hydroxycinnamate

p-Hydroxyphenylacrylate

4-Hydroxyphenylpropenoate

Hydroxycinnamic acid

Naringeninic acid

NGSWKAQJJWESNS-ZZXKWVIFSA-N

p-Hydroxycinnamate

p-Hydroxyphenylacrylic acid

4-Hydroxycinnamicacid

p-Caumaric acid dehydrogenation homopolymer

trans-p-Hydroxycinnamate

4-Hydroxycinnamate

4'-Hydroxycinnamate

Coumaric Acid

p-Hydroxy-cinnamicacid

p-Hydroxycinnamic acid

Para coumarate

Para-Coumarate

AC1LCUFZ

4'-hydroxycinnamic acid

p-Cumarate

Para coumaric acid

Para-Coumaric acid

trans-4-hydroxycinnamate

trans-p-Hydroxycinnamic acid

4-Hydroxycinamic acid

4-Hydroxycinnamic acid

4qem

trans-p-coumarate

4-coumarate

4-Hydroxy cinnamate

p-coumaric acid

p-Cumaric acid

p-Hydroxy-cinnamic acid

P-HYDROXYL CINNAMIC ACID

trans-4-Hydroxycinnamic acid

trans-p-Coumarinic acid

4f8j

IBS9D1EU3J

p-Coumaric acid, primary pharmaceutical reference standard

p-Coumaric acid,trans

trans-p-Coumaric acid

4-Coumaric acid

E-4-Hydroxycinnamic Acid

p-Hydroxycinnamic acid, trans

trans-p-Cumaric Acid

4-hydroxy cinnamic acid

C9H8O3

PubChem8247

UNII-IBS9D1EU3J

AC1Q5T95

AC1Q71H0

BDBM4374

beta-[4-Hydroxyphenyl]acrylate

GTPL5787

trans-4-coumaric acid

trans-p-Coumaric acid, analytical standard

b-[4-Hydroxyphenyl]acrylate

CHEMBL66879

p-Coumaric acid, trans

PubChem24323

SCHEMBL39106

beta-(4-Hydroxyphenyl)acrylic acid

beta-[4-Hydroxyphenyl]acrylic acid

HMDB02035

N1817

ZINC39811

AN-287

AS03322

DB04066

LS30305

NSC59260

RP09062

RP17402

(E)-p-Hydroxycinnamic acid

3-(4-hydroxyphenyl)acrylate

b-[4-Hydroxyphenyl]acrylic acid

bmse000150

bmse000591

bmse010208

C00811

Cinnamic acid, p-hydroxy-

HMS1409E10

AK134594

BBL012226

COUMARIC ACID, TRANS-P-

DNC010454

DTXSID6064660

MP-2217

NSC674321

OR001906

OR335545

OR335546

SBB007613

ST093691

STL163567

(E)-4-hydroxycinnamic acid

3-(4-hydroxyphenyl)acrylic acid

CHEBI:32374

CHEBI:36090

p-hydroxycinnamic acid (M4)

(E)-p-Coumaric acid

4CN-0926

AC-10318

AJ-08911

AK-26304

AKOS BAR-2479

AX8022446

BCP9001042

BP-13278

BR-26304

KB-72564

LS-54111

LS-54112

NSC 59260

NSC-59260

SC-25929

SC-65982

ST2402517

TL8005115

ATTERCOP-CHM AT113965

BB_NC-2249

MFCD00004399

RARECHEM BK HW 0163

ZX-AT011614

AM20050138

NSC 674321

NSC-674321

RTR-017943

RTR-023948

ST24022578

TC-164240

TIMTEC-BB SBB007613

TR-017943

TR-023948

.beta.-[4-Hydroxyphenyl]acrylic acid

AKOS 221-47

AKOS000120685

I01-9546

I01-9648

I04-0102

Q-100560

W-104438

BRN 2207381

BRN 2207383

FT-0618278

FT-0623944

FT-0649249

FT-0650655

MLS001066419

SMR000112201

LABOTEST-BB LT00452637

LABOTEST-BB LT03329617

3-(4-Hydroxyphenyl)-2-propenoate

501-98-4

F2191-0188

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

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

4-coumaric acid, (E)-isomer

4501-31-9

7400-08-0

Cinnamic acid, 4-hydroxy-, trans-

NCGC00246974-01

EINECS 231-000-0

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

50940-26-6

OTAVA-BB 7020400347

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

MolPort-000-860-894

MolPort-004-288-351

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

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

AE-562/40414679

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

(E)-3-(4-HYDROXY-PHENYL)-ACRYLIC ACID

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

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

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

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

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

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

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

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

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

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

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

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

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

2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- (9CI)

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

Benzenecarboxylate

Carboxypolystyrene

Benzenemethanoate

Benzeneformate

Carboxybenzene

benzenecarboxylic acid

Benzenemethanoic acid

Benzoesaeure

phenylcarboxy

Phenylcarboxylic acid

Phenylformate

Benzenemethonic acid

Benzoicacid

Benzeneformic acid

Diacylate

Dracylate

Kyselina benzoova

phenylformic acid

Retardex

Tennplas

WPYMKLBDIGXBTP-UHFFFAOYSA-N

Acide benzoique

Aromatic carboxylic acid

Benzoesaeure GK

Benzoesaeure GV

Acido benzoico

Aromatic acid

Benzoic acid,medicinal

Diacylic acid

Dracylic acid

Oracylic acid

Phenyl carboxylic acid

ScavengePore™ benzoic acid

benzoic acid

Benzoic acid Natural

BOX

Natural Benzoic Acid

Retarded BA

Retarder BA

Retarder BAX

Salvo liquid

Salvo powder

Solvo powder

Unisept BZA

Flowers of benjamin

Flowers of benzoin

phenyl formic acid

Sodium benzoic acid

Tenn-Plas

1gyx

1kqb

Benzoic Acid USP

Benzoic acid, analytical standard

MP Benzoic acid

8SKN0B0MIM

Benzoesaeure [German]

CHEMBL541

Salvo, liquid

Solvo, powder

AC1L18SV

AC1Q73KP

Benzoic acid, meets USP testing specifications

BENZOIC ACID, ACS

Benzoic acid, ammonium salt

Benzoic acid, tech

C7H6O2

HA 1

NSC149

SCHEMBL1378

UNII-8SKN0B0MIM

WLN: QVR

Acide benzoique [French]

Acido benzoico [Italian]

E210

K073

KSC352Q8R

Kyselina benzoova [Czech]

ZINC1011

ACMC-1BI02

ARONIS27062

Benzoate (VAN)

Benzoic acid (natural)

Benzoic acid / Benzoate

NSC7918

B0062

B2635

BENZOIC ACID- D5

Benzoic acid, pharmaceutical secondary standard; traceable to USP

CTK2F2888

HMDB01870

HSDB 704

AS04617

Benzoic acid, tech.

BIDD:ER0597

DB03793

LS-280

LS41489

NE10192

NSC 149

NSC-149

RL04514

SAMPL4, O1

BDBM197302

Benzoic acid (TN)

BENZOIC ACID,99%,EXTRA PURE

bmse000300

C00180

C00539

CCRIS 1893

D00038

DSSTox_CID_143

E 210

HMS2092F18

HMS2267D03

HMS3652B03

AK109354

Benzoic acid [USAN:JAN]

Benzoic acid, European Pharmacopoeia (EP) Reference Standard

BS-3752

BT000118

DTXSID6020143

NSC758203

OR033950

OR320218

OR321743

SBB040515

STK301730

A835250

Benzoic acid [USP:JAN]

CHEBI:30746

PHENYL, 4-CARBOXY-

4CN-0999

AB1002068

AI3-0310

AJ-07949

AN-22195

AN-23749

ANW-35104

ANW-44013

Benzoic acid, United States Pharmacopeia (USP) Reference Standard

BP-30148

DSSTox_GSID_20143

KB-75310

SC-46861

TRA0015745

TRA0068106

Caswell No. 081

DSSTox_RID_75396

MFCD00002398

MFCD03456189

AI3-03710

Benzoic acid, purified by sublimation, >=99%

CCG-213088

DB-029471

HA 1 (acid)

NSC-758203

RT-004576

RTR-032704

ST24030107

ST45061539

TR-035735

AKOS000119619

Benzoic acid (JP17/USP)

Benzoic acid, AR, >=99%

Benzoic acid, LR, >=99%

Benzoic acid, tested according to Ph.Eur.

EPA Pesticide Chemical Code 009101

Epitope ID:139965

I01-1943

Z57127480

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

FEMA No. 2131

FT-0622705

MLS002415717

SMR001252220

65-85-0

Tox21_202403

Tox21_300180

Benzoic acid, ReagentPlus(R), 99%

F2191-0092

CAS-65-85-0

Melting point standard 121-123C, analytical standard

8013-63-6

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

Benzoic acid, ACS reagent, >=99.5%

MCULE-4467353796

NCGC00091886-01

NCGC00091886-02

NCGC00091886-03

NCGC00254112-01

NCGC00259952-01

AB00949635_05

AB00949635_06

EINECS 200-618-2

Benzoic acid, 99% 250g

Benzoic acid, SAJ special grade, >=99.5%

Pharmakon1600-01503001

606-EP2269610A2

606-EP2269988A2

606-EP2270002A1

606-EP2270006A1

606-EP2270008A1

606-EP2270009A1

606-EP2270010A1

606-EP2270011A1

606-EP2270114A1

606-EP2272822A1

606-EP2272827A1

606-EP2272848A1

606-EP2274983A1

606-EP2275105A1

606-EP2275401A1

606-EP2275413A1

606-EP2277507A1

606-EP2277848A1

606-EP2277867A2

606-EP2277870A1

606-EP2277879A1

606-EP2277881A1

606-EP2280003A2

606-EP2280010A2

606-EP2281559A1

606-EP2281563A1

606-EP2281812A1

606-EP2281819A1

606-EP2281823A2

606-EP2284146A2

606-EP2284147A2

606-EP2284149A1

606-EP2284160A1

606-EP2284165A1

606-EP2284169A1

606-EP2284178A2

606-EP2284179A2

606-EP2286795A1

606-EP2287153A1

606-EP2287156A1

606-EP2287161A1

606-EP2287162A1

606-EP2287165A2

606-EP2287166A2

606-EP2289510A1

606-EP2289876A1

606-EP2289883A1

606-EP2289890A1

606-EP2292592A1

606-EP2292597A1

606-EP2292617A1

606-EP2292619A1

606-EP2292620A2

606-EP2292621A1

606-EP2292624A1

606-EP2295401A2

606-EP2295402A2

606-EP2295416A2

606-EP2295418A1

606-EP2295424A1

606-EP2295426A1

606-EP2295427A1

606-EP2295429A1

606-EP2295433A2

606-EP2295438A1

606-EP2295550A2

606-EP2298734A2

606-EP2298735A1

606-EP2298742A1

606-EP2298744A2

606-EP2298748A2

606-EP2298755A1

606-EP2298758A1

606-EP2298759A1

606-EP2298772A1

606-EP2298776A1

606-EP2298783A1

606-EP2301536A1

606-EP2301538A1

606-EP2301911A1

606-EP2301924A1

606-EP2301925A1

606-EP2301929A1

606-EP2301931A1

606-EP2301935A1

606-EP2301937A1

606-EP2301939A1

606-EP2301940A1

606-EP2305250A1

606-EP2305257A1

606-EP2305646A1

606-EP2305651A1

606-EP2305659A1

606-EP2305662A1

606-EP2305664A1

606-EP2305668A1

606-EP2305669A1

606-EP2305672A1

606-EP2305674A1

606-EP2305675A1

606-EP2305679A1

606-EP2305687A1

606-EP2308833A2

606-EP2308839A1

606-EP2308848A1

606-EP2308851A1

606-EP2308854A1

606-EP2308857A1

606-EP2308858A1

606-EP2308861A1

606-EP2308865A1

606-EP2308873A1

606-EP2308875A1

606-EP2308877A1

606-EP2311455A1

606-EP2311801A1

606-EP2311802A1

606-EP2311803A1

606-EP2311807A1

606-EP2311809A1

606-EP2311810A1

606-EP2311811A1

606-EP2311815A1

606-EP2311816A1

606-EP2311817A1

606-EP2311818A1

606-EP2311831A1

606-EP2311842A2

606-EP2314295A1

606-EP2314579A1

606-EP2314584A1

606-EP2314588A1

606-EP2314593A1

606-EP2316457A1

606-EP2316458A1

606-EP2316459A1

606-EP2316825A1

606-EP2316826A1

606-EP2316827A1

606-EP2316828A1

606-EP2316836A1

606-EP2371814A1

606-EP2371831A1

606-EP2372017A1

606-EP2374788A1

606-EP2377845A1

Benzoic acid, SAJ first grade, >=99.5%

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

SR-05000001919

117500-35-3

331473-08-6

SBI-0206720.P001

MolPort-000-871-563

Benzoic acid, >=99.5%, FCC, FG

S4161,65-85-0

Benzoic acid, p.a., 99.5%

SR-05000001919-1

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

S4162,121-54-0

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

Benzoic acid on polystyrene, 1.6-2.1 mmol/g

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

Benzoic acid, USP, 99.5-100.5%

0BE368DC-6DE6-4927-AECF-E4BB2968A4A0

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

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

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

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

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

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

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

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

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

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

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

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

AC1LDCW9

5-Sulfosalicylic acid hydrate

7855AF

ACMC-20am1f

CTK4G5281

2-hydroxy-5-sulfobenzoic acid hydrate

SCHEMBL818713

C7H6O6S.H2O

HMS2289M10

AK260840

OR177683

CHEMBL1308853

5-Sulfosalicylic acid hydrate, 95%

DTXSID80349828

5-SULFOSALICYLIC ACID HYDRATE 95

TC-168234

J-017979

AKOS027288991

MLS000084589

ACM304851841

SMR000046135

304851-84-1

Benzoic acid,2-hydroxy-5-sulfo-, hydrate (1:1)

Caffeic acid dehydrogenation homopolymer

QAIPRVGONGVQAS-DUXPYHPUSA-N

trans-Caffeate

caffeic acid

Caffeic acid polymer

trans-caffeic acid

AC1LENC9

Caffeic acid-Supplied by Selleck Chemicals

3,4-Dihydroxybenzeneacrylic acid

CHEMBL145

PubChem8262

U2S3A33KVM

3,4-Dihydroxycinnamic acid

AC1Q71G3

BDBM4375

GTPL5155

SCHEMBL23358

UNII-U2S3A33KVM

Caffeic acid, trans-

CCRIS 847

Cinnamic acid,4-dihydroxy-

HMDB03501

N1735

S2277_Selleck

ZINC58172

3,4-Dihydroxy-trans-cinnamate

3,4-Dihydroxycinnamate, XVII

3,4-Dihydroxycinnamic acid, predominantly trans

ARONIS023304

BIDD:ER0456

Caffeic acid, 1

DB01880

LP00208

NSC57197

RP17448

3,4-Dihydroxy-cinnamic acid

C01197

C01481

HMS2235G09

HMS3260J17

HMS3649O17

HSDB 7088

SPECTRUM1503987

3,4-Dihydroxy-trans-cinnamic acid

AC-8006

AK165587

AN-8427

BBL012113

BT000234

DNC000378

LP059999

LS-1204

NSC623438

OR021480

SBB006475

ST057529

STK397812

C 0625

CHEBI:16433

CHEBI:36281

M-2623

4CN-0995

AB0008394

AB1002167

AJ-09823

AK-88787

BP-30112

Caffeic acid, United States Pharmacopeia (USP) Reference Standard

CCG-38895

KB-48626

KB-69811

NSC 57197

NSC-57197

Opera_ID_1700

SC-03536

ST2404720

2-Propenoic acid,4-dihydroxyphenyl)-

ACN-S002765

BB_NC-2102

MFCD00004392

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

AB00490047

ACN-035473

AI3-63211

cid_689043

NSC-623438

RTR-013891

TC-119661

TR-013891

3-(3,4-Dihydroxyphenyl)propenoic acid

AKOS000144463

I04-0025

(E)-3,4-dihydroxycinnamic acid

3-(3,4-dihydroxyphenyl)acrylic acid

EU-0100208

FT-0082321

FT-0614329

FT-0693125

MLS000069738

MLS001076493

MLS002207132

MLS002222302

MLS006011849

SMR000058214

SMR004703501

Cinnamic acid, 3,4-dihydroxy-

Tox21_500208

331-39-5

331-89-5

501-16-6

4-(2-Carboxyethenyl)-1,2-dihydroxybenzene

4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene

NCGC00017364-04

NCGC00017364-05

NCGC00017364-06

NCGC00017364-07

NCGC00017364-08

NCGC00017364-09

NCGC00017364-10

NCGC00017364-11

NCGC00017364-12

NCGC00017364-13

NCGC00022654-03

NCGC00022654-04

NCGC00022654-05

NCGC00022654-06

NCGC00022654-07

NCGC00022654-08

NCGC00022654-09

NCGC00260893-01

EINECS 206-361-2

71693-97-5

SDCCGMLS-0002982.P003

Caffeic acid, >=98.0% (HPLC)

3-(3,4-Dihydroxyphenyl)-2-propenoic acid

3-(3,4-dihydroxyphenyl)prop-2-enoic acid

3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer

MolPort-000-742-954

MolPort-006-717-538

(E)-3-(3,4-dihydroxyphenyl)acrylic acid

3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer

3-(3,4-Dihydroxy phenyl)-2-propenoic acid

(2E)-3-(3,4-dihydroxyphenyl)acrylic acid

Caffeic acid, purum, >=95.0% (HPLC)

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

(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer

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

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

(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

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

(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

BRD-K09900591-001-06-9

2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI)

Caffeic acid, matrix substance for MALDI-MS, >=99.0% (HPLC), powder, light beige

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

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

8B3E4DA7-F3B0-4972-A315-2E387071737F

InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2

The Henry's Law constant for caffeic acid is estimated as 1.4X10-16 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that caffeic acid is expected to be essentially nonvolatile from water surfaces(2). Caffeic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.5X10-7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

The Koc of caffeic acid is estimated as 100(SRC), using a log Kow of 1.15(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that caffeic acid is expected to have high mobility in soil. The pKa of caffeic acid is 4.62(4), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb to organic carbon and clay more strongly than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res. Lab., Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Serjeant EP, Dempsey B; Ionisation constants of organic acids in aqueous solution. IUPAC Chem Data Ser No. 23. NY, NY: Pergamon pp. 989 (1979) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

GALLICACID

LNTHITQWFMADLM-UHFFFAOYSA-N

gallate

gallic acid for microelectronic industrial

Gallicum acidum

Kyselina gallova

GALOP

Gallic acid

GALLIC ACID ANHYDROUS

GDE

Gallic Acid Hydrate

Gallic acid polymer

Pyrogallol-5-carboxylic acid

Gallic acid tech.

Gallic acid, tech

3,5-Trihydroxybenzoic acid

AC1Q732X

AC1Q732Y

GTPL5549

KSC175M1R

Kyselina gallova [Czech]

ZINC1504

ACMC-20aku5

ARONIS23903

CG0029

Gallic Acid, F

SCHEMBL15012

CTK0H5618

G0011

HMDB05807

N1830

SPECTRUM210369

T7419

3,4,5-Trihydroxybenzoate

AC1L1934

BIDD:ER0374

CHEMBL288114

CPD-183

Gallic acid, tech.

Kyselina 3,4,5-trihydroxybenzoova

LS-870

NSC20103

NSC36997

RP23206

632XD903SP

bmse000389

C01424

CCRIS 5523

DSSTox_CID_650

Gallic acid [NF]

HMS1923K07

HMS2091A07

HSDB 2117

(?)-Gallic acid

AC-1206

BBL009937

BC200279

BT000209

CA007911

DNC007143

DTXSID0020650

EBD679760

Jsp002851

NSC674319

NSC755825

OR182652

PS-8710

SBB008781

ST083487

STK298718

3,4,5-Trihydroxybenzoic acid

CHEBI:30778

SpecPlus_000307

Spectrum_000342

UNII-632XD903SP

3,4,5-trihydroxy-Benzoate

4CN-0954

AB1002218

AJ-08037

AK-65266

AN-15162

BSPBio_001668

CCG-38670

DSSTox_GSID_20650

Gallic acid, certified reference material, TraceCERT(R)

KBioGR_002008

KBioSS_000822

NSC 20103

NSC-20103

NSC-36997

SC-46383

ST2404570

BB_SC-2795

BDBM50085536

Benzoic acid,4,5-trihydroxy-

DSSTox_RID_75711

MFCD00002510

SPBio_000617

Spectrum2_000399

Spectrum3_000254

Spectrum4_001544

Spectrum5_000108

WLN: QVR CQ DQ EQ

3,4,5-Trihydroxybenzoic acid, anhydrous

AI3-16412

NSC 674319

NSC-674319

NSC-755825

RTR-020762

TR-020762

3,4,5-trihydroxy-Benzoic acid

3,4,5-Trihydroxybenzoic acid;

AKOS000119625

DivK1c_006403

I14-9302

KBio1_001347

KBio2_000822

KBio2_003390

KBio2_005958

KBio3_001168

Oprea1_087792

Q-201146

3,4,5-Trihydroxybenzoate, X

BRN 2050274

FT-0655615

Z966690556

5-Carboxybenzene-1,2,3-triol

Kyselina 3,4,5-trihydroxybenzoova [Czech]

Tox21_111089

Tox21_202515

138-57-8

149-91-7

F1908-0156

MCULE-1552954312

NCGC00091125-01

NCGC00091125-02

NCGC00091125-03

NCGC00091125-04

NCGC00091125-05

NCGC00091125-07

NCGC00260064-01

AB00052697_03

CAS-149-91-7

EINECS 205-749-9

Benzoic acid, 3,4,5-trihydroxy-

Pharmakon1600-00210369

SDCCGMLS-0066503.P001

SR-05000001537

Tox21_111089_1

Gallic acid, puriss., 98.0%

SBI-0052184.P002

MolPort-000-881-260

SR-05000001537-3

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

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

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

Gallic acid, 97.5-102.5% (titration)

BRD-K77345217-001-01-9

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

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

The Henry's Law constant for gallic acid is estimated as 8.5X10-20 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that gallic acid will be essentially nonvolatile from water surfaces(2,SRC). Gallic acid's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is not expected(SRC). Gallic acid is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 1.2X10-7 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985)

The Koc of gallic acid is estimated as approximately 57(SRC), using a measured log Kow of 0.70(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that gallic acid is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, And Steric Constants. ACS Prof Ref Book. Washington, DC: American Chemical Society (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

Pelargidenolon

Pelargidenon

Rhamnolutein

kaempferol

Kaempherol

Nimbecetin

Populnetin

Rhamnolutin

Trifolitin

Campherol

IYRMWMYZSQPJKC-UHFFFAOYSA-N

Kaemferol

Kaempferol, primary pharmaceutical reference standard

Kampcetin

Kampferol

Kampherol

Kempferol

Robigenin

Swartziol

Indigo Yellow

Kaempferol-Supplied by Selleck Chemicals

Kaempferol, analytical standard

4det

AC1NQXP1

5,4'-Trihydroxyflavonol

CHEMBL150

Pelargidenolon 1497

BDBM7462

CCRIS 41

CK0011

GP7425

SCHEMBL18817

HMDB05801

K0018

N1719

S2314_Selleck

W1682

3,5,7-Tetrahydroxyflavone

5,7,4'-Trihydroxyflavonol

AC-544

BIDD:ER0134

BIDD:PXR0073

DB01852

Kaempferol, United States Pharmacopeia (USP) Reference Standard

LS-176

TNP00039

731P2LE49E

C05903

DSSTox_CID_768

HMS1571K18

HMS2098K18

HMS2267I09

HMS3656M03

HSDB 7703

J10449

BC215517

BT000416

CS-1273

DNC006613

DTXSID7020768

GS-3570

HE004319

HE279342

HE347988

NSC407289

NSC656277

SBB066091

ST030560

A828886

CHEBI:28499

UNII-731P2LE49E

W-2776

ZINC3869768

AB0010534

AN-15750

BSPBio_001176

CC-29746

DSSTox_GSID_20768

HY-14590

KB-79581

SC-17291

3,4',5,7-Tetrahydroxyflavone

C-18018

DSSTox_RID_75781

LMPK12110003

MFCD00016938

Prestwick0_001098

Prestwick1_001098

Prestwick2_001098

Prestwick3_001098

SPBio_003058

ZINC03869768

3,4,5,7-Tetrahydroxyflavone

AB00514046

AI3-36096

CCG-202823

NSC 407289

NSC 656277

NSC-407289

NSC-656277

TR-018501

3,4′,5,7-Tetrahydroxyflavone

ACon1_001867

AKOS015895240

BPBio1_001294

Flavone,4',5,7-tetrahydroxy-

HSCI1_000027

I06-0240

MEGxp0_001283

Oprea1_650954

Q-100584

BRN 0304401

cid_5280863

FT-0614420

MLS000697730

MLS001055391

MLS001074884

MLS006010737

SMR000112585

Tox21_201165

Tox21_303363

520-18-3

C.I. 75640

Kaempferol, >=90% (HPLC), powder

Kaempferol, >=97.0% (HPLC)

MCULE-8965218413

NCGC00016480-01

NCGC00016480-02

NCGC00016480-03

NCGC00016480-04

NCGC00016480-05

NCGC00016480-06

NCGC00016480-07

NCGC00016480-09

NCGC00091036-01

NCGC00091036-02

NCGC00164322-01

NCGC00179275-01

NCGC00179275-02

NCGC00257464-01

NCGC00258717-01

CAS-520-18-3

EINECS 208-287-6

KAEMPFEROL ROBIGENIN; 3,4',5,7-TETRAHYDRO-XY-FLAVONE

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

MolPort-001-741-568

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

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

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

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

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

BRD-K12807006-001-05-2

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

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

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

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

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

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

A91A6666-86C8-4B33-B3EF-F74CD3CD7F47

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

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

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

3,5,7-Trihydroxy-2-[4-hydroxy-phenyl]-4H-1-benzopyran-4-one

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

3,5,7-Trihydroxy-2-[4-hydroxy- phenyl]-4H-1-benzopyran-4-one

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

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

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

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

naringenin

Naringenine

naringetol

salipurpol

FTVWIRXFELQLPI-UHFFFAOYSA-N

NARIGENIN

Narngenn

Salipurol

rac Naringenin

AC1L1ACN

AC1Q6KJD

4',7-Trihydroxyflavanone

naringenin-7-sulfate

K702

Naringenin (NAR)

pelargidanon 1602

Prestwick_531

( inverted exclamation markA)-Naringenin

(S)-Naringenin

BN0800

CHEMBL32571

CN0031

Naringenin, 90%

SCHEMBL20571

4',5,7-Trihydroxyflavanone

5,7,4'-Trihydroxyflavanone

BDBM19461

CTK7J9188

N0072

NSC11855

NSC34875

RL05877

(R,S)-Naringenin

CCRIS 8135

HMS1569M14

HMS2096M14

HMS2231O18

HMS3352B08

HMS3373N07

HMS3656G15

S00279

(-)-Naringenin

AK122638

DR000876

Flavanone,5,7-trihydroxy-

HE279447

KS-5142

LS-5089

Opera_ID_106

SBB006461

SCHEMBL1934259

ST057236

CHEBI:50202

M-7677

4 ,5,7-Trihydroxyflavanone

4CN-0924

AB1003941

AB1009825

AC-20273

AN-45184

ANW-43843

AX8246816

BE 14348A

BE-14348A

BSPBio_000572

DTXSID50274239

LS-39547

NSC 11855

NSC 34875

NSC-11855

NSC-34875

SC-18078

ST2418556

Prestwick0_000466

Prestwick1_000466

Prestwick2_000466

Prestwick3_000466

SPBio_002511

ZX-AT026530

KB-187979

KB-196356

TR-017609

TR-037462

ACon1_000582

AKOS015895052

BPBio1_000630

I06-0445

I06-0536

J-523457

MEGxp0_000358

Oprea1_194140

Q-100521

4CH-012369

FT-0082287

FT-0630981

MLS000028739

MLS000738094

MLS001146907

SMP1_000060

SMR000059039

(+/-)-Naringenin

480-41-1

Flavanone, 4',5,7-trihydroxy-

(+/-)-Naringenin, analytical standard

MCULE-5489217450

Naringenin, natural (US), 98%

NCGC00017346-02

NCGC00017346-03

NCGC00017346-04

NCGC00095963-01

NCGC00095963-02

NCGC00095963-03

EINECS 207-550-2

EINECS 266-769-1

67604-48-2

93602-28-9

MolPort-000-861-091

AE-848/32605045

(+/-)-Naringenin, >=95%

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

(+/-)-5,7,4'-Trihydroxyflavanone

5,7-Dihydroxy-2-(4-hydroxy-phenyl)-chroman-4-one

(+/-)-Naringenin, ~95% (HPCE)

BRD-A94669766-001-02-6

BRD-A94669766-001-04-2

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

2S,?3-?DIHYDRO-?5,?7-?DIHYDROXY-?2-?(4-?HYDROXYPHENYL)-?4H-?1-?BENZOPYRAN-?4-?ONE

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

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

( )-Naringenin; 4?,5,7-Trihydroxyflavanone; H-1-benzopyran-4-one

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

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

EC19096C-4404-4A16-9BF9-92F9F358E005

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

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

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

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

( inverted exclamation markA)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 4 inverted exclamation marka,5,7-Trihydroxyflavanone

Hydroxybenzenecarboxylic acid

parahydroxybenzoic acid

acidop-idrossibenzoico

Hydroxybenzoic acid

4-Hydroxybenzenecarboxylic acid

FJKROLUGYXJWQN-UHFFFAOYSA-N

4-Hydroxybenzoesaeure

4-Hydroxybenzoicacid

p-carboxyphenol

p-Oxybenzoesaure

p-Salicylicacid

para-Hydroxybenzoic acid

Acetysalicyclic acid impurity A

Acido p-idrossibenzoico

PHBA

Kyselina 4-hydroxybenzoova

p-Hydroxybenzoic acid

p-Salicylate

Paraben-acid

PHB

4-Carboxyphenol

p-hydroxy-Benzoate

para-salicylic acid

3pcc

3pch

4-Hydroxy-benzoesaeure

4-HYDROXYBENZOIC ACID

4-hydroxylbenzoic acid

benzoicacid,4-hydroxy

HYDROXYBENZOIC ACID, PARA

p-Salicyclic Acid

p-Salicylic acid

Para Hydroxy Benzoic Acid

4-hydroxy-benzoicaci

4-hyroxybenzoic acid

p-HBA

4-hydroxy-benzoate

p-hydroxy benzoic acid

p-hydroxy-Benzoic acid

AC1Q73EU

4-HBA

4-hydroxy benzoic acid

4-hydroxy-benzoic acid

4-Hydroxybenzoate, III

4-hydroxybenzoi c acid

4-hydroxyl benzoic acid

benzoicacid,4-hydroxy-

SCHEMBL4110

AC1L18K3

AC1Q1H26

Acido p-idrossibenzoico [Italian]

KSC173K8H

p-Oxybenzoesaure [German]

phenol derivative, 8

ACMC-209sel

Benzoic acid, p-hydroxy

LR-68

NSC4961

PubChem16819

BDBM26194

HMDB00500

JG8Z55Y12H

Kyselina 4-hydroxybenzoova [Czech]

WLN: QVR DQ

AC-008

AM87513

Benzoic acid, 4-hydroxy

BIDD:ER0706

CHEMBL441343

DB04242

NE10208

RP20404

bmse000092

bmse000583

C00156

CCRIS 8812

HSDB 7233

UNII-JG8Z55Y12H

ZINC332752

4-Hydroxybenzoic acid, pharmaceutical secondary standard; traceable to USP

AK106263

BBL011981

BC228180

Benzoic acid, p-hydroxy-

CS-D1180

DNC008509

DTXSID3026647

NSC 4961

NSC-4961

OR034017

OR182934

OR383012

SBB040549

STL138745

UNII-I3P9R8317T component FJKROLUGYXJWQN-UHFFFAOYSA-N

CHEBI:30763

DSSTox_CID_6647

4CN-0919

AB1002080

AJ-19561

AN-16204

ANW-41083

Benzoic acid, 4-hydroxy-

DSSTox_GSID_26647

KB-39154

LS-37525

SC-16333

ST2411467

TRA0058557

BB_NC-2308

DSSTox_RID_78173

MFCD00002547

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

AI3-01003

RTR-007731

ST50210584

AKOS000119033

I04-1478

I14-7358

J-660066

Salicylic acid Related Compound A, United States Pharmacopeia (USP) Reference Standard

W-100004

FT-0618695

99-96-7

4-Hydroxybenzoic acid, >=99%, FG

Tox21_202342

Tox21_303301

F2191-0237

Z1259273385

CAS-99-96-7

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

MCULE-1367764897

NCGC00166040-01

NCGC00166040-02

NCGC00257058-01

NCGC00259891-01

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

EINECS 202-804-9

4-Hydroxybenzoic acid, 98% 250g

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

MolPort-000-871-606

44643-EP2281819A1

44643-EP2292619A1

44643-EP2298735A1

44643-EP2305659A1

44643-EP2311809A1

44643-EP2311818A1

AE-848/32195059

114-63-6 (mono-hydrochloride salt)

194587-EP2371808A1

BENZOIC-CARBOXY-13C ACID, 4-HYDROXY- (9CI)

16782-08-4 (mono-potassium salt)

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

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

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

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)

protocatechuate

Protacatechuic Acid

protocatechuic acid

Protocatechuic acid polymer

Protocatechuic acid, primary pharmaceutical reference standard

Protocatehuic acid

YQUVCSBJEUQKSH-UHFFFAOYSA-N

beta-Resorcylate

b-Resorcylate

Oxidative polymer of protocatechuic acid

1ykp

4fht

AC1Q5TRL

Pyrocatechol-4-carboxylic Acid

3,4-Dihydroxybenzoicacid

Catechol-4-carboxylic Acid

3,4-dihydroxybenzoes

3,4-DIACETOXY-BENZOICACID

3,4-DIHYDROXYBENZOIC ACID

4,5-Dihydroxybenzoic acid

AC1L18F1

AC1Q732Z

KSC486M3D

ACMC-209scu

CHEMBL37537

cid_72

CP0105

SCHEMBL39435

36R5QJ8L4B

CTK3I6631

HMDB01856

N2466

ZINC13246

3,4-Dihydroxybenzoic acid, analytical standard

ACT07872

DB03946

NSC16631

Protocatechuic acid (M1)

Protocatechuic acid, United States Pharmacopeia (USP) Reference Standard

RP21802

3, 4-Dihydroxybenzoic acid

3,4-Dihydroxy Benzoic Acid

3,4-dihydroxy-benzoic acid

3,4-Dihydroxybenzoate, VIII

bmse000328

C00230

CCRIS 6291

HMS2270A17

KUC104409N

UNII-36R5QJ8L4B

4-Carboxy-1,2-dihydroxybenzene

AC-9617

BBL012232

BT000176

CS-6092

DTXSID4021212

HY-N0294

LS-7685

OR021858

OR382759

SBB061371

STL163570

CHEBI:36062

D-3487

DSSTox_CID_1212

M-3133

3,4-dihydroxybenzoic acid (protocatechuic acid)

AB0008267

AB1002236

AJ-08357

AK-47644

ANW-41020

BR-47644

DSSTox_GSID_21212

KB-28323

NSC 16631

NSC-16631

SC-46684

ST2417248

TRA0078616

ACN-S002778

BB_NC-2256

BDBM50100861

DSSTox_RID_76012

MFCD00002509

AM20060767

CCG-207950

DB-021903

KB-234038

RTR-032902

ST50824448

TR-032902

AKOS000119632

I01-2896

BRN 1448841

FT-0600028

KSC-10-128

MLS000737807

SMR000528167

99-50-3

Benzoic acid, 3,4-dihydroxy-

Tox21_200167

CAS-99-50-3

MCULE-8964889860

NCGC00246757-01

NCGC00246757-02

NCGC00257721-01

EINECS 202-760-0

MolPort-000-881-444

3,4-Dihydroxybenzoic acid, 97% 25g

AE-562/40524392

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

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

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

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

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

Benzenetriol

pyrogallol

Pyrogallol polymer

WQGWDDDVZFFDIG-UHFFFAOYSA-N

pyrogallic acid

Piral

Pyro

Pyrogallol, analