PHENYLETHYLENECARBOXYLIC ACID

Benzenepropenoic acid

Benzylideneacetic acid

Acidum cinnamylicum

Benzeneacrylic acid

Zimtsaeure

Phenylacrylic acid

WBYWAXJHAXSJNI-VOTSOKGWSA-N

Cinnamylic acid

Isocinnamic acid

PhCH=CHCO2H

trans-beta-Carboxystyrene

trans-Cinnamate

trans-Zimtsaeure

beta-Phenylacrylic acid

CINNAMIC ACID

trans-b-Carboxystyrene

Cinnamic Acid Natural

trans-3-Phenylpropensaeure

trans cinnamic acid

TRANS-CINNAMIC ACID

Zimtsaeure | trans-Cinnamate

3-Phenylpropenoic acid

trans-3-Phenylacrylate

3-Phenylacrylic acid

E-Cinnamic Acid

t-Cinnamic acid

trans-3-Phenylacrylic acid

trans-Cinnamic acid, analytical standard

AC1L9GI1

AC1Q5T9E

AC1Q71HQ

E-3-phenylpropenoic acid

Zimtsaeure [German]

Kyselina skoricove [Czech]

SCHEMBL1332

trans-.beta.-Carboxystyrene

.beta.-Phenylacrylic acid

GTPL3203

M182

(E)-cinnamate

CHEMBL27246

Cinnamic acid (natural)

NSC9189

PubChem13612

BDBM16430

HMDB00930

N1877

tert-.beta.-Phenylacrylic acid

AS07055

BIDD:ER0586

LS00072

NE10311

NSC44010

RP17351

STR00363

WLN: QV1U1R

(E)-Cinnamic acid

3-Phenyl-2-propenoic acide

3-phenyl-2E-propenoic acid

bmse000124

C00423

C10438

CCRIS 3190

Cinnamic acid, E-

trans-3-Phenyl-2-propenoate

trans-Cinnamic acid, >=99%

U14A832J8D

(E)-3-Phenylacrylate

3-Phenyl-2-propenoic acid

3-phenylprop-2-enoic acid

AK114507

BT000153

DTXSID5022489

LS-2626

NSC 9189

NSC-9189

NSC623441

OR034426

OR195269

SBB028745

ST097455

STK286093

trans-Cinnamic acid, 97%

trans-Cinnamic acid, 99%

A833631

CHEBI:27386

CHEBI:35697

Cinnamic acid, United States Pharmacopeia (USP) Reference Standard

DSSTox_CID_2489

trans-3-Phenyl-2-propenoic acid

UNII-U14A832J8D

(E)-3-Phenylacrylic acid

4CN-0914

AB1002037

AJ-68078

AK-47839

AN-21994

AN-23168

BP-20203

DSSTox_GSID_22489

KB-61966

KB-76099

LS-54015

NSC 44010

NSC-44010

SC-24646

DSSTox_RID_76603

MFCD00004369

ZINC16051516

(2E)-3-phenylacrylic acid

AI3-00891

AI3-23709

CCG-214473

DB-003797

NSC-623441

RTR-005227

RTR-021011

ST24024695

TR-005227

TR-021011

AKOS000118871

I01-8768

Q-100150

S01-0256

W-105037

(E)-3-phenyl-acrylic acid

BRN 0507757

BRN 1905952

FEMA No. 2288

FT-0623829

FT-0655071

trans-Cinnamic acid, >=99%, FG

Cinnamic acid, (E)-

Tox21_112279

Tox21_302137

(E)-3-phenylprop-2-enoate

140-10-3

621-82-9

F2191-0134

(2E)-2-Phenyl-2-propenoate

(2E)-3-Phenyl-2-propenoate

(E)-3-Phenyl-2-propenoic acid

(E)-3-phenylprop-2-enoic acid

9045-22-1

NCGC00165979-01

NCGC00255114-01

AB00374254-03

CAS-140-10-3

EINECS 205-398-1

EINECS 210-708-3

(2E)-2-Phenyl-2-propenoic acid

(2E)-3-Phenyl-2-propenoic acid

(2E)-3-phenylprop-2-enoic acid

63938-16-9

SR-05000002380

trans-Cinnamic acid, 99% 100g

MolPort-000-881-745

trans-Cinnamic acid, natural, >=99%, FCC, FG

SR-05000002380-1

trans-Cinnamic acid, purum, >=99.0% (T)

2-Propenoic acid, 3-phenyl-, (E)-

4-09-00-02002 (Beilstein Handbook Reference)

2-Propenoic acid, 3-phenyl-, (2E)-

1BE36587-A165-4142-9340-18FFE3E03426

InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6

Benzenecarboxylate

Carboxypolystyrene

Benzenemethanoate

Benzeneformate

Carboxybenzene

benzenecarboxylic acid

Benzenemethanoic acid

Benzoesaeure

phenylcarboxy

Phenylcarboxylic acid

Phenylformate

Benzenemethonic acid

Benzoicacid

Benzeneformic acid

Diacylate

Dracylate

Kyselina benzoova

phenylformic acid

Retardex

Tennplas

WPYMKLBDIGXBTP-UHFFFAOYSA-N

Acide benzoique

Aromatic carboxylic acid

Benzoesaeure GK

Benzoesaeure GV

Acido benzoico

Aromatic acid

Benzoic acid,medicinal

Diacylic acid

Dracylic acid

Oracylic acid

Phenyl carboxylic acid

ScavengePore™ benzoic acid

benzoic acid

Benzoic acid Natural

BOX

Natural Benzoic Acid

Retarded BA

Retarder BA

Retarder BAX

Salvo liquid

Salvo powder

Solvo powder

Unisept BZA

Flowers of benjamin

Flowers of benzoin

phenyl formic acid

Sodium benzoic acid

Tenn-Plas

1gyx

1kqb

Benzoic Acid USP

Benzoic acid, analytical standard

MP Benzoic acid

8SKN0B0MIM

Benzoesaeure [German]

