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

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)

benzoic acid

65-85-0

Dracylic acid

benzenecarboxylic acid

Carboxybenzene

Benzeneformic acid

phenylformic acid

Benzenemethanoic acid

Phenylcarboxylic acid

benzoate

Retardex

Benzoesaeure GK

Benzoesaeure GV

Retarder BA

Tenn-Plas

Acide benzoique

Salvo liquid

Solvo powder

Benzoesaeure

Benzoic acid, tech.

Unisept BZA

HA 1 (acid)

Kyselina benzoova

Benzoic acid (natural)

HA 1

Benzoate (VAN)

Benzenemethonic acid

FEMA No. 2131

Vevovitall

Acido benzoico

Menno-florades

NSC 149

Benzoesaeure [German]

Caswell No. 081

Diacylic acid

Oracylic acid

Benzoicum acidum

CCRIS 1893

HSDB 704

Acide benzoique [French]

Acido benzoico [Italian]

E 210

Kyselina benzoova [Czech]

AI3-0310

AI3-03710

Diacylate

EPA Pesticide Chemical Code 009101

CHEBI:30746

Salvo powder

Acidum benzoicum

NSC-149

UNII-8SKN0B0MIM

E210

Salvo, liquid

Solvo, powder

8SKN0B0MIM

Benzoic acid (e 210)

EINECS 200-618-2

Tennplas

DTXSID6020143

Retarded BA

INS-210

Aromatic carboxylic acid

MFCD00002398

Benzoic acid [USP:JAN]

BENZOIC-4-D1 ACID

DTXCID80143

Benzoic acid-ring-UL-14C

INS NO.210

E-210

EC 200-618-2

Benzeneformate

Phenylformate

Benzenemethanoate

Phenylcarboxylate

Benzenecarboxylate

Benzoic acid 100 microg/mL in Acetone

Benzoic acid (USP:JAN)

BENZOIC ACID (II)

BENZOIC ACID [II]

Benzoic Acid 2000 microg/mL in Dichloromethane

BENZOIC ACID (MART.)

BENZOIC ACID [MART.]

BENZOIC ACID (USP-RS)

BENZOIC ACID [USP-RS]

BENZOIC ACID (EP MONOGRAPH)

BENZOIC ACID [EP MONOGRAPH]

BENZOIC ACID (USP MONOGRAPH)

BENZOIC ACID [USP MONOGRAPH]

Acid, Benzoic

Benzoic acid [USAN:JAN]

CAS-65-85-0

MFCD00002400

NSC7918

B A

Benzoic acid (TN)

phenylcarboxy

Dracylate

ProvitaCombat

benzoic aicd

benzoic-acid

benzoic_acid

bezoic acid

Aromatic acid

benzenecarboxylic

Benzoicum Ac

Eyelids Wipes

benzoic- acid

Provita Equiband

Retarder BAX

1gyx

1kqb

Rheumatism Diarrhea

Sodium benzoic acid

Benzoic Acid,(S)

CARBOXYLBENZENE

DIACYCLIC ACID

DRACYCLIC ACID

benzene carboxylic acid

760 - Preservatives

BENZOICACID-D5

ANTAZOLINE_met016

WLN: QVR

benzene-2-carboxylic acid

EUCATROPINE_met034

CYCLANDELATE_met022

BENZOIC ACID [MI]

Benzoic acid, ACS reagent

bmse000300

CHEMBL541

Epitope ID:139965

BENZOIC ACID [FCC]

BENZOIC ACID [JAN]

SCHEMBL1378

BENZOIC ACID [FHFI]

BENZOIC ACID [HSDB]

BENZOIC ACID [INCI]

SAMPL4, O1

TRIPELENNAMINE_met034

Benzoic acid (JP17/USP)

BENZOIC ACID [VANDF]

MLS002415717

27 - Preservatives in Cream

BIDD:ER0597

BENZOIC ACID [WHO-DD]

BENZOIC ACID [WHO-IP]

Benzoic acid, AR, >=99%

Benzoic acid, LR, >=99%

NSC149

31 - Preservatives in Mascara

BENZOICUM ACIDUM [HPUS]

FEMA 2131

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

Benzoic acid, analytical standard

Benzoic acid, p.a., 99.5%

BENZOIC ACID [GREEN BOOK]

BDBM197302

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

HMS2092F18

HMS2267D03

HMS3652B03

Pharmakon1600-01503001

HY-N0216

Tox21_202403

Tox21_300180

NSC758203

s4161

STK301730

Benzoic acid, ReagentPlus(R), 99%

AKOS000119619

BS-3752

CCG-213088

DB03793

MCULE-4467353796

NSC-758203

ACIDUM BENZOICUM [WHO-IP LATIN]

Benzoic acid, >=99.5%, FCC, FG

USEPA/OPP Pesticide Code: 009101

Benzoic acid, ACS reagent, >=99.5%

NCGC00091886-01

NCGC00091886-02

NCGC00091886-03

NCGC00091886-05

NCGC00254112-01

NCGC00259952-01

TIAPROFENIC ACID IMPURITY D [EP]

Benzoic acid, USP, 99.5-100.5%

BP-30148

SMR001252220

SY009192

SY236257

Benzoic acid, tested according to Ph.Eur.

SBI-0206720.P001

Benzoic acid, SAJ first grade, >=99.5%

DB-029471

B0062

B2635

CS-0008257

NS00008785

SW219833-1

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

Benzoic acid, SAJ special grade, >=99.5%

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

EN300-18007

2-BENZOYL-5-METHOXYBENZOQUINONE_met032

Benzoic acid, meets USP testing specifications

Benzoic acid, purified by sublimation, >=99%

C00180

C00539

D00038

D85168

MEFENAMIC ACID IMPURITY D [EP IMPURITY]

AB00949635_05

AB00949635_06

A835250

A934445

Benzoic Acid Zone Refined (number of passes:20)

Q191700

SR-05000001919

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

SR-05000001919-1

0BE368DC-6DE6-4927-AECF-E4BB2968A4A0

GLYCOPYRRONIUM BROMIDE IMPURITY D [EP IMPURITY]

Melting point standard 121-123C, analytical standard

METRONIDAZOLE BENZOATE IMPURITY C [EP IMPURITY]

Z57127480

F2191-0092

HYDROUS BENZOYL PEROXIDE IMPURITY B [EP IMPURITY]

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

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

METHYLAMINOLEVULINATE HYDROCHLORIDE IMPURITY I [EP]

Benzoic acid, European Pharmacopoeia (EP) Reference Standard

Mettler-Toledo Calibration substance ME 18555, Benzoic acid

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

Benzoic acid, United States Pharmacopeia (USP) Reference Standard

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

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

Benzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material

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

14322-82-8

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

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

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

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

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

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

pyrogallol

benzene-1,2,3-triol

87-66-1

1,2,3-trihydroxybenzene

pyrogallic acid

1,2,3-benzenetriol

fourrine PG

Fouramine Brown AP

fourrine 85

Pyro

Piral

C.I. Oxidation Base 32

fouramine base ap

C.I. 76515

1,2,3-Trihydroxybenzen

CI Oxidation Base 32

Benzene, 1,2,3-trihydroxy-

NSC 5035

2,3-Dihydroxyphenol

CCRIS 1940

HSDB 794

NSC-5035

EINECS 201-762-9

UNII-01Y4A2QXY0

BRN 0907431

01Y4A2QXY0

CI 76515

DTXSID6025983

CHEBI:16164

AI3-00709

1,2,3-Trihydroxybenzen [Czech]

1,2,3-TRIHYDROXY-BENZENE

benzene-1,2-3-triol

CHEMBL307145

DTXCID905983

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

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

MFCD00002192

NCGC00091507-01

PYROGALLOL (MART.)

PYROGALLOL [MART.]

1,2,3-Trihydroxybenzen (CZECH)

acid, Pyrogallic

CAS-87-66-1

Pyrogallol [NF]

PYG

PYROGALLOL, ACS

Pyrogallic

Pyrogallol;

trihydroxybenzene

1,3-Benzenetriol

Pyrogallol, 98%

PYROP

Pyrogallol ACS grade

1,3-Trihydroxybenzen

Pyrogallic Acid,(S)

1,3-Trihydroxybenzene

PYROGALLOL [MI]

Pyrogallol, ACS reagent

PYROGALLOL [HSDB]

PYROGALLOL [INCI]

Benzene,2,3-trihydroxy-

WLN: QR BQ CQ

PYROGALLOL [VANDF]

SCHEMBL3532

PYROGALLOL [WHO-DD]

C.I. Oxidation Base 32

MLS001066376

Pyrogallol, analytical standard

1,2,3-Trihydroxybenzene, XIV

Pyrogallol, >=98% (HPLC)

Pyrogallol, p.a., ACS reagent

NSC5035

BCP15871

HY-N1579

Pyrogallol, ACS reagent, >=99%

STR08708

Tox21_111143

Tox21_202373

BBL011607

BDBM50031472

Pyrogallol, Vetec(TM) reagent grade

s3885

STL163335

AKOS000120163

AM10660

CCG-266100

CS-W019928

MCULE-6282052463

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

NCGC00091507-02

NCGC00091507-03

NCGC00259922-01

Pyrogallol, purum, >=98.0% (HPLC)

AC-11384

BP-12538

DA-40956

GMN

Pyrogallol, SAJ first grade, >=98.0%

SMR000471842

Pyrogallol, JIS special grade, >=99.0%

NS00014915

P0570

EN300-18055

A15863

C01108

AB-131/40221933

Q388692

W-104009

Z57127553

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

F0001-2163

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

30813-84-4

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

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

p-coumaric acid

4-Hydroxycinnamic acid

501-98-4

p-Hydroxycinnamic acid

trans-4-Hydroxycinnamic acid

7400-08-0

4-Coumaric acid

trans-p-Coumaric acid

p-Cumaric acid

3-(4-hydroxyphenyl)acrylic acid

p-Hydroxy-cinnamic acid

Para-Coumaric acid

Naringeninic acid

Hydroxycinnamic acid

(E)-p-Coumaric acid

trans-4-coumaric acid

trans-p-Coumarinic acid

(E)-3-(4-Hydroxyphenyl)acrylic acid

Cinnamic acid, p-hydroxy-

(E)-p-Hydroxycinnamic acid

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

4'-hydroxycinnamic acid

trans-p-Hydroxycinnamic acid

p-Hydroxyphenylacrylic acid

(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid

3-(4-Hydroxyphenyl)-2-propenoic acid

4-coumarate

Cinnamic acid, p-hydroxy-, (E)-

trans-p-Hydroxycinnamate

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

(E)-3-(4-Hydroxyphenyl)-2-propenoic acid

(E)-3-(4-hydroxyphenyl)prop-2-enoic acid

4-Hydroxycinnamate

(2E)-3-(4-hydroxyphenyl)acrylic acid

beta-(4-Hydroxyphenyl)acrylic acid

NSC 59260

trans-4-hydroxycinnamate

UNII-IBS9D1EU3J

IBS9D1EU3J

EINECS 231-000-0

Para coumaric acid

(E)-4-hydroxycinnamic acid

3-(4-hydroxyphenyl)prop-2-enoic acid

NSC 674321

p-coumarate

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

BRN 2207381

BRN 2207383

CHEBI:32374

ORISTAR PCA

parahydroxycinnamic acid

MFCD00004399

NSC-59260

NSC-674321

4-hydroxy cinnamic acid

CHEMBL66879

PARA HYDROXYCINNAMIC ACID

beta-[4-Hydroxyphenyl]acrylic acid

0-10-00-00297 (Beilstein Handbook Reference)

4-10-00-01005 (Beilstein Handbook Reference)

NSC674321

trans-p-coumarate

Dehydroepiandrosterone-[D6] (CertiMass solution)

3-(4-hydroxyphenyl)acrylate

.beta.-[4-Hydroxyphenyl]acrylic acid

trans-HPPA

(E)-3-[4-hydroxyphenyl]-2-propenoic acid

4-coumaric acid, (E)-isomer

4-Hydroxycinnamicacid

trans-p-Cumaric Acid

4-Hydroxycinamic acid

.BETA.-(4-HYDROXYPHENYL)ACRYLIC ACID

2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)-

CHEBI:36090

hydroxycinnamate

Para coumarate

p-coumaric-acid

Para-Coumarate

p-Cumarate

naringeninic-acid

p-Hydroxycinnamate

4qem

Coumaric acid, p-

4'-Hydroxycinnamate

4-Hydroxy cinnamate

p-Coumaric acid,trans

p-Coumaric acid 98%

4f8j

p-Coumaric acid, trans

4-Hydroxyphenylpropenoate

(2E)-3-(4-Hydroxyphenyl)-2-propenoic acid

trans-3-(4'-hydroxyphenyl)-2-propenoic acid

bmse000150

bmse000591

bmse010208

trans-4-HydroxycinnamicAcid

b-[4-Hydroxyphenyl]acrylate

SCHEMBL39106

p-hydroxycinnamic acid (M4)

MLS001066419

p-Hydroxycinnamic acid, trans

P-COUMARIC ACID [MI]

beta-[4-Hydroxyphenyl]acrylate

BDBM4374

GTPL5787

SODIUM2,4-PENTANEDIONATE

b-[4-Hydroxyphenyl]acrylic acid

trans-p-HydroxyzimtsA currencyure

DTXSID30901076

P-COUMARIC ACID [WHO-DD]

HMS1409E10

3-(4-Hydroxyphenyl)-2-propenoate

HYDROXYCINNAMIC ACID [INCI]

BCP22803

HY-N2391

NSC59260

STR06515

4-HYDROXYPHENYLPROPENOIC ACID

Cinnamic acid, 4-hydroxy-, trans-

AC7957

BBL012226

CK2547

s4759

s9564

STL163567

AKOS000120685

p-Coumaric acid;p-Hydroxycinnamic acid

BCP9001042

CCG-266309

CS-W020394

DB04066

p-Coumaric acid, >=98.0% (HPLC)

(E)-3-(4-hydroxyphenyl)prop-2-enoate

NCGC00246974-01

1ST40051

50940-26-6

AC-10318

AC-34130

AC-34133

AS-12000

BP-13278

SMR000112201

(E)-3-(4-hydroxyphenyl)prop-2-enoicacid

trans-p-Coumaric acid, analytical standard

AM20050138

NS00068187

EN300-17292

A19490

C00811

Q99374

(2E)-3-(4-Hydroxyphenyl)-2-propenoic acid #

A828008

AE-562/40414679

trans-p-Coumaric acid 1000 microg/mL in Acetone

Q-100560

W-104438

Z56911963

0C1BFF2D-2CF7-4FC1-9F76-3268C2C7F783

F2191-0188

p-Coumaric acid, primary pharmaceutical reference standard

(E)-3-(4-hydroxyphenyl)prop-2-enoate;Trans-4-Hydroxycinnamic Acid

InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3

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)

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)

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

naringenin

480-41-1

(S)-Naringenin

salipurpol

Salipurol

Naringenine

(S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one

pelargidanon

(2S)-Naringenin

naringetol

Asahina

NARIGENIN

5,7,4'-Trihydroxyflavanone

NSC 11855

CCRIS 5839

(-)-(2S)-Naringenin

C15H12O5

UNII-HN5425SBF2

NSC 34875

HN5425SBF2

CHEBI:17846

AI3-23355

Flavanone, 4',5,7-trihydroxy-

(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

(-)-Naringenin

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)-

YSO1

EINECS 207-550-2

NSC-11855

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

CHEMBL9352

NARINGENIN, (-)-

DTXSID1022392

(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone

(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-chroman-4-one

(-)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one

(R,S)-Naringenin

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

BE-14348A

NSC-34875

(S)-2,3-dihydo-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (S)-

4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)-

SR-01000721771

(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one

4',5,7-trihydroxyflavan-4-one

Nari

2uxu

4deu

S-Dihydrogenistein

pelargidanon 1602

Spectrum_000247

4eh3

NARINGENIN [MI]

