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)

vanillin

4-Hydroxy-3-methoxybenzaldehyde

121-33-5

Vanillaldehyde

Vanillic aldehyde

p-Vanillin

Lioxin

Vanilline

Vanilla

3-Methoxy-4-hydroxybenzaldehyde

4-Hydroxy-m-anisaldehyde

2-Methoxy-4-formylphenol

Zimco

Benzaldehyde, 4-hydroxy-3-methoxy-

p-Hydroxy-m-methoxybenzaldehyde

4-Hydroxy-3-methoxy-benzaldehyde

Methylprotocatechuic aldehyde

4-Formyl-2-methoxyphenol

Vanilin

Vanillin (natural)

4-Hydroxy-5-methoxybenzaldehyde

m-Anisaldehyde, 4-hydroxy-

Protocatechualdehyde, methyl-

FEMA No. 3107

vaniline

Rhovanil

Protocatechualdehyde 3-methyl ether

Vanillin (NF)

NSC 15351

m-Methoxy-p-hydroxybenzaldehyde

CCRIS 2687

Vanillin Melting Point Standard

HSDB 1027

Vanillin, natural

EINECS 204-465-2

NSC-15351

NSC-48383

Vanillin [NF]

NSC-403658

UNII-CHI530446X

BRN 0472792

Vanillin (Standard)

CHEBI:18346

4-hydroxy-3-methoxy-benzyldehyde

AI3-00093

NPLC-0145

CHI530446X

MFCD00006942

CHEMBL13883

DTXSID0021969

VANILLIN (METHOXY-13C)

EC 204-465-2

H-0264

4-08-00-01763 (Beilstein Handbook Reference)

NSC15351

4-HYDROXY,3-METHOXY-BENZALDEHYDE

NCGC00091645-03

4-hydroxy-3-methoxybenzaldehyde (vanillin)

VANILLIN (II)

VANILLIN [II]

VANILLIN (MART.)

VANILLIN [MART.]

WLN: VHR DQ CO1

Vanillin [USAN]

DTXCID301969

VANILLIN (EP MONOGRAPH)

VANILLIN [EP MONOGRAPH]

Vanillinum

Oleoresin vanilla

Vanilla oleoresin

CAS-121-33-5

3-methoxy-4-hydroxy-benzaldehyde

oleo-Resins vanilla

V55

Vanillin sodium salt

VANILLIN [FHFI]

VANILLIN [HSDB]

VANILLIN [INCI]

FEMA Number 3107

oleo-Resins vanilla-bean

VANILLIN [FCC]

4-Hydroxy-3-methoxybenzaldehyde(Vanilline)

VANILLIN [MI]

VANILLIN [VANDF]

methyl-Protocatechualdehyde

bmse000343

bmse000597

bmse010006

Methylprotcatechuic aldehyde

VANILLIN [USP-RS]

VANILLIN [WHO-DD]

SCHEMBL1213

MLS002303069

BIDD:ER0330

Vanillin, puriss., 99.5%

GTPL6412

SGCUT00016

4-hydroxy 3-methoxybenzaldehyde

METHYLPROTOCATECHUALDEHYDE

FEMA 3107

HY-N0098R

Vanilla oleoresin (vanilla SPP)

3-methoxy-4-hydroxy benzaldehyde

4-hydroxy-3-methoxy benzaldehyde

VANILLIN, NATURAL [FHFI]

3-methoxy-4-hydroxy benzoaldehyde

Vanillin, ReagentPlus(R), 99%

4-hydroxy-3-(methoxy)benzaldehyde

HMS3651D20

HMS3885K07

Vanillin, >=97%, FCC, FG

4-hydoxy-3-(methyloxy)benzaldehyde

BCP29943

HY-N0098

NSC48383

STR01001

to_000089

Tox21_113534

Tox21_201925

Tox21_300352

4-hydoxy-3-(methyloxy)benz aldehyde

BBL011956

BDBM50177405

MFCD08702848

NSC403658

s3071

STK199262

AKOS000118929

Tox21_113534_1

CCG-266230

CS-W020052

MCULE-1294709490

Vanillin, tested according to Ph.Eur.