CHEMBL541

Salvo, liquid

Solvo, powder

AC1L18SV

AC1Q73KP

Benzoic acid, meets USP testing specifications

BENZOIC ACID, ACS

Benzoic acid, ammonium salt

Benzoic acid, tech

C7H6O2

HA 1

NSC149

SCHEMBL1378

UNII-8SKN0B0MIM

WLN: QVR

Acide benzoique [French]

Acido benzoico [Italian]

E210

K073

KSC352Q8R

Kyselina benzoova [Czech]

ZINC1011

ACMC-1BI02

ARONIS27062

Benzoate (VAN)

Benzoic acid (natural)

Benzoic acid / Benzoate

NSC7918

B0062

B2635

BENZOIC ACID- D5

Benzoic acid, pharmaceutical secondary standard; traceable to USP

CTK2F2888

HMDB01870

HSDB 704

AS04617

Benzoic acid, tech.

BIDD:ER0597

DB03793

LS-280

LS41489

NE10192

NSC 149

NSC-149

RL04514

SAMPL4, O1

BDBM197302

Benzoic acid (TN)

BENZOIC ACID,99%,EXTRA PURE

bmse000300

C00180

C00539

CCRIS 1893

D00038

DSSTox_CID_143

E 210

HMS2092F18

HMS2267D03

HMS3652B03

AK109354

Benzoic acid [USAN:JAN]

Benzoic acid, European Pharmacopoeia (EP) Reference Standard

BS-3752

BT000118

DTXSID6020143

NSC758203

OR033950

OR320218

OR321743

SBB040515

STK301730

A835250

Benzoic acid [USP:JAN]

CHEBI:30746

PHENYL, 4-CARBOXY-

4CN-0999

AB1002068

AI3-0310

AJ-07949

AN-22195

AN-23749

ANW-35104

ANW-44013

Benzoic acid, United States Pharmacopeia (USP) Reference Standard

BP-30148

DSSTox_GSID_20143

KB-75310

SC-46861

TRA0015745

TRA0068106

Caswell No. 081

DSSTox_RID_75396

MFCD00002398

MFCD03456189

AI3-03710

Benzoic acid, purified by sublimation, >=99%

CCG-213088

DB-029471

HA 1 (acid)

NSC-758203

RT-004576

RTR-032704

ST24030107

ST45061539

TR-035735

AKOS000119619

Benzoic acid (JP17/USP)

Benzoic acid, AR, >=99%

Benzoic acid, LR, >=99%

Benzoic acid, tested according to Ph.Eur.

EPA Pesticide Chemical Code 009101

Epitope ID:139965

I01-1943

Z57127480

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

FEMA No. 2131

FT-0622705

MLS002415717

SMR001252220

65-85-0

Tox21_202403

Tox21_300180

Benzoic acid, ReagentPlus(R), 99%

F2191-0092

CAS-65-85-0

Melting point standard 121-123C, analytical standard

8013-63-6

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

Benzoic acid, ACS reagent, >=99.5%

MCULE-4467353796

NCGC00091886-01

NCGC00091886-02

NCGC00091886-03

NCGC00254112-01

NCGC00259952-01

AB00949635_05

AB00949635_06

EINECS 200-618-2

Benzoic acid, 99% 250g

Benzoic acid, SAJ special grade, >=99.5%

Pharmakon1600-01503001

606-EP2269610A2

606-EP2269988A2

606-EP2270002A1

606-EP2270006A1

606-EP2270008A1

606-EP2270009A1

606-EP2270010A1

606-EP2270011A1

606-EP2270114A1

606-EP2272822A1

606-EP2272827A1

606-EP2272848A1

606-EP2274983A1

606-EP2275105A1

606-EP2275401A1

606-EP2275413A1

606-EP2277507A1

606-EP2277848A1

606-EP2277867A2

606-EP2277870A1

606-EP2277879A1

606-EP2277881A1

606-EP2280003A2

606-EP2280010A2

606-EP2281559A1

606-EP2281563A1

606-EP2281812A1

606-EP2281819A1

606-EP2281823A2

606-EP2284146A2

606-EP2284147A2

606-EP2284149A1

606-EP2284160A1

606-EP2284165A1

606-EP2284169A1

606-EP2284178A2

606-EP2284179A2

606-EP2286795A1

606-EP2287153A1

606-EP2287156A1

606-EP2287161A1

606-EP2287162A1

606-EP2287165A2

606-EP2287166A2

606-EP2289510A1

606-EP2289876A1

606-EP2289883A1

606-EP2289890A1

606-EP2292592A1

606-EP2292597A1

606-EP2292617A1

606-EP2292619A1

606-EP2292620A2

606-EP2292621A1

606-EP2292624A1

606-EP2295401A2

606-EP2295402A2

606-EP2295416A2

606-EP2295418A1

606-EP2295424A1

606-EP2295426A1

606-EP2295427A1

606-EP2295429A1

606-EP2295433A2

606-EP2295438A1

606-EP2295550A2

606-EP2298734A2

606-EP2298735A1

606-EP2298742A1

606-EP2298744A2

606-EP2298748A2

606-EP2298755A1

606-EP2298758A1

606-EP2298759A1

606-EP2298772A1

606-EP2298776A1

606-EP2298783A1

606-EP2301536A1

606-EP2301538A1

606-EP2301911A1

606-EP2301924A1

606-EP2301925A1

606-EP2301929A1

606-EP2301931A1

606-EP2301935A1

606-EP2301937A1

606-EP2301939A1

606-EP2301940A1

606-EP2305250A1

606-EP2305257A1

606-EP2305646A1

606-EP2305651A1

606-EP2305659A1

606-EP2305662A1

606-EP2305664A1

606-EP2305668A1

606-EP2305669A1

606-EP2305672A1

606-EP2305674A1

606-EP2305675A1

606-EP2305679A1

606-EP2305687A1

606-EP2308833A2

606-EP2308839A1

606-EP2308848A1

606-EP2308851A1

606-EP2308854A1

606-EP2308857A1

606-EP2308858A1

606-EP2308861A1

606-EP2308865A1

606-EP2308873A1

606-EP2308875A1

606-EP2308877A1

606-EP2311455A1

606-EP2311801A1

606-EP2311802A1

606-EP2311803A1

606-EP2311807A1

606-EP2311809A1

606-EP2311810A1

606-EP2311811A1

606-EP2311815A1

606-EP2311816A1

606-EP2311817A1

606-EP2311818A1

606-EP2311831A1

606-EP2311842A2

606-EP2314295A1

606-EP2314579A1

606-EP2314584A1

606-EP2314588A1

606-EP2314593A1

606-EP2316457A1

606-EP2316458A1

606-EP2316459A1

606-EP2316825A1

606-EP2316826A1

606-EP2316827A1

606-EP2316828A1

606-EP2316836A1

606-EP2371814A1

606-EP2371831A1

606-EP2372017A1

606-EP2374788A1

606-EP2377845A1

Benzoic acid, SAJ first grade, >=99.5%

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

SR-05000001919

117500-35-3

331473-08-6

SBI-0206720.P001

MolPort-000-871-563

Benzoic acid, >=99.5%, FCC, FG

S4161,65-85-0

Benzoic acid, p.a., 99.5%

SR-05000001919-1

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

S4162,121-54-0

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

Benzoic acid on polystyrene, 1.6-2.1 mmol/g

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

Benzoic acid, USP, 99.5-100.5%

0BE368DC-6DE6-4927-AECF-E4BB2968A4A0

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

Benzoic acid，4-fluoro-2,6-dimethyl-， methyl ester

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

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

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

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

Carboxypolystyrene, 100-200 mesh, extent of labeling: 0.5-1.5 mmol/g loading, 1 % cross-linked

Carboxypolystyrene, 100-200 mesh, extent of labeling: 1.6-3.0 mmol/g loading, 1 % cross-linked

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

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

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)

Cianidanolum

Dexcyanidanol

Biocatechin

Catechinate

Catechuate

Cianidanol

Cyanidanol

Procyanidin polymer

CATECHIN

Catergen

Cianidol

PFTAWBLQPZVEMU-DZGCQCFKSA-N

Transepar

Catechinic acid

Catechu

Gambier

Catechuic acid

Katha

Zyma

KXN

D-Catechin

D-Catechol

Catechine dl-form

Cyanidanol-3

AC1L1S8M

CATECHIN, D

Teafuran 30A

Catechin (flavan)

Catechol (flavan)

4c94

Cianidanolum [INN-Latin]

Prestwick_998

6282AF

KB 53

KB-53

NSC2819

SCHEMBL19741

8R1V1STN48

BDBM23416

BDBM60836

Cianidanol [INN:JAN]

Cutch (dye)

HMDB02780

HMS502A09

BIDD:ER0378

C15H14O6

CHEMBL311498

LP00219

Sunkatol No. 1

TNP00270

2,3-trans-catechin

C06562

CCRIS 6855

HMS1570A05

HMS1570D15

HMS2097A05

HMS3260L19

UNII-8R1V1STN48

ZINC119983

(+)-Cianidanol

(+)-Cyanidanol

2,3-Dihydro-4-desoxoquercetin

BC202817

BT000433

CS-3759

DR001090

DTXSID3022322

Epicatechin-(-)

HE314273

HE349313

HY-N0898

ND-0342

NSC 2819

NSC-2819

NSC755824

ST057176

ZB004048

(+)-catechin

(+)-Catechol

A809512

C 1251

Catechol (+)

CHEBI:15600

Spectrum_000395

Z 7300

(+)-Catechin Hydrate

AC-11608

AJ-11643

AK-77017

AN-44045

ANW-46737

AX8035583

BSPBio_000643

BSPBio_001624

CCG-40007

KBioGR_002245

KBioSS_000875

LS-39923

LS-53711

SC-46023

ST2407915

LMPK12020001

MFCD00075649

MFCD00149354

NINDS_000647

Prestwick0_000642

Prestwick0_000817

Prestwick1_000642

Prestwick1_000817

Prestwick2_000642

Prestwick2_000817

Prestwick3_000642

SPBio_000033

SPBio_002564

SPBio_002634

Spectrum2_000167

Spectrum3_000242

Spectrum4_001763

Spectrum5_000345

UNII-5J4Y243W61 component PFTAWBLQPZVEMU-DZGCQCFKSA-N

ZINC00119983

(+)-Catechin, analytical standard

(2R,3S)-Catechin

AI3-22757

C.I. Natural Brown 3

cid_107957

NSC-755824

ST24039239

TC-135482

( -)-Catechin

ACon1_001489

AKOS015960546

BPBio1_000709

D-(+)-Catechin

DivK1c_000647

Epitope ID:116872

KBio1_000647

KBio2_000875

KBio2_003443

KBio2_006011

KBio3_001124

Lopac0_000219

Q-100183

(+)-Cyanidanol-3

EU-0100219

FT-0636422

IDI1_000647

MLS001056745

SMR000326724

(+)-Cyanidol-3

trans3,3,4,5,7 pentahydroxyflavane

NATURAL BROWN 3 (CUTCH EXTRA OR GAMBIER)

NCI60_002303

Tox21_500219

YK-85 Light Yellow Powder 85

(+/-)-Catechin

154-23-4

3,3',4',5,7-Pentahydroxyflavane

321-01-7

catechin, (+)-

(+)-Cyanidan-3-ol

(+/-)-Catechin hydrate

Catechin-(+,-) hydrate

4211-28-3

5323-80-8

7295-85-4

MCULE-1532117250

NCGC00017331-01

NCGC00017331-02

NCGC00017331-03

NCGC00017331-04

NCGC00017331-05

NCGC00093689-01

NCGC00093689-02

NCGC00093689-03

NCGC00260904-01

3,3',4',5,7 Cflavanpentol

3,3',4',5,7-Flavanpentol

AB00051886_13

EINECS 205-825-1

EINECS 230-731-2

16198-00-8

Pharmakon1600-00210205

SDCCGMLS-0066526.P001

3-Cyanidanol, (+)-

SR-01000075742

(+)-Catechin, United States Pharmacopeia (USP) Reference Standard

100786-01-4

159761-73-6

225937-10-0

SBI-0050207.P003

MolPort-001-740-277

(2R,3S)-(+)-Catechin

SR-01000075742-14

2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol

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

2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol #

trans-(+)-3,3',4',5,7-Flavanpentol

(2R,3S)-3,3',4',5,7-Flavanpentol

BRD-K58736316-001-07-9

( )-2-(3,4-Dihydroxyphenyl)-3,5,7-chromantriol

(+)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromantriol

(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol

(3S,2R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol

D4A04A57-7609-451F-A446-53F4DFAD15F5

(2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol

(2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol;hydrate

(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol

(+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol

(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol

trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

2-(3,4-dihydroxyphenyl)-3,4-dihydro-(2r-trans)-2h-1-benzopyran-7-triol

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

(2R-trans)-2-(3,4-Dihydroxyphenyl)-3-4-dihydro-2H-1-benzopyran-3,5,7-triol

(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans)

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;hydrate

(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol

(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate

[2r,3s]-2-[3,4-dihydroxyphenyl]-3,4-dihydro-1[2h]-benzopyran-3,4,7-triol

2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-

2H-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-

2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-

2H-1-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-

InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s

GALLICACID

LNTHITQWFMADLM-UHFFFAOYSA-N

gallate

gallic acid for microelectronic industrial

Gallicum acidum

Kyselina gallova

GALOP

Gallic acid

GALLIC ACID ANHYDROUS

GDE

Gallic Acid Hydrate

Gallic acid polymer

Pyrogallol-5-carboxylic acid

Gallic acid tech.

Gallic acid, tech

3,5-Trihydroxybenzoic acid

AC1Q732X

AC1Q732Y

GTPL5549

KSC175M1R

Kyselina gallova [Czech]

ZINC1504

ACMC-20aku5

ARONIS23903

CG0029

Gallic Acid, F

SCHEMBL15012

CTK0H5618

G0011

HMDB05807

N1830

SPECTRUM210369

T7419

3,4,5-Trihydroxybenzoate

AC1L1934

BIDD:ER0374

CHEMBL288114

CPD-183

Gallic acid, tech.

Kyselina 3,4,5-trihydroxybenzoova

LS-870

NSC20103

NSC36997

RP23206

632XD903SP

bmse000389

C01424

CCRIS 5523

DSSTox_CID_650

Gallic acid [NF]

HMS1923K07

HMS2091A07

HSDB 2117

(?)-Gallic acid

AC-1206

BBL009937

BC200279

BT000209

CA007911

DNC007143

DTXSID0020650

EBD679760

Jsp002851

NSC674319

NSC755825

OR182652

PS-8710

SBB008781

ST083487

STK298718

3,4,5-Trihydroxybenzoic acid

CHEBI:30778

SpecPlus_000307

Spectrum_000342

UNII-632XD903SP

3,4,5-trihydroxy-Benzoate

4CN-0954

AB1002218

AJ-08037

AK-65266

AN-15162

BSPBio_001668

CCG-38670

DSSTox_GSID_20650

Gallic acid, certified reference material, TraceCERT(R)

KBioGR_002008

KBioSS_000822

NSC 20103

NSC-20103

NSC-36997

SC-46383

ST2404570

BB_SC-2795

BDBM50085536

Benzoic acid,4,5-trihydroxy-

DSSTox_RID_75711

MFCD00002510

SPBio_000617

Spectrum2_000399

Spectrum3_000254

Spectrum4_001544

Spectrum5_000108

WLN: QVR CQ DQ EQ

3,4,5-Trihydroxybenzoic acid, anhydrous

AI3-16412

NSC 674319

NSC-674319

NSC-755825

RTR-020762

TR-020762

3,4,5-trihydroxy-Benzoic acid

3,4,5-Trihydroxybenzoic acid;

AKOS000119625

DivK1c_006403

I14-9302

KBio1_001347

KBio2_000822

KBio2_003390

KBio2_005958

KBio3_001168

Oprea1_087792

Q-201146

3,4,5-Trihydroxybenzoate, X

BRN 2050274

FT-0655615

Z966690556

5-Carboxybenzene-1,2,3-triol

Kyselina 3,4,5-trihydroxybenzoova [Czech]

Tox21_111089

Tox21_202515

138-57-8

149-91-7

F1908-0156

MCULE-1552954312

NCGC00091125-01

NCGC00091125-02

NCGC00091125-03

NCGC00091125-04

NCGC00091125-05

NCGC00091125-07

NCGC00260064-01

AB00052697_03

CAS-149-91-7

EINECS 205-749-9

Benzoic acid, 3,4,5-trihydroxy-

Pharmakon1600-00210369

SDCCGMLS-0066503.P001

SR-05000001537

Tox21_111089_1

Gallic acid, puriss., 98.0%

SBI-0052184.P002

MolPort-000-881-260

SR-05000001537-3

Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih

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

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

Gallic acid, 97.5-102.5% (titration)