Spectrum2_000325

Spectrum3_000567

Spectrum4_000124

Spectrum5_001423

NARINGENIN [INCI]

4',5,7-triOH-Flavone

4',5,7-Trihydroxyflavanon

SCHEMBL20570

BSPBio_001954

KBioGR_000508

KBioSS_000727

MLS000574861

BIDD:ER0116

DivK1c_000118

SPECTRUM1500746

SPBio_000329

4',5, 7-Trihydroxyflavanone

DTXCID302392

BDBM23419

HMS500F20

KBio1_000118

KBio2_000727

KBio2_003295

KBio2_005863

KBio3_001454

NINDS_000118

(2S)-5,7,4'-trihydroxyflavone

AIDS001417

HMS2202M06

(2S)-4',5,7-trihydroxyflavanone

HY-N0100

TNP00287

(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

CCG-38601

LMPK12140001

Phytochemistry 8: 127 (1969)

s2394

AKOS016843490

CS-6421

DB03467

FS-4072

SDCCGMLS-0066570.P001

(2S)-4',5,7-trihydroxyflavan-4-one

IDI1_000118

NCGC00016457-01

NCGC00016457-02

NCGC00016457-03

NCGC00017346-01

NCGC00163598-01

1ST40170

AC-33954

CAS-480-41-1

Flavanone, 4',5,7-trihydroxy- (8CI)

SMR000156272

NS00068233

SW219329-1

C00509

EN300-303163

A827427

Q418374

Q-100666

SR-01000721771-3

SR-01000721771-4

BRD-K08832567-001-02-4

BRD-K08832567-001-06-5

2,3-Dihydro-5,6-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

13308-00-4

SYRINGIC ACID

530-57-4

4-Hydroxy-3,5-dimethoxybenzoic acid

3,5-Dimethoxy-4-hydroxybenzoic acid

Cedar acid

Gallic acid 3,5-dimethyl ether

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

NSC 2129

3,5-Dimethoxy-4-hydroxybenzyl acid

EINECS 208-486-8

BRN 2115262

UNII-E390O181H5

CHEBI:68329

AI3-24376

NSC-2129

MFCD00002552

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

E390O181H5

CHEMBL1414

DTXSID0060191

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

4-Hydroxy-3,5-dimethoxybenzoicacid

2,6-DIMETHOXY-4-CARBOXYPHENOL

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

Syringlicacid

SYRA

SpecPlus_000485

Spectrum3_001866

Spectrum5_000963

Syringic acid, >=95%

bmse000607

bmse010206

SCHEMBL42751

BSPBio_003312

SYRINGIC ACID [INCI]

DivK1c_006581

3,5-Dimethyl-4-hydroxybenzoate

DTXCID2041337

3,5-dimethyl ether Gallic Acid

KBio1_001525

KBio3_002814

3,5-Dimethoxy-4-hydroxybenzoate

NSC2129

HMS3885G17

Syringic acid, analytical standard

HY-N0339

BBL012974

BDBM50187132

s3629

STL163855

3,5-dimethoxy-4-hydroxy benzoic acid

AKOS000269664

AC-7975

CCG-214218

MCULE-6314465100

PS-8244

NCGC00178148-01

1ST40130

SY005479

DB-022071

CS-0008899

G0014

NS00001894

EN300-117146

3 pound not5-DIMETHOXY-4-HYDROXYBENZOICACID

Q408428

Q-100604

BRD-K51980294-001-01-9

F3157-0001

Z1255360342

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

IJP

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