy-Cinnamate

TRANS-FERULIC ACID [WHO-DD]

(E)4-hydroxy-3-methoxycinnamic acid

AC7905

BBL010345

BDBM50214744

CCG-38860

s2300

STK801551

AKOS000263735

AC-7965

BCP9000163

DB07767

PS-3435

SDCCGMLS-0066667.P001

trans-3-methoxy-4-hydroxycinnamic acid

(E)-4-hydroxy-3-methoxy-Cinnamic acid

3-(4-Hydroxy-3-methoxyphenyl)propenoate

4-Hydroxy-3-methoxycinnamic acid, trans

NCGC00094889-01

NCGC00094889-02

NCGC00094889-03

NCGC00094889-04

1ST40035

AC-10321

BS-17543

SMR004703246

AM20060784

CS-0007108

F1257

H0267

NS00068201

SW219616-1

EN300-16798

C01494

F-2000

A829775

FERULIC ACID (CONSTITUENT OF BLACK COHOSH)

Q417362

SR-01000765539

(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate

(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoicacid

J-002980

SR-01000765539-3

Z56782558

(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoic acid

FERULIC ACID (CONSTITUENT OF BLACK COHOSH) [DSC]

055E203F-B305-4B7F-8CE7-F9C0C03AB609

2',4-DIHYDROXY-3,4',6'-TRIMETHOXYCHALCONE_met028

3986A1BE-A670-4B06-833B-E17253079FD8

Ferulic acid, European Pharmacopoeia (EP) Reference Standard

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

Ferulic acid, United States Pharmacopeia (USP) Reference Standard

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

Ferulic Acid, Pharmaceutical Secondary Standard; Certified Reference Material

InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13

Ferulic acid, with a pKa of 4.58(1), will almost entirely exist in the anion form in the environment at pH values of 5 to 9, and therefore ferulic acid is expected to be essentially nonvolatile from water surfaces and moist soil(2). Ferulic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.7X10-6 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chem Data Ser No.23. NY,NY: Pergamon pp. 989 (1979) (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)

In water, 5.97X10+3 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Oct 27, 2008: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

The Koc of ferulic acid is estimated as 57(SRC), using a log Kow of 1.51(1)(SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ferulic acid is expected to have high mobility in soil. The pKa of ferulic acid is 4.58(4), indicating that this compound will almost entirely exist in the anion form in the environment. Anions generally do not adsorb more strongly to soils containing organic carbon and clay, in comparison with their neutral counterparts(5).
Literature: (1) Hansch et al; Exploring QSAR: Hydrophobic, Electronic and Steric Constants. Washington, DC: Amer Chem Soc pp.99 (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: 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)

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