BRD-K77345217-001-01-9

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

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

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)

Dihydroxybenzoicacid

Carboxyhydroquinone

Hydroquinonecarboxylic acid

Gentinatre

Gentisinate

Kyselina gentisinova

Acidum gentisicum

Gensigen

Gensigon

Gentalpin

Gentasol

Gentidol

Gentisan

Gentisate

Gentisod

Legential

Nagentis

WXTMDXOMEHJXQO-UHFFFAOYSA-N

2-Carboxyhydroquinone

Acide gentisique

Acido gentisico

Casate

Gabail

Gensalate sodium

GENTISATE SODIUM

Gentisinic acid

Nagent

Casate sodium

GENOP

gentisic acid

Gentisinic acid polymer

GTQ

Sodium-Gent

5-Hydroxysalicylic acid

2,5dihydroxybenzoic acid

5-hydroxy-Salicylate

3,6-Dihydroxybenzoate

5-hydroxy-Salicylic acid

AC1Q72IE

Kyselina 2,5-dihydroxybenzoova

Kyselina gentisinova [Czech]

Acido 2,5-diidrossibenzoico

ACMC-1AP4E

CHEMBL1461

SCHEMBL3690

2,5-DIHYDROXYBENZOIC ACID

2,5-Dioxybenzoate

3,6-dihydroxybenzoic acid

AC1L1G08

KSC236E9L

ZINC1507

NSC8512

PubChem14414

Resorcyllic acid, alphaodium 2,5-dihydroxybenzoate

Sodium Gentisate (gentisic acid)

2,5-Dioxybenzoic acid

Acide gentisique [INN-French]

Acido gentisico [INN-Spanish]

Acidum gentisicum [INN-Latin]

CTK1D6295

D0569

D2933

HMDB00152

HMS501K20

VP36V95O3T

2,5-Dihydroxybenzoic acid, analytical standard

AS04641

Gentisic acid [INN]

NSC27224

NSC49098

RP21805

VZ22769

2,5-Dhba

2,5-Dihydroxy benzoic acid

2,5-dihydroxy-benzoic acid

BENZOIC ACID,2,5-DIHYDROXY

bmse000326

C00628

UNII-VP36V95O3T

2,5-Dihydroxybenzoate, VI

BBL013232

DTXSID4060078

OR001424

OR182149

OR182150

OR265809

OR273360

PS-6232

SBB058777

STK426343

WLN: QVR BQ EQ

CHEBI:17189

K-9198

Salicylic acid, 5-hydroxy-

Spectrum_001241

2-Carboxybenzene-1,4-diol

AC-23625

AJ-08040

AK-49825

AN-15435

AN-21385

ANW-30725

BSPBio_003051

CCG-40154

KB-67554

KBioGR_002487

KBioSS_001721

Kyselina 2,5-dihydroxybenzoova [Czech]

LS-71157

NSC 27224

NSC-27224

NSC-49098

SC-46608

ST2415865

TRA0007893

Acido 2,5-diidrossibenzoico [Italian]

BB_NC-2255

BDBM50335808

Benzoicacid, 2,5-dihydroxy-

MFCD00002460

NINDS_000538

SPBio_000846

Spectrum2_000773

Spectrum3_001326

Spectrum4_001821

Spectrum5_000581

AI3-60431

CS-W001179

DB-051598

NCIOpen2_000913

RTC-063574

ST50824443

TC-063574

AKOS003267857

DivK1c_000538

I01-0126

KBio1_000538

KBio2_001721

KBio2_004289

KBio2_006857

KBio3_002271

Oprea1_039290

W-106033

BRN 2209119

FT-0610382

IDI1_000538

MLS002207134

SMR000393742

2,5-Dihydroxybenzoic acid, 98%

Benzoic acid, 2,5-dihydroxy-

PHENOXY, 2-CARBOXY-4-HYDROXY-

Z275164274

EN300-81715

490-79-9

MCULE-7171470745

NCGC00178325-01

EINECS 207-718-5

MolPort-001-508-497

AE-562/40605400

4955-90-2 (mono-hydrochloride salt)

4-10-00-01441 (Beilstein Handbook Reference)

2,5-Dihydroxybenzoic acid, matrix substance for MALDI-MS, >99.0% (HPLC)

26A2CD0F-7EBD-431F-8BDA-168766205AE1

2,5-Dihydroxybenzoic acid, matrix substance for MALDI-MS, >=99.5% (HPLC), Ultra pure

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

Cannabiscetin

IKMDFBPHZNJCSN-UHFFFAOYSA-N

myricetin

Myricetol

Myricitin

Myricetin, primary pharmaceutical reference standard

MYC

Myricetin-Supplied by Selleck Chemicals

Myricetin, analytical standard

4gqr

AC1NQYV4

CHEMBL164

76XC01FTOJ

Myricetin from Myrica cerifera leaf and bark

2o63

Prestwick_342

BS0289

CM0160

GL5441

SCHEMBL19302

UNII-76XC01FTOJ

BDBM15236

HMDB02755

M2131

Myricetin, Cannabiscetin, Myricetol, Myricitin)

N1850

S2326_Selleck

AN-939

BIDD:ER0142

BIDD:PXR0079

DB02375

LP00740

TNP00286

C10107

CCRIS 5838

HMS1569M12

HMS2096M12

HMS2231L04

HMS3262C22

HMS3656I05

HSDB 7682

S00115

AC-4533

AK111247

BBL023468

BC201817

Bio-0838

BT000486

CS-6221

DR001388

DTXSID8022400

HE280297

HE349008

KS-5268

NSC407290

ST057235

STL284709

A829320

CHEBI:18152

M 6760

M-1214

SpecPlus_000531

Spectrum_001501

ZINC3874317

4CN-1085

AB0149714

AJ-46397

AX8140581

BSPBio_000570

HY-15097

KBioGR_001884

KBioSS_001981

Lopac-M-6760

LS-69005

LMPK12110001

MFCD00006827

Prestwick0_000465

Prestwick1_000465

Prestwick2_000465

Prestwick3_000465

SPBio_002509

Spectrum4_001272

Spectrum5_000692

ZINC03874317

CCG-204825

Myricetin, >=96.0%, crystalline

NSC 407290

NSC-407290

ST24041172

TR-018746

ACon1_000267

AKOS015903103

BPBio1_000628

DivK1c_006627

KBio1_001571

KBio2_001981

KBio2_004549

KBio2_007117

Lopac0_000740

MEGxp0_000357

Q-100601

BRN 0332331

cid_5281672

EU-0100740

FT-0672573

MLS002153825

MLS006010718

SMR001233193

I14-19097

NCI60_003870

Tox21_500740

3,7,3',4',5'-Hexahydroxyflavone

529-44-2

REGID_for_CID_5281672

MCULE-6299186219

Myricetin, >=96.0% (HPLC)

NCGC00015697-01

NCGC00015697-02

NCGC00015697-03

NCGC00015697-04

NCGC00015697-05

NCGC00015697-06

NCGC00015697-07

NCGC00015697-08

NCGC00015697-09

NCGC00015697-10

NCGC00015697-11

NCGC00015697-12

NCGC00015697-13

NCGC00094083-01

NCGC00094083-02

NCGC00094083-03

NCGC00094083-04

NCGC00179517-01

NCGC00179517-02

NCGC00261425-01

CAS-529-44-2

EINECS 208-463-2

3,3',4',5,5',7-Hexahydroxyflavone

3,5,7,3',4',5'-Hexahydroxyflavone

MolPort-001-740-532

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

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

C07E0ED2-ABF6-4BD3-A2B2-A98CAEF20FD1

FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-

3,3 ,4 ,5,5 ,7-Hexahydroxyflavone

BRD-K43149758-001-04-5

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

3,3',4',5,5',7-hexahydroxy-(8CI)- flavone

3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one

3,?5,?7-?TRIHYDROXY-?2-?(3,?4,?5-?TRIHYDROXYPHENYL)-?4H-?1-?BENZOPYRAN-?4-?ONE

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

3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

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

3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one #

2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE

3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one

3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one

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

4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI)

Sparingly soluble in boiling water; soluble in alcohol. Practically insoluble in chloroform, acetic acid
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1095
Literature: #In water, 54.9 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from, as of Feb 4, 2009: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

protocatechuate

Protacatechuic Acid

protocatechuic acid

Protocatechuic acid polymer

Protocatechuic acid, primary pharmaceutical reference standard

Protocatehuic acid

YQUVCSBJEUQKSH-UHFFFAOYSA-N

beta-Resorcylate

b-Resorcylate

Oxidative polymer of protocatechuic acid

1ykp

4fht

AC1Q5TRL

Pyrocatechol-4-carboxylic Acid

3,4-Dihydroxybenzoicacid

Catechol-4-carboxylic Acid

3,4-dihydroxybenzoes

3,4-DIACETOXY-BENZOICACID

3,4-DIHYDROXYBENZOIC ACID

4,5-Dihydroxybenzoic acid

AC1L18F1

AC1Q732Z

KSC486M3D

ACMC-209scu

CHEMBL37537

cid_72

CP0105

SCHEMBL39435

36R5QJ8L4B

CTK3I6631

HMDB01856

N2466

ZINC13246

3,4-Dihydroxybenzoic acid, analytical standard

ACT07872

DB03946

NSC16631

Protocatechuic acid (M1)

Protocatechuic acid, United States Pharmacopeia (USP) Reference Standard

RP21802

3, 4-Dihydroxybenzoic acid

3,4-Dihydroxy Benzoic Acid

3,4-dihydroxy-benzoic acid

3,4-Dihydroxybenzoate, VIII

bmse000328

C00230

CCRIS 6291

HMS2270A17

KUC104409N

UNII-36R5QJ8L4B

4-Carboxy-1,2-dihydroxybenzene

AC-9617

BBL012232

BT000176

CS-6092

DTXSID4021212

HY-N0294

LS-7685

OR021858

OR382759

SBB061371

STL163570

CHEBI:36062

D-3487

DSSTox_CID_1212

M-3133

3,4-dihydroxybenzoic acid (protocatechuic acid)

AB0008267

AB1002236

AJ-08357

AK-47644

ANW-41020

BR-47644

DSSTox_GSID_21212

KB-28323

NSC 16631

NSC-16631

SC-46684

ST2417248

TRA0078616

ACN-S002778

BB_NC-2256

BDBM50100861

DSSTox_RID_76012

MFCD00002509

AM20060767

CCG-207950

DB-021903

KB-234038

RTR-032902

ST50824448

TR-032902

AKOS000119632

I01-2896

BRN 1448841

FT-0600028

KSC-10-128

MLS000737807

SMR000528167

99-50-3

Benzoic acid, 3,4-dihydroxy-

Tox21_200167

CAS-99-50-3

MCULE-8964889860

NCGC00246757-01

NCGC00246757-02

NCGC00257721-01

EINECS 202-760-0

MolPort-000-881-444

3,4-Dihydroxybenzoic acid, 97% 25g

AE-562/40524392

Benzoic acid, 3,4-dihydroxy- (9CI)

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

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

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

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

Benzenetriol

pyrogallol

Pyrogallol polymer

WQGWDDDVZFFDIG-UHFFFAOYSA-N

pyrogallic acid

Piral

Pyro

Pyrogallol, analytical standard

PYROP

fourrine PG

GMN

PYG

Pyrogallol;

Fouramine Brown AP

AC1L1AMQ

AC1Q7AKK

fouramine base ap

PYROGALLOL, ACS

Pyrogallol, ACS reagent

1,3-Trihydroxybenzen

1,3-Trihydroxybenzene

fourrine 85

2,3-Dihydroxyphenol

ACMC-1AG9D

SCHEMBL3532

1,3-Benzenetriol

K567

KSC226I6T

Pyrogallol [NF]

CP0116

NSC5035

Pyrogallol, 98%

01Y4A2QXY0

CTK1C6469

H0854

HSDB 794

P0570

CHEMBL307145

CI Oxidation Base 32

RP19671

STR08708

1,2,3-Trihydroxybenzen

1,2,3-trihydroxybenzene

A15863

C01108

CCRIS 1940

Pyrogallol [NF X]

Pyrogallol, Vetec(TM) reagent grade

UNII-01Y4A2QXY0

ZINC330141

BBL011607

BC202160

DNC011451

DTXSID6025983

LS-1870

NSC 5035

NSC-5035

OR034539

OR261576

SBB060422

STL163335

ZB010488

1,2,3-benzenetriol

Benzene,2,3-trihydroxy-

CHEBI:16164

DSSTox_CID_5983

WLN: QR BQ CQ

4CN-0755

AB1002307

AC-11384

AJ-19292

AK-72995

AN-24124

ANW-38873

BP-12538

BR-72995

CI 76515

DA-40956

DSSTox_GSID_25983

KB-09981

Pyrogallol, ACS reagent, >=99%

SC-26747

ST2412633

TL8005703

1,2,3-TRIHYDROXY-BENZENE

BB_SC-6919

BDBM50031472

DSSTox_RID_77980

MFCD00002192

ZINC00330141

AI3-00709

KB-204606

RTR-027566

ST51046603

TR-027566

1,2,3-Trihydroxybenzene, XIV

AKOS000120163

benzene-1,2,3-triol

I01-4451

Pyrogallol, >=98% (HPLC)

W-104009

BRN 0907431

C.I. Oxidation Base 32

FT-0606230

MLS001066376

Pyrogallol, p.a., ACS reagent

SMR000471842

87-66-1

Tox21_111143

Tox21_202373

1,2,3-Trihydroxybenzen [Czech]

F0001-2163

Pyrogallol, JIS special grade, >=99.0%

C.I. Oxidation Base 32

C.I. 76515

CAS-87-66-1

Pyrogallol, SAJ first grade, >=98.0%

Benzene, 1,2,3-trihydroxy-

MCULE-6282052463

NCGC00091507-01

NCGC00091507-02

NCGC00091507-03

NCGC00259922-01

EINECS 201-762-9

35296-77-6

6328-EP2292597A1

6328-EP2305685A1

6328-EP2305825A1

MolPort-001-786-773

Pyrogallol, purum, >=98.0% (HPLC)

AB-131/40221933

Pyrogallol, ACS, 99.0% min. 10g

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

2,2',2'-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]

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

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)

Quercetin_sathishkumar

Quercetine

Sophoretin

Xanthaurine

Enicostemma Littorale Blume

Kvercetin

quercetin

Quercetin content

Quercetin hydrate

Quercetol

Quercitin

Quertine

REFJWTPEDVJJIY-UHFFFAOYSA-N

Ritacetin

Meletin

Quertin

Flavin meletin

Quer

QUE

Quercetin-Supplied by Selleck Chemicals

QUERCETIN:

4dfu

4mra

AC1NQWX8

CHEMBL50

3cf8

Quercetin - Sophoretin

9IKM0I5T1E

Kvercetin [Czech]

AC1Q795S

AC1Q795T

BDBM7460

Cyanidelonon 1522

Cyanidenolon 1522

GTPL5346

KSC497C4F

Natural Yellow 10

Quercetin, Sophoretin, Meletin, Quercetine

S295

UPCMLD-DP081

BRD9794

BS0155

CQ0011

GP9232

NSC9219

SCHEMBL19723

UNII-9IKM0I5T1E

CTK3J7142

HMDB05794

HMS501I07

N1841

nchembio.65-comp4

P0042

Q0025

S2391_Selleck

SGCUT00001

BIDD:ER0315

BIDD:PXR0007

CI Natural Yellow 10

DB04216

LP00999

LS-589

NSC57655

NSC58588

SCHEMBL219729

TNP00070

TNP00089

Tocris-1125

C00389

CCRIS 1639

HMS1362F09

HMS1792F09

HMS1923O19

HMS1990F09

HMS3263G19

HMS3267M12

HMS3649D04

HMS3656C15

HSDB 3529

K00029

KUC104418N

KUC107684N

nchembio.117-comp3

S00057

SPECTRUM1500672

AK106169

BBL005513

BRD-9794

BT000458

CS-3981

DAP001419

DR001218

DTXSID4021218

HE279180

HE279181

HE280298

HE320663

HE383988

LIM-5662

LNS-5662

NSC 9219

NSC-9219

NSC324608

SBB012521

ST024706

ST057237

STK365650

A-8821

BiomolKI_000062

CHEBI:16243

D011794

DSSTox_CID_1218

NCI-C60106

Q 0125

Spectrum_000124

ZINC3869685

4CN-0923

AC-19596

AJ-46321

AN-22768

ANW-73134

AX8030401

BSPBio_000433

BSPBio_001068

BSPBio_002243

CCG-40054

CI 75670

CID5280343

CJ-10980

DSSTox_GSID_21218

EBD2197934

HY-18085

KB-66753

KBioGR_000408

KBioGR_001293

KBioSS_000408

KBioSS_000584

Lopac-Q-0125

LS-69030

NUT0000107

SC-25667

STOCK1N-04222

3,4',5,7-Pentahydroxyflavone

3,7,3',4'-Pentahydroxyflavone

BiomolKI2_000068

DSSTox_RID_76017

LMPK12110004

Maybridge1_008992

MFCD00006828

MFCD03847906

NINDS_000485

Prestwick0_000507

Prestwick1_000507

Prestwick2_000507

Prestwick3_000507

SPBio_000217

SPBio_002354

Spectrum2_000059

Spectrum3_000642

Spectrum4_000807

Spectrum5_001389

ZINC03869685

AI3-26018

KB-221421

KSC-23-76

MixCom3_000183

NCIOpen2_007628

NCIOpen2_007882

RTX-012622

ST24039236

to_000078

ACon1_000560

AKOS000511724

BPBio1_000477

C.I. Natural red 1

DivK1c_000485

KBio1_000485

KBio2_000408

KBio2_000584

KBio2_002976

KBio2_003152

KBio2_005544

KBio2_005720

KBio3_000775

KBio3_000776

KBio3_001463

Lopac0_000999

MEGxp0_000381

Q-200333

T-Gelb bzw. grun 1

UPCMLD-DP081:001

Bio1_000369

Bio1_000858

Bio1_001347

Bio2_000374

Bio2_000854

BRN 0317313

C.I. Natural Yellow 10

C.I. natural yellow 13

EU-0100999

FT-0603318

FT-0655108

IDI1_000485

IDI1_002129

KSC-10-126

MLS006011766

SMP1_000252

SMR000112559

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

BAS 00649429

NCI60_042036

Tox21_202308

Tox21_300285

Tox21_500999

117-39-5

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

3,3',4',5,6-pentahydroxyflavone

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

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

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

C.I . natural yellow 10

C.I. 75670

7255-55-2

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

MCULE-2433372790

NCGC00015870-01

NCGC00015870-02

NCGC00015870-03

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

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

NChemBio.2007.10-comp11

Quercetin, >=95% (HPLC), solid

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

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

CAS-117-39-5

EINECS 204-187-1

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

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

73123-10-1

74893-81-5

SR-01000076098

A1784/0075599

MolPort-001-740-557

C.I. Natural yellow 10 & 13

CU-01000012502-3

SR-01000076098-1

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

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

2- -3,5,7-trihydroxy-chromen-4-one

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

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

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

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

BRD-K97399794-001-02-1

BRD-K97399794-001-07-0

BRD-K97399794-001-11-2

BRD-K97399794-335-03-1

Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin, 6151-25-3

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

2-?(3,?4-?DIHYDROXYPHENYL)-?3,?5,?7-?TRIHYDROXY-?4H-?1-?BENZOPYRAN-?4-?ONE

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

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

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

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

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

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

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

49643640-FD4C-4B93-BD28-0D7C2021CC52

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

PHENOXY, 2-HYDROXY-5-(3,5,7-TRIHYDROXY-4-OXO-4H-1-BENZOPYRAN-2-YL)-

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)

Syringlicacid

JMSVCTWVEWCHDZ-UHFFFAOYSA-N

DIMETHOXY BENZOIC ACID

SYRINGIC ACID

Cedar acid

AC1L1VUN

Syringic acid, analytical standard

AC1Q47JQ

ACMC-1AWI4

CHEMBL1414

PubChem2673

KSC269I1L

CS0044

NSC2129

SCHEMBL42751

CTK1G9415

G0014

HMDB02085

N2297

3 pound not5-DIMETHOXY-4-HYDROXYBENZOICACID

AS02533

RP25598

Syringic acid, >=95%

3,5-Dimethoxy-4-hydroxybenzoate

3,5-DIMETHOXY-BENZOIC ACID HYDRAZIDE

bmse000607

bmse010206

C10833

ZINC156386

3,5-Dimethyl-4-hydroxybenzoate

AC-7975

AK162483

AN-8458

BBL012974

BT000269

DNC010452

DTXSID0060191

NSC 2129

NSC-2129

OR003883

OR156056

OR313743

PS-8244

SBB041081

ST098737

STL163855

SY005479

CHEBI:68329

K-9639

SpecPlus_000485

3,5-Dimethoxy-4-hydroxybenzoic acid

3,5-Dimethoxy-4-hydroxybenzyl acid

4-Hydroxy-3,5-dimethoxybenzoic acid

AB1002377

ANW-31620

BSPBio_003312

E390O181H5

Gallic acid 3,5-dimethyl ether

KB-70221

LS-37555

SC-05090

TL8003486

TRA0015557

BB_NC-2236

BDBM50187132

MFCD00002552

RARECHEM AL BE 0102

Spectrum3_001866

Spectrum5_000963

AI3-24376

CCG-214218

DB-022071

RTR-018778

ST24043782

TIMTEC-BB SBB017745

TIMTEC-BB SBB041081

TR-018778

UNII-E390O181H5

AKOS000269664

DivK1c_006581

I01-1221

KBio1_001525

KBio3_002814

Q-100604

3,5-dimethoxy-4-hydroxy-benzoic acid

4-Hydroxy-3,5-dimethoxy-benzoic acid

BRN 2115262

FT-0632317

LABOTEST-BB LT00454715

LABOTEST-BB LT03329070

OTAVA-BB 1785353

530-57-4

Z1816507477

AKOS BBS-00004652

MCULE-6314465100

NCGC00178148-01

EINECS 208-486-8

PHENOXY, 4-CARBOXY-2,6-DIMETHOXY-

Syringic acid; 4-Hydroxy-3,5-dimethoxy-benzoic acid

Benzoic acid, 4-hydroxy-3,5-dimethoxy-

MolPort-000-555-503

4-10-00-01995 (Beilstein Handbook Reference)

BRD-K51980294-001-01-9

64887-60-1 (copper(+2)[1:1] salt)

InChI=1/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12