4-Ethyl-2-methoxyphenol

2785-89-9

4-Ethylguaiacol

p-Ethylguaiacol

2-Methoxy-4-ethylphenol

PHENOL, 4-ETHYL-2-METHOXY-

Guaiacyl ethane

Homocresol

4-ethyl guaiacol

4-ethyl-2-methoxy-phenol

4-Hydroxy-3-methoxy ethylbenzene

Guaiacol, 4-ethyl-

4-Hydroxy-3-methoxyethylbenzene

Guaiacol, 4-ethyl

FEMA No. 2436

4-Hydroxy-3-methoxyphenylethane

p-Ethyl-2-methoxyphenol

1-Hydroxy-2-methoxy-4-ethylbenzene

4-Ethyl-2-metoxy phenol

Phenol, 2-methoxy-4-ethyl

C9NFD83BJ5

CHEMBL3186900

DTXSID0047038

MFCD00038714

NSC-82313

4-Ethyl-2-methoxyphenol (4-ethylguaiacol)

4-Ethyl-d5-2-methoxyphenol

NSC 82313

UNII-C9NFD83BJ5

4-Ethyl guiacol

4-ethyl-guaiacol

EINECS 220-500-4

UNII-BX3THX8LT4

BX3THX8LT4

4-Ethyl-2-methoxy phenol

SCHEMBL109504

4-Ethylguaiacol, natural, FG

4-ETHYLGUAIACOL [FHFI]

4-ETHYL GUAIACOL [FCC]

DTXCID8027038

FEMA 2436

CHEBI:179252

BCP19091

NSC82313

4-Ethylguaiacol, analytical standard

Tox21_302308

BDBM50548721

AKOS015851764

4-Ethylguaiacol, >=98%, FCC, FG

CCG-356437

CS-W018090

DS-4664

MCULE-6493096993

Ethylguiacol (4-ethyl-2-methoxyphenol)

NCGC00256287-01

AC-15463

SY001597

CAS-2785-89-9

DB-003479

4-Ethylguaiacol 1000 microg/mL in Methanol

E0353

NS00012404

D90493

EN300-120486

Q229953

Q-100353

Z57234301

InChI=1/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H

formononetin

485-72-3

Biochanin B

Formononetol

7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

7-Hydroxy-4'-methoxyisoflavone

7-hydroxy-3-(4-methoxyphenyl)chromen-4-one

Flavosil

Neochanin

4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-

Myconate

Mycotech

4'-O-methyldaidzein

Isoflavone, 7-hydroxy-4'-methoxy-

NSC-93360

7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone

CHEBI:18088

EINECS 207-623-9

UNII-295DQC67BJ

MFCD00016948

NSC 93360

7-Hydroxy-3-(4-methoxyphenyl)chromone

295DQC67BJ

DTXSID4022311

7-hydroxy-4'-methoxy-isoflavone

DTXCID502311

NSC93360

7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one

7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one

FORMONONETIN (USP-RS)

FORMONONETIN [USP-RS]

SMR000470932

SR-01000765510

formononetine

Formoononetin

Formononetin,(S)

Formononetin (FOR)

Spectrum_000373

SpecPlus_000223

Daidzein 4-methyl ether

Spectrum2_000560

Spectrum3_000660

Spectrum4_001429

Spectrum5_000258

FORMONONETIN [MI]

Formononetin (Formononetol)

FORMONONETIN [INCI]

NCIOpen2_005983

Oprea1_139748

Oprea1_815287

SCHEMBL62915

BSPBio_002299

KBioGR_001878

KBioSS_000853

SPECTRUM102007

MLS000697593

MLS006011897

BIDD:ER0119

DivK1c_006319

SPBio_000639

CHEMBL242341

Formononetin, analytical standard

KBio1_001263

KBio2_000853

KBio2_003421

KBio2_005989

KBio3_001519

HMS1922N18

HMS2231I04

HMS3369C07

HMS3655N22

BCP29929

Formononetin, >=99.0% (TLC)