NCGC00091645-01

NCGC00091645-02

NCGC00091645-04

NCGC00091645-05

NCGC00091645-07

NCGC00254468-01

NCGC00259474-01

Vanillin, natural, >=97%, FCC, FG

AC-10370

BP-10602

NCI60_001085

SMR000156285

SY224451

Vanillin 1000 microg/mL in Acetonitrile

Vanillin, JIS special grade, >=98.0%

Vanillin, Vetec(TM) reagent grade, 98%

3-Methoxy-4-hydroxybenzaldehyde (vanillin)

DB-003805

AM20060497

CS-0694801

H0264

NS00009754

SW219190-1

V0080

EN300-18281

vanillin (3-methoxy-4-hydroxy- benzaldehyde)

A19444

C00755

D00091

Q33495

4-Hydroxy-3-methoxybenzaldehyde inclusion complex

Vanillin (83 degrees C) Melting Point Standard

4-hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin

4-hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)

AC-907/21098004

Q-100102

Vanillin, TraceCERT(R), certified reference material

Z57772449

F2190-0587

Vanillin, European Pharmacopoeia (EP) Reference Standard

1-(AMINOMETHYL)-CYCLOPROPANECARBOXYLICACIDETHYLESTER

Mettler-Toledo Calibration substance ME 51143093, Vanillin

Vanillin, United States Pharmacopeia (USP) Reference Standard

NSC 15351;NSC-15351; NSC15351 pound>>4-Hydroxy-3-methoxybenzaldehyde

Vanillin, Pharmaceutical Secondary Standard; Certified Reference Material

InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H

Vanillin Melting Point Standard, United States Pharmacopeia (USP) Reference Standard

Mettler-Toledo Calibration substance ME 51143093, Vanillin, traceable to primary standards (LGC)

Vanillin melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for vanillin for the neutral species is estimated as 2.1X10-9 atm-cu m/mole(SRC) derived from its vapor pressure, 1.18X10-4 mm Hg(1), and water solubility, 1.102X10+4 mg/L(2). This Henry's Law constant indicates that vanillin is expected to be essentially nonvolatile from water surfaces(3). Vanillin 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 et al; Handbook of Aqueous Solubility Data. 2nd ed. Boca Raton, FL: CRC Press p. 480 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of vanillin can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that vanillin is expected to have very high mobility in soil. The pKa of vanillin is 7.4(3), indicating that this compound will partially exist in anion form in the environment and anions generally 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. 4.1. Nov, 2012. Available from, as of June 16, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Serjeant EP, Dempsey B; Ionisation constants of organic acids in aqueous solution. IUPAC Chem Data Ser No.23. New York, NY: Pergamon pp. 989 (1979) (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-Hydroxycinnamic acid

614-60-8

trans-2-Hydroxycinnamic acid

o-Coumaric acid

2-Coumaric acid

trans-o-Hydroxycinnamic acid

trans-o-Coumaric acid

583-17-5

3-(2-hydroxyphenyl)acrylic acid

(E)-o-Hydroxycinnamic acid

2-Coumarate

2-Hydroxycinnamate

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

trans-2-Hydroxycinnamate

o-Hydroxy-trans-cinnamic acid

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

2-Hydroxycinnamic acid, (E)-

(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID

CINNAMIC ACID, o-HYDROXY-, (E)-

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

(E)-2-hydroxycinnamic acid

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

trans-2-coumaric acid

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

CCRIS 5834

o-coumarate

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

UNII-23AU5FZB9C

EINECS 210-386-4

23AU5FZB9C

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

NSC 32952

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

O-Hydroxycinnamic acid

BRN 1100900

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

CHEBI:18125

2-Hydroxycinnamic acid, (2E)-

2-Hydroxycinnamic acid, predominantly trans

NSC-32952

O-TRANS-COUMARIC ACID

CHEMBL52564

FEMA NO. 4700

(E)-3-(2-HYDROXY-PHENYL)-ACRYLIC ACID

MFCD00004379

2-HYDROXYCINNAMIC ACID, TRANS-

2-Hydroxycinamic acid

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

o-Hydroxycinnamate

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

trans-o-Coumarate

ortho-Hydroxycinnamate

trans-o-Cumaric Acid

(E)-Coumarinic Acid

trans-o-Hydroxycinnamate

O- COUMARIC ACID

o-Hydroxy-trans-cinnamate

(E)-o-Hydroxycinnamicacid

bmse000347

Cinnamic acid, o-hydroxy-

WLN: QV1U1R BQ

SCHEMBL64885

(2E)-2-hydroxycinnamic acid

3-(2-hydroxyphenyl)acrylicacid

QSPL 150

CHEBI:18176

trans-o-HydroxyzimtsA currencyure

AMY4052

DTXSID10883240

NSC32952

BBL013048

BDBM50146462

STK301745

AKOS003790794

CS-W013247

DB01650

HY-W012531

MCULE-5451854573

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

CINNAMIC ACID,2-HYDROXY (TRANS)

trans-3-(2-hydroxyphenyl)propenoic acid

AS-12449

NS00014689

C01772

2-Hydroxycinnamic acid, predominantly trans, 97%

A833239

A869477

Q7072006

TRANS-2-HYDROXYCINNAMIC ACID; O-COUMARIC ACID

F2191-0203

(2E)-3-(2-hydroxyphenyl)acrylic acid predominately trans-

90E8F55A-AB69-4720-95AF-747C2DCA5471

2-Hydroxycinnamic acid = o-Hydroxycinnamic acid = o-Coumaric acid

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)

naringin

10236-47-2

aurantiin

Naringoside

Naringenin 7-Rhamnoglucoside

(2S)-Naringin

Naringenin 7-O-neohesperidoside

UNII-N7TD9J649B

N7TD9J649B

CHEBI:28819

Naringenine-7-rhamnosidoglucoside

Naringenin-7-beta-neohesperidoside

EINECS 233-566-4

4'5-diOH-Flavone-7-rhgluc

AI3-19008

CHEMBL451532

7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihyd

DTXSID6022478

NARINGENIN-7-RHAMNOGLUCOSIDE

(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2

(S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy

4',5,7-Trihydroxyflavanone-7-rhamnoglucoside

NARINGIN (USP-RS)

NARINGIN [USP-RS]

5-Hydroxy-2-(4-hydroxyphenyl)-7-(2-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)-4-chromanon

7-(2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-2,3-dihydro-4',5,7-trihydroxyflavone

4',5,7-trihydroxyflavanone 7-rhamnoglucoside

Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside

naringenin 7-O-(alpha-L-rhamnosyl-(1,2)-beta-D-glucoside)

Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]

MFCD00148888

(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannapyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl), (S)-

SR-01000736681

naringenin-7-hesperidoside

Naringenin 7-O-(alpha-L-rhamnosyl-(1->2)-beta-D-glucoside)

Naringin extract

Naringenin,(S)

(S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2-yloxy)-5-

Naringenin Glycoside

Naringin (Naringoside)

NARINGIN [INCI]

NARINGIN [MI]

132203-74-8

Prestwick0_000467

Prestwick1_000467

Prestwick2_000467

Prestwick3_000467

AURANTIIN [WHO-DD]

SCHEMBL23432

BSPBio_000574

cid_25075

MLS000069459

BIDD:ER0262

DivK1c_000247

SPBio_002513

BPBio1_000632

cid_442428

DTXCID302478

GTPL4738

MEGxp0_001877

ACon1_000139

HMS500M09

KBio1_000247

NINDS_000247

CITRUS NARINGININE [VANDF]

HMS2231M18

HY-N0153

BDBM50241582

s2329

AKOS016034302

CCG-208591

CS-5632

MCULE-5348711723

IDI1_000247

NCGC00142617-01

NCGC00142617-02

NCGC00142617-03

1ST40036

AS-12929

SMR000059108

XN167836

NS00014639

C09789

A800566

Q418469

SR-01000736681-4

SR-01000736681-5

BRD-K02953697-001-09-2

BRD-K02953697-002-03-3

(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-betaD-glucopyranoside

(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydro

(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)ch

(2S)-7-[(2S,4S,5S,3R,6R)-3-((2S,6S,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4, 5,6-tetrahydropyran-2-yloxy))-4,5-dihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetra hy

(2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxypheny

(S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yloxy)-

4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-

4H-1-Benzopyran-4-one,7-[[2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-,(S)-

7-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE

7-[[2-O-(6-Deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5-hydroxy-2(S)-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

ZWN

3,4-DIHYDROXYBENZOIC ACID

protocatechuic acid

99-50-3

Protocatehuic acid

4-Carboxy-1,2-dihydroxybenzene

protocatechuate

4,5-Dihydroxybenzoic acid

Benzoic acid, 3,4-dihydroxy-

3,4-dihydroxybenzoate

CCRIS 6291

protocatechuicacid

EINECS 202-760-0

UNII-36R5QJ8L4B

MFCD00002509

NSC 16631

BRN 1448841

36R5QJ8L4B

DTXSID4021212

CHEBI:36062

PROTOCATECHOIC ACID

NSC-16631

Catechol-4-carboxylic Acid

3, 4-Dihydroxybenzoic acid

CHEMBL37537

MLS000737807

DTXCID601212

FEMA NO. 4430

PROTOCATECHUIC ACID (PCA)

DIHYDROXYBENZOIC ACID, 3,4-

1ykp

DROXIDOPA METABOLITE (PROTOCATECHOIC ACID)

3,4-Dihydroxy Benzoic Acid

NSC16631

DB03946

SMR000528167

C00230

D-3487

Hypogallic acid

b-Resorcylate

beta-Resorcylate

ProtocatechicAcid

b-resorcylic acid

4fht

Protacatechuic Acid

ZINCSELENITE

Carbohydroquinonic acid

cid_72

Protocatechuic Acid,(S)

Protocatechuic acid (M1)

bmse000328

3,4-dihydroxy-benzoic acid

3,4-dihydroxybenzoic acid (protocatechuic acid)

SCHEMBL39435

3,4-Dihydroxybenzoate, VIII

Pyrocatechol-4-carboxylic Acid

PROTOCATECHUIC ACID [MI]

HMS2270A17

KUC104409N

HY-N0294

Tox21_200167

BBL012232

BDBM50100861

s3975

STL163570

AKOS000119632

AC-9617

CCG-207950

CS-6092

KSC-10-128

MCULE-8964889860

CAS-99-50-3

NCGC00246757-01

NCGC00246757-02

NCGC00257721-01

3,4-DIHYDROXYBENZOIC ACID [INCI]

AS-10808

SY014104

DB-021903

AM20060767

NS00014667

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

EN300-21544

3,4-Dihydroxybenzoic acid, analytical standard

F11285

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

A846038

AE-562/40524392

Q418599

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

Z104501142

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

PROTOCATECHOIC ACID (CONSTITUENT OF MARITIME PINE)

Protocatechuic acid, primary pharmaceutical reference standard

PROTOCATECHOIC ACID (CONSTITUENT OF MARITIME PINE) [DSC]

Protocatechuic acid, United States Pharmacopeia (USP) Reference Standard

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

1225528-47-1

4-HYDROXYBENZOIC ACID

99-96-7

p-Hydroxybenzoic acid

4-Carboxyphenol

p-Salicylic acid

Benzoic acid, 4-hydroxy-

para-Hydroxybenzoic acid

Benzoic acid, p-hydroxy-

p-carboxyphenol

Paraben-acid

4-Hydroxybenzoesaeure

p-Oxybenzoesaure

Kyselina 4-hydroxybenzoova

p-Oxybenzoesaure [German]

4-Hydroxybenzoicacid

NSC 4961

PHBA

parahydroxybenzoic acid

Acido p-idrossibenzoico

4-hydroxy-benzoic acid

Hydroxybenzoic acid

HSDB 7233

Acido p-idrossibenzoico [Italian]

Kyselina 4-hydroxybenzoova [Czech]

EINECS 202-804-9

UNII-JG8Z55Y12H

CCRIS 8812

JG8Z55Y12H

DTXSID3026647

CHEBI:30763

HYDROXYBENZOIC ACID, PARA

p-hydroxy benzoic acid

AI3-01003

p-hydroxy-Benzoic acid

NSC-4961

Benzoic acid, 4-hydroxy

Hydroxybenzenecarboxylic acid

4-HBA

CHEMBL441343

DTXCID806647

FEMA NO. 3986

EC 202-804-9

MFCD00002547

3pcc

3pch

4-hydroxy-benzoate

4-hydroxy benzoic acid

Benzoic acid, p-hydroxy

WLN: QVR DQ

PHB

CAS-99-96-7

NSC4961

SALICYLIC ACID IMPURITY A (EP IMPURITY)

SALICYLIC ACID IMPURITY A [EP IMPURITY]

DB04242

NCGC00166040-01

ACETYLSALICYLIC ACID IMPURITY A (EP IMPURITY)

ACETYLSALICYLIC ACID IMPURITY A [EP IMPURITY]

PROPYL HYDROXYBENZOATE IMPURITY A (EP IMPURITY)

PROPYL HYDROXYBENZOATE IMPURITY A [EP IMPURITY]

METHYL PARAHYDROXYBENZOATE IMPURITY A (EP IMPURITY)

METHYL PARAHYDROXYBENZOATE IMPURITY A [EP IMPURITY]

C00156

p-Salicylate

AE-848/32195059

p-hydroxy-Benzoate

4-hydoxybenzoic acid

4-hyroxybenzoic acid

phenol derivative, 8

4-hydroxylbenzoic acid

4-Hydroxy-benzoesaeure

4-hydroxybenzoi c acid

PHLORETIN_met004

4-hydroxyl benzoic acid

4-Hydroxybenzoate, III

AVOBENZONE_met002

para-hydroxy benzoic acid

bmse000092

bmse000583

SCHEMBL4110

BIDD:ER0706

4-Hydroxybenzenecarboxylic acid

p-Hydroxybenzoic Acid, Reagent

BDBM26194

P-HYDROXYBENZOIC ACID [MI]

CS-D1180

HY-Y0264

STR01287

Tox21_202342

Tox21_303301

AC-008

BBL011981

s3754

STL138745

4-HYDROXYBENZOIC ACID [FHFI]

4-HYDROXYBENZOIC ACID [HSDB]

4-HYDROXYBENZOIC ACID [INCI]

4-Hydroxybenzoic acid, >=99%, FG

AKOS000119033

AM87513

CCG-266143

MCULE-1367764897

NCGC00166040-02

NCGC00257058-01

NCGC00259891-01

H0207

NS00005418

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

EN300-21461

D86505

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

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

A858402

Q229970

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

J-660066

W-100004

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

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

F2191-0237

Z104498098

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

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

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

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

30729-36-3

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

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

ferulic acid

trans-Ferulic Acid

1135-24-6

537-98-4

4-Hydroxy-3-methoxycinnamic acid

trans-4-Hydroxy-3-methoxycinnamic acid

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

(E)-Ferulic acid

Coniferic acid

ferulate

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

Ferulic acid, trans-

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

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

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

Cinnamic acid, 4-hydroxy-3-methoxy-

3-methoxy-4-hydroxycinnamic acid

Fumalic acid

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

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

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

UNII-AVM951ZWST

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

AVM951ZWST

4-Hydroxy-3-methoxy cinnamic acid

EINECS 208-679-7

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

MFCD00004400

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

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

CCRIS 3256

CCRIS 7127

CIS-FERULICACID

CHEBI:17620

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

HSDB 7663

NSC 2821

NSC-2821

EINECS 214-490-0

NSC 51986

NSC-51986

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

NSC 674320

Fumalic acid (Ferulic acid)

4-Hydroxy-3-methoxycinnamate

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

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

CHEMBL32749

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

NSC2821

3-Methoxy-4-hydroxy-trans-cinnamate

NSC-674320

97274-61-8

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

(E)-Ferulate

trans-Ferulic Acid (purified by sublimation)

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

FERULIC ACID (USP-RS)

FERULIC ACID [USP-RS]

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

caffeic acid 3-methyl ether

ferulic acid, (E)-isomer

SMR000112202

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

DTXSID5040673

ferulasaure

Ferulicacid

trans-Ferulate

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

CCRIS 7575

trans-FerulicAcid

Ferulic acid, E-

(E)-Coniferic acid

trans-4-Hydroxy-3-methoxycinnamicacid

Ferulic acid (M5)

Ferulic Acid ,(S)

FERULIC-ACID

CURCUMIN_met040

Spectrum5_000554

bmse000459

bmse000587

bmse010211

FERULIC ACID [MI]

trans-Ferulic acid, 99%

FERULIC ACID [HSDB]

FERULIC ACID [INCI]

SCHEMBL15673

BSPBio_003168

MLS001066385

MLS001332483

MLS001332484

MLS002207079

MLS006011435

SPECTRUM1501017

trans-Ferulic acid, >=99%

FERULIC ACID [WHO-DD]

DTXCID3020673

DTXSID70892035

HMS1921D05

HMS2269P04

(E)-4-Hydroxy-3-methoxycinnamate

trans-4-Hydroxy-3-methoxycinnamate

BCP21231

BCP21789

HY-N0060

NSC51986

STR00961

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

TRANS-FERULIC ACID [WHO-DD]

(E)4-hydroxy-3-methoxycinnamic acid

AC7905

BBL010345

BDBM50214744

CCG-38860

s2300

STK801551

AKOS000263735

AC-7965

BCP9000163

DB07767

PS-3435

SDCCGMLS-0066667.P001

trans-3-methoxy-4-hydroxycinnamic acid

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

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

4-Hydroxy-3-methoxycinnamic acid, trans

NCGC00094889-01

NCGC00094889-02

NCGC00094889-03

NCGC00094889-04

1ST40035

AC-10321

BS-17543

SMR004703246

AM20060784

CS-0007108

F1257

H0267

NS00068201

SW219616-1

EN300-16798

C01494

F-2000

A829775

FERULIC ACID (CONSTITUENT OF BLACK COHOSH)

Q417362

SR-01000765539

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

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

J-002980

SR-01000765539-3

Z56782558

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

FERULIC ACID (CONSTITUENT OF BLACK COHOSH) [DSC]

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

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

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

Ferulic acid, European Pharmacopoeia (EP) Reference Standard

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

Ferulic acid, United States Pharmacopeia (USP) Reference Standard

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

Ferulic Acid, Pharmaceutical Secondary Standard; Certified Reference Material

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

Ferulic acid, with a pKa of 4.58(1), will almost entirely exist in the anion form in the environment at pH values of 5 to 9, and therefore ferulic acid is expected to be essentially nonvolatile from water surfaces and moist soil(2). Ferulic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.7X10-6 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chem Data Ser No.23. NY,NY: Pergamon pp. 989 (1979) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p.31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

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

The Koc of ferulic acid is estimated as 57(SRC), using a log Kow of 1.51(1)(SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ferulic acid is expected to have high mobility in soil. The pKa of ferulic acid is 4.58(4), indicating that this compound will almost entirely exist in the anion form in the environment. Anions generally do not adsorb more strongly to soils containing organic carbon and clay, in comparison with their neutral counterparts(5).
Literature: (1) Hansch et al; Exploring QSAR: Hydrophobic, Electronic and Steric Constants. Washington, DC: Amer Chem Soc pp.99 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chem Data Ser No.23. NY,NY: Pergamon pp. 989 (1979) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Homogentisic acid

451-13-8

2,5-Dihydroxyphenylacetic acid

Alcapton

Homogentisate acid

Homogentisinic acid

2-(2,5-dihydroxyphenyl)acetic acid

homogentisate

(2,5-Dihydroxyphenyl)acetic acid

Benzeneacetic acid, 2,5-dihydroxy-

2,5-Dihydroxybenzeneacetic acid

2,5-Dihydroxy-alpha-toluic acid

Melanic acid

2,5-Dihydroxyphenylacetate

2,5-DHPOP

Acetic acid, (2,5-dihydroxyphenyl)-

BRN 2692860

2-(3,6-DIHYDROXYPHENYL)ACETIC ACID

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

NP8UE6VF08

MFCD00004324

NSC-88940

71694-00-3

2,5-dihydroxy-benzeneacetic acid

EINECS 207-192-7

NSC 88940

UNII-NP8UE6VF08

Homogentisinate

1ajp

4aq6

2,5-Dihydroxy-a-toluate

bmse000200

2,5-Dihydroxy-alpha-toluate

2,5-Dihydroxy-benzeneacetate

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

2,5-Dihydroxy-a-toluic acid

Homogentisic acid, crystalline

SCHEMBL155333

HOMOGENTISIC ACID [MI]

(2,5-dihydroxyphenyl)-Acetate

Benzeneacetic acid,5-dihydroxy-

DTXSID1060005

Acetic acid,5-dihydroxyphenyl)-

CHEBI:44747

2-(2,5-dihydroxyphenyl)aceticacid

(2,5-dihydroxyphenyl)-Acetic acid

NSC88940

s9352

Homogentisic acid, analytical standard

AKOS004910342

DB08327

1ST40047

AS-19326

SY051598

DB-020087

HY-113283

CS-0059508

D1050

NS00015132

C00544

T70932

A826718

Q416054

W-109536

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

HQ9

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