HY-N0183

TNP00176

Tox21_301848

BBL010458

BDBM50021398

CCG-38727

LMPK12050037

s2299

STK801612

AKOS000270811

AC-8001

DB15335

MCULE-4171151967

SDCCGMLS-0066428.P001

7-hydroxy-4'-methoxy-Isoflavone (8CI)

NCGC00017269-01

NCGC00017269-02

NCGC00017269-03

NCGC00017269-04

NCGC00017269-05

NCGC00017269-06

NCGC00017269-07

NCGC00095207-01

NCGC00095207-02

NCGC00095207-03

NCGC00178715-01

NCGC00255167-01

1ST40259

AS-11642

CAS-485-72-3

NCI60_042081

F0868

K-080

NS00002004

SW219915-1

C00858

EN300-116214

FORMONONETIN (CONSTITUENT OF ASTRAGALUS)

AB00052676-07

FORMONONETIN (CONSTITUENT OF RED CLOVER)

A827555

AE-641/01968055

Q408859

7-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one

Q-100540

SR-01000765510-3

SR-01000765510-4

7-Hydroxy-3-(4'-methoxyphenyl)-4H-benzopyran-4-one

BRD-K55567017-001-02-4

BRD-K55567017-001-06-5

FORMONONETIN (CONSTITUENT OF ASTRAGALUS) [DSC]

FORMONONETIN (CONSTITUENT OF RED CLOVER) [DSC]

F3139-1207

Z374511822

7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one(9CI)

Formononetin, United States Pharmacopeia (USP) Reference Standard

Biochanin B; Flavosil; Formononetol; NSC 93360; NSC93360; NSC-93360

myricetin

529-44-2

Cannabiscetin

Myricetol

Myricitin

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

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

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

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

delphidenolon 1575

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

CCRIS 5838

NSC 407290

NSC-407290

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

UNII-76XC01FTOJ

EINECS 208-463-2

76XC01FTOJ

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

BRN 0332331

CHEBI:18152

HSDB 7682

MFCD00006827

NSC407290

CHEMBL164

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

Myricetin from Myrica cerifera leaf and bark

SMR001233193

SR-01000076005

Myrc

4gqr

C15H10O8

Prestwick_342

Spectrum_001501

SpecPlus_000531

MYRICETIN [MI]

MYRICETIN [HSDB]

MYRICETIN [INCI]

Prestwick0_000465

Prestwick1_000465

Prestwick2_000465

Prestwick3_000465

Spectrum4_001272

Spectrum5_000692

Lopac-M-6760

Myricetin (Cannabiscetin)

BIDD:PXR0079

Lopac0_000740

SCHEMBL19302

BSPBio_000570

KBioGR_001884

KBioSS_001981

MLS002153825

MLS006010718

BIDD:ER0142

DivK1c_006627

Myricetin, analytical standard

SPBio_002509

BPBio1_000628

MEGxp0_000357

DTXSID8022400

ACon1_000267

BDBM15236

cid_5281672

GTPL13074

KBio1_001571

KBio2_001981

KBio2_004549

KBio2_007117

2o63

CHEBI: 18152

REGID_for_CID_5281672

HMS1569M12

HMS2096M12

HMS2231L04

HMS3262C22

HMS3656I05

Myricetin - CAS 529-44-2

BCP28295

Myricetin, >=96.0% (HPLC)

Myricetin, >=96.0%, crystalline

TNP00286

Tox21_500740

HB0434

LMPK12110001

s2326

STL284709

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

AKOS015903103

AC-4533

CCG-204825

CS-6221

DB02375

KS-5268

LP00740

MCULE-6299186219

SDCCGSBI-0050718.P003

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

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

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

NCGC00015697-14

NCGC00015697-25

NCGC00094083-01

NCGC00094083-02

NCGC00094083-03

NCGC00094083-04

NCGC00179517-01

NCGC00179517-02

NCGC00261425-01

CAS-529-44-2

HY-15097

NCI60_003870

SY051702

EU-0100740

M2131

NS00014642

SW196616-2

M 6760

S00115

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

A829320

Q951449

C07E0ED2-ABF6-4BD3-A2B2-A98CAEF20FD1

Myricetin, primary pharmaceutical reference standard

Q-100601

SR-01000076005-1

SR-01000076005-6

BRD-K43149758-001-04-5

3,3′,4′,5,5′,7-Hexahydroxyflavone

Cannabiscetin; HSDB 7682; HSDB7682; HSDB-7682

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

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

kaempferol

520-18-3

Robigenin

Kaempherol

Kempferol

Populnetin

Rhamnolutein

Trifolitin

Swartziol

3,4',5,7-Tetrahydroxyflavone

Pelargidenolon

Rhamnolutin

Indigo Yellow

Kampherol

Campherol

Kampferol

Nimbecetin

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

Kaemferol

5,7,4'-Trihydroxyflavonol

Pelargidenolon 1497

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

C.I. 75640

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

Pelargidenon

Kampcetin

CCRIS 41

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

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

NSC 407289

NSC 656277

EINECS 208-287-6

Kempferol;Robigenin

NSC-407289

NSC-656277

UNII-731P2LE49E

BRN 0304401

3,5,7,4'-Tetrahydroxyflavone

DTXSID7020768

CHEBI:28499

AI3-36096

HSDB 7703

731P2LE49E

3'-DEOXYQUERCETIN

MFCD00016938

CHEMBL150

DTXCID30768

5-18-05-00251 (Beilstein Handbook Reference)

NSC656277

CAS-520-18-3

CI 75640

KAEMPFEROL (IARC)

KAEMPFEROL [IARC]

SMR000112585

4det

Kaempferol,(S)

KAEMPFEROL [MI]

5,4'-Trihydroxyflavonol

Prestwick0_001098

Prestwick1_001098

Prestwick2_001098

Prestwick3_001098

KAEMPFEROL [HSDB]

KAEMPFEROL [INCI]

3,5,7-Tetrahydroxyflavone

KAEMPFEROL [USP-RS]

BIDD:PXR0073

Oprea1_650954

SCHEMBL18817

BSPBio_001176

MLS000697730

MLS001055391

MLS001074884

MLS006010737

BIDD:ER0134

SPBio_003058

Kaempferol, analytical standard

BDBM7462

BPBio1_001294

MEGxp0_001283

Flavone,4',5,7-tetrahydroxy-

ACon1_001867

cid_5280863

GTPL11052

CHEBI: 28499

HMS1571K18

HMS2098K18

HMS2267I09

HMS3414C03

HMS3656M03

HMS3678C03

HMS3884B13

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

Kaempferol, >=97.0% (HPLC)

TNP00039

Tox21_201165

Tox21_303363

AC-544

HSCI1_000027

LMPK12110003

NSC407289

s2314

AKOS015895240

Kaempferol, >=90% (HPLC), powder

CCG-202823

CS-1273

DB01852

GS-3570

MCULE-8965218413

NCGC00016480-01

NCGC00016480-02

NCGC00016480-03

NCGC00016480-04

NCGC00016480-05

NCGC00016480-06

NCGC00016480-07

NCGC00016480-08

NCGC00016480-09

NCGC00091036-01

NCGC00091036-02

NCGC00164322-01

NCGC00179275-01

NCGC00179275-02

NCGC00257464-01

NCGC00258717-01

BP-25390

HY-14590

KAEMPFEROL (CONSTITUENT OF GINKGO)

Kaempferol 100 microg/mL in Acetonitrile

SY023424

AB00514046

K0018

NS00001605

SW197199-2

3,4',5,7-tetrahydroxy-Flavone (7CI,8CI)

C05903

EN300-205764

H10428

S00111

Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI)

KAEMPFEROL (CONSTITUENT OF GINKGO) [DSC]

A828886

Q393336

SR-01000765646

Kaempferol, primary pharmaceutical reference standard

Q-100584

SR-01000765646-3

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

BRD-K12807006-001-05-2

BRD-K12807006-001-10-2

Z57183373

2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)chromen-4-one

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

A91A6666-86C8-4B33-B3EF-F74CD3CD7F47

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

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

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

Kaempferol, United States Pharmacopeia (USP) Reference Standard

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

3,4',5,7-Tetrahydroxyflavone, 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol

Soluble in hot alcohol, ether or alkalies
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. 913
Literature: #Insoluble in benzene; slightly soluble in chloroform; soluble in acetic acid, alkalies; very soluble in ethanol, ethyl ether, acetone
Literature: Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V2: 1583
Literature: #In water, 440 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.20. February, 2007. Available from, as of January 22, 2009: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

biochanin A

491-80-5

Biochanin

4'-Methylgenistein

5,7-Dihydroxy-4'-methoxyisoflavone

5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

olmelin

Pratensol

Biochanine A

Genistein 4-methyl ether

5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one

Biochanin-A

4-Methylgenistein

4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-

5,7-Dihydrox -4'-methoxyisoflavone

NSC 123538

CCRIS 5449

NSC-123538

Isoflavone, 5,7-dihydroxy-4'-methoxy-

Genistein 4'-methyl ether

EINECS 207-744-7

MFCD00006839

NSC123538

UNII-U13J6U390T

5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one

DTXSID1022394

CHEBI:17574

U13J6U390T

MLS000069443

CHEMBL131921

DTXCID102394

4'-Methoxy-5,7-dihydroxy isoflavone

5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one

SMR000059116

BIOCHANIN A (USP-RS)

BIOCHANIN A [USP-RS]

CAS-491-80-5

SR-01000003021

BiochaninA

QSO

Biochanin A, 9

5,7-dihydroxy-4'-methoxy-Isoflavone

Biochanin A (BCA)

Biochanin A (BIO)

Spectrum_000195

Genistein 4-Methylether

Opera_ID_621

Spectrum2_000047

Spectrum3_001098

Spectrum4_001927

Spectrum5_001624

BIOCHANIN A [MI]

Oprea1_038096

SCHEMBL61258

BSPBio_002776

KBioGR_002274

KBioSS_000675

MLS001148446

MLS006011785

BIDD:ER0123

DivK1c_001027

SPBio_000173

BDBM9461

GTPL2829

SPECTRUM10100003

Biochanin A (4-Methylgenistein)

cid_5280373

HMS503M15

KBio1_001027

KBio2_000675

KBio2_003243

KBio2_005811

KBio3_001996

NINDS_001027

HMS2232N19

HMS3369A02

HMS3656A13

TNP00319

Isoflavone,7-dihydroxy-4'-methoxy-

Tox21_202097

Tox21_302901

BBL010523

CCG-38351

LMPK12050229

s2377

STK888295

AKOS002163860

DB15334

MCULE-6764919720

IDI1_001027

SMP1_000045

NCGC00017369-01

NCGC00017369-02

NCGC00017369-03

NCGC00017369-04

NCGC00017369-05

NCGC00017369-06

NCGC00017369-07

NCGC00017369-08

NCGC00017369-09

NCGC00017369-10

NCGC00022428-03

NCGC00022428-04

NCGC00022428-05

NCGC00178478-01

NCGC00256458-01

NCGC00259646-01

AC-22309

AS-17474

HY-14595

NCI60_000558

SY048226

Biochanin A, analytical reference material

B4098

NS00001869

SW219333-1

5,7-dihydroxy-4'-methoxy-Isoflavone (8CI)

BIOCHANIN A (CONSTITUENT OF RED CLOVER)

C00814

Q864222

Q-100552

SR-01000003021-4

SR-01000003021-5

BIOCHANIN A (CONSTITUENT OF RED CLOVER) [DSC]

BRD-K73303757-001-02-6

BRD-K73303757-001-12-5

5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one #

F1190-0491

4H-1-Benzopyran-4-one,7-dihydroxy-3-(4-methoxyphenyl)-

2AA2D226-B323-4AE2-B576-2D47D15F9845

Biochanin A, United States Pharmacopeia (USP) Reference Standard

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)

2-ethenyl-6-methoxyphenol

Phenol, 2-ethenyl-6-methoxy-

120550-69-8

vinylguaiacol

Phenol, 2-ethenyl-6-methoxy- (9CI)

2-methoxy-6-vinyl-phenol

SCHEMBL60623

DTXSID70152904

ZMAYRLMREZOVLE-UHFFFAOYSA-N

DB-288448

EN300-1828066

Cianidanol

(+)-catechin

CATECHIN

154-23-4

Catechuic acid

Catechinic acid

Cyanidanol

D-Catechin

Catergen

Cianidol

(+)-Catechol

(+)-Cyanidanol

Biocatechin

(+)-Cyanidan-3-ol

D-Catechol

D-(+)-Catechin

Dexcyanidanol

Catechin (flavan)

Catechol (flavan)

(+)-Catechin Hydrate

(2R,3S)-Catechin

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

3-Cyanidanol, (+)-

Cianidanolum

Transepar

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

DL-Catechin

dl-Catechol

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

CCRIS 6855

7295-85-4

Catechin, d-

(+)-Cianidanol

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

KB-53

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

NSC 2819

NSC-2819

2,3-trans-catechin

(+)-Cyanidanol-3

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

2,3-Dihydro-4-desoxoquercetin

CHEBI:15600

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

Cianidanolum [INN-Latin]

AI3-22757

EINECS 205-825-1

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

UNII-8R1V1STN48

Catechol (+)

(+/-)-Catechin

8R1V1STN48

NSC2819

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

CATECHIN, D

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

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

Catechu

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

CHEMBL311498

DTXSID3022322

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

MFCD00075649

5J4Y243W61

100786-01-4

Gambier

Katha

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

Zyma

Cianidanolum (INN-Latin)

Cyanidanol-3

CIANIDANOL (MART.)

CIANIDANOL [MART.]

(+)-Cyanidol-3

Cutch (dye)

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

(+)-CATECHIN (USP-RS)

(+)-CATECHIN [USP-RS]

Catechin-(+,-) hydrate

Epicatechin-(-)

Catechin (hydrate)

Cianidanol [INN:JAN]

MLS001056745

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

Catechine dl-form

(+-)-catechin

(+/-)-catechol

KB 53

SR-01000075742

SMR000326724

Catechinate

Catechuate

Drenoliver

rac-catechin

Tanningenic acid

DL-Catechine

UNII-5J4Y243W61

(+)-Catechin;Cianidanol;Catechuic acid

Z 7300

Teafuran 30A

KXN

Prestwick_998

Sunkatol No. 1

EINECS 230-731-2

Slim 2

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

RACEMIC CATECHIN

Spectrum_000395

(+)-Catechin,(S)

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

CATECHIN [MI]

CATECHIN, DL-

CATECHIN [VANDF]

CIANIDANOL [INN]

CIANIDANOL [JAN]

Prestwick0_000642

Prestwick0_000817

Prestwick1_000642

Prestwick1_000817

Prestwick2_000642

Prestwick2_000817

Prestwick3_000642

Spectrum2_000167

Spectrum3_000242

Spectrum4_001763

Spectrum5_000345

Epitope ID:116872

(+/-)-Catechin xHydrate

CIANIDANOL [WHO-DD]

Lopac0_000219

SCHEMBL19741

BSPBio_000643

BSPBio_001624

KBioGR_002245

KBioSS_000875

8001-48-7

154-23-4 , anhydride

BIDD:ER0378

DivK1c_000647

SPBio_000033

SPBio_002564

SPBio_002634

CATECHIN DL-FORM [MI]

BPBio1_000709

cid_107957

DTXCID202322

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

CATECHOL, (+/-)-

ACon1_001489

BDBM23416

BDBM60836

CIANIDANOL, (+/-)-

GTPL13091

HMS502A09

KBio1_000647

KBio2_000875

KBio2_003443

KBio2_006011

KBio3_001124

YK-85 Light Yellow Powder 85

4c94

NINDS_000647

DTXSID001349029

HMS1570A05

HMS1570D15

HMS2097A05

HMS3260L19

Pharmakon1600-00210205

(+)-Catechin, analytical standard

HY-N0898

TNP00270

Tox21_500219

CCG-40007

LMPK12020001

NSC755824

s3974

s4722

STL570276

trans3,3,4,5,7 pentahydroxyflavane

AKOS015960546

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

CS-3759

DB14086

LP00219

MCULE-1532117250

ND-0342

NSC-755824

SDCCGMLS-0066526.P001

SDCCGSBI-0050207.P004

IDI1_000647

NCGC00017331-01

NCGC00017331-02

NCGC00017331-03

NCGC00017331-04

NCGC00017331-05

NCGC00017331-19

NCGC00093689-01

NCGC00093689-02

NCGC00093689-03

NCGC00260904-01

AC-11608

AC-35859

AS-72772

NCI60_002303

(+)-Catechin 1000 microg/mL in Acetone

SBI-0050207.P003

1ST000259

EU-0100219

NS00004541

( inverted exclamation markA)-Catechin hydrate

(+)-Catechin 1000 microg/mL in Acetonitrile

C 1251

C06562

D95105

H10916

AB00051886_13

EN300-6498629

(+/-)-Catechin 1000 microg/mL in Acetonitrile

A809512

A878497

NATURAL BROWN 3 (CUTCH EXTRA OR GAMBIER)

Q415007

(+)-CATECHIN (CONSTITUENT OF MARITIME PINE)

Q-100183

SR-01000075742-1

SR-01000075742-7

SR-01000075742-8

SR-01000075742-9

BRD-K58736316-001-07-9

BRD-K58736316-001-08-7

SR-01000075742-10

SR-01000075742-12

SR-01000075742-14

(+)-CATECHIN (CONSTITUENT OF MARITIME PINE) [DSC]

D4A04A57-7609-451F-A446-53F4DFAD15F5

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

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

(+)-CATECHIN (CONSTITUENT OF GRAPE SEEDS OLIGOMERIC PROANTHOCYANIDINS)

(+)-CATECHIN (CONSTITUENT OF POWDERED DECAFFEINATED GREEN TEA EXTRACT)

(+)-Catechin, Pharmaceutical Secondary Standard; Certified Reference Material

(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;hydrate

(2R-trans)-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)

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

2H-1-BENZOPYRAN-3,5,7-TRIOL, 2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-, (2S,3R)-REL-

321-01-7

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

5-hydroxy-2-methylchromone

1130-62-7

5-hydroxy-2-methyl-4H-chromen-4-one

SCHEMBL620145

CHEMBL5219495

AKOS022639298

DB-123993

2,4-Diisopropyl-5-methylphenol

40625-96-5

4,6-Diisopropyl-m-cresol

5-Methyl-2,4-diisopropylphenol

Phenol, 5-methyl-2,4-bis(1-methylethyl)-

5-methyl-2,4-di(propan-2-yl)phenol

m-Cresol, 4,6-diisopropyl-

319EQ0TMXT

Phenol, 5-methyl-2,4-diisopropyl

UNII-319EQ0TMXT

2,4,5-Trimethyl-Phenol

SCHEMBL1245089

DTXSID00335905

CHEBI:169631

2,4-Diisopropyl-5-methylphenol #

AKOS023093774

5-methyl-2,4-bis(propan-2-yl)phenol

2,4-bis(1-methylethyl)-5-methylphenol

5-Methyl-2,4-bis(1-methylethyl)phenol, 9CI

Q27256033

2-Ethyl-6-methylphenol

1687-64-5

Phenol, 2-ethyl-6-methyl-

6-Ethyl-o-cresol

o-Cresol, 6-ethyl-

2-ethyl-6-methyl-phenol

359WUC62RI

UNII-359WUC62RI

2-ethyl-6-methyl phenol

3-Ethyl-2-hydroxytoluene

SCHEMBL263474

?2-ETHYL-6-METHYLPHENOL

DTXSID80168596

CHEBI:196448

PHENOL,2-ETHYL-6-METHYL-

MFCD00962292

AKOS022181433

HY-W089538

MCULE-6631631318

PS-9101

PD158429

DB-043761

CS-0133334

E1185

D83897

EN300-206716

1-N-(3,5-DIFLUOROPHENYL)-PIPERIDIN-4-ONE

Q27256456

25750-50-9

resveratrol

501-36-0

trans-resveratrol

3,4',5-Trihydroxystilbene

(E)-5-(4-Hydroxystyryl)benzene-1,3-diol

3,5,4'-Trihydroxystilbene

(E)-resveratrol

Resvida

3,4',5-Stilbenetriol

5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

3,4',5-Trihydroxy-trans-stilbene

Biofort

Cuspidatin

5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol

SRT 501

SRT-501

(E)-5-(p-Hydroxystyryl)resorcinol

Resveratrol p 5

SRT501

Resveratrol(e)-form

3,5,4'-Trihydroxy-trans-stilbene

Melinjo resveratrol 20

CHEBI:45713

Srt 501m

trans-3,4',5-trihydroxystilbene

5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol

NSC 327430

NSC-327430

trans-1,2-(3,4',5-Trihydroxydiphenyl)ethylene

CCRIS 8952

5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

DTXSID4031980

UNII-Q369O8926L

HSDB 7571

Resveratrol (Standard)

5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-1,3-benzenediol

Ca 1201

C14H12O3

1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethenyl)-, (E)-

1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-

BIA 6-512

BIA-6-512

NSC327430

CHEMBL165

Q369O8926L

(E)-5-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzendiol

MLS000069735

133294-37-8

DTXCID2011980

CHEBI:27881

trans-3,4',5 - trihydroxystilbene

MFCD00133799

SMR000058206

RESVERATROL (MART.)

RESVERATROL [MART.]

1,3-Benzenediol, 5-((E)-2-(4-hydroxyphenyl)ethenyl)-

Resveratol

TRANS-RESVERATROL (USP-RS)

TRANS-RESVERATROL [USP-RS]

5-((E)-2-(4-HYDROXYPHENYL)-ETHENYL) BENZENE-1,3 DIOL

trans Resveratrol

3,4',5-trihydroxy-stilbene

Resveratrol, natural

5-(2-(4-hydroxyphenyl)ethenyl)benzene-1,3-diol

SR-01000000163

5-((E)-2-(4-hydroxyphenyl)vinyl)benzene-1,3-diol

1,3-Benzenediol, 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-

Jotrol

3fts

4jaz

4qer

Resveratrol, E-

Resveratrol,(S)

KUC104385N

Stilbene, 2f

TaxusChinensisiRehd

NCGC00015894-02

CAS-501-36-0

STL

Prestwick_619

Resveratrol, trans-

(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol

KSC-10-164

Resveratrol, synthetic

RM-1812

Opera_ID_586

RESVERATROL [MI]

Prestwick2_000508

Prestwick3_000508

Spectrum5_000552

RESVERATROL [HSDB]

RESVERATROL [INCI]

R 5010

RESVERATROL [VANDF]

1,3-Benzenediol, 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]-

Lopac0_001111

REGID_for_CID_6240

SCHEMBL19425

BSPBio_000435

BSPBio_001114

BSPBio_003461

RESVERATROL [WHO-DD]

MLS001055357

MLS001076538

MLS001424228

MLS002207121

MLS002222231

SPECTRUM1502223

CU-01000001503-3

BPBio1_000479

cid_445154

GTPL8741

SGCUT00007

Resveratrol, analytical standard

REGID_for_CID_445154

BDBM23926

Resveratrol, >=99% (HPLC)

AMY5760

2l98

BCPP000091

HMS1362H15

HMS1569F17

HMS1792H15

HMS1921N04

HMS1990H15

HMS2052I09

HMS2096F17

HMS2232A18

HMS3263O04

HMS3403H15

HMS3412O14

HMS3649A20

HMS3676O14

BCP01416

to_000079

Tox21_110257

Tox21_201374

Tox21_303376

Tox21_501111

AC-727

BBL028252

CCG-38874

HB4055

HY-16561R

LMPK13090005

s1396

STL146386

AKOS005720936

Tox21_110257_1

CS-1050

DB02709

KS-5047

LP01111

MCULE-5678456463

NC00349

SDCCGMLS-0002998.P003

SDCCGSBI-0051080.P003

IDI1_002152

NCGC00017352-05

NCGC00017352-06

NCGC00017352-07

NCGC00017352-08

NCGC00017352-09

NCGC00017352-10

NCGC00017352-11

NCGC00017352-12

NCGC00017352-13

NCGC00017352-14

NCGC00017352-15

NCGC00017352-16

NCGC00017352-17

NCGC00017352-18

NCGC00017352-19

NCGC00017352-24

NCGC00017352-31

NCGC00017352-37

NCGC00017352-39

NCGC00024003-00

NCGC00024003-04

NCGC00024003-05

NCGC00024003-06

NCGC00024003-07

NCGC00024003-08

NCGC00024003-09

NCGC00024003-10

NCGC00024003-11

NCGC00024003-12

NCGC00024003-13

NCGC00024003-14

NCGC00257465-01

NCGC00258925-01

NCGC00261796-01

1ST40018

AS-12413

HY-16561

CS-0694771

EU-0101111

R0071

Resveratrol, Vetec(TM) reagent grade, 98%

SW196786-4

trans [2,5,4'-trihydroxydiphenyl] ethylene

C03582

N88795

5-[2-(4-hydroxyphenyl)vinyl]-1,3-benzenediol

AB00052942-29

AB00052942_31

trans-Resveratrol 100 microg/mL in Acetonitrile

A827984

Q407329

5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzoldiol

SR-01000000163-3

SR-01000000163-4

SR-01000000163-9

5-[(E)-2-(4-Hydroxyphenyl)ethenyl]benzol-1,3-diol

5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzenediol

5[(E)-2-(4-Hydroxyphenyl)-vinyl]benzene 1,3-diol

BRD-K25591257-001-01-2

BRD-K80738081-001-06-2

BRD-K80738081-001-07-0

BRD-K80738081-001-09-6

BRD-K80738081-001-10-4

BRD-K80738081-001-23-7

SR-01000000163-10

SR-01000000163-11

SR-01000000163-16

(E)-1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene

(E)1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene

5-((1E)-2-(4-hydroxyphenyl)ethenyl)benzene-1,3-diol

Resveratrol, certified reference material, TraceCERT(R)

Resveratrol, European Pharmacopoeia (EP) Reference Standard

1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)-ethenyl)-, (E)-

533C1DA0-4104-42B5-9D32-9265F40857E4

trans-Resveratrol, United States Pharmacopeia (USP) Reference Standard

(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol

31100-06-8

InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1

The Henry's Law constant for resveratrol 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 resveratrol is expected to be essentially nonvolatile from water surfaces(2). Resveratrol's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Resveratrol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.2X10-9 mm Hg(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Feb 11, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

In water, 3 mg/100 mL
Literature: Amri A et al; J Controlled Release 158: 182-193 (2012
Literature: #Soluble in organic solvents such as ethanol, DMSO and dimethyl formamide at approximately 65 mg/mL; solubility in PBS (phosphate buffered saline) at pH 7.2 is approximately 100 ug/mL
Literature: Cayman Chemical; Product Information trans-Resveratrol (CAS 510-36-0). Available from, as of Feb 11, 2014: https://www.caymanchem.com/pdfs/70675.pdf

Using a structure estimation method based on molecular connectivity indices(1), the Koc of resveratrol can be estimated to be 3.5X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that resveratrol is expected to be immobile in soil. Resveratrol has estimated pKa values of 8.99, 9.63 and 10.64(3) indicating that this compound will exist primarily in the neutral form in the environment with the anion form partially existing in alkaline soils and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).[(1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Feb 11, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Royal Soc Chem; ChemSpider. 5-
Literature: (E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzenediol. (501-36-0). Available from, Feb 11, 2014: http://www.chemspider.com/Search.aspx (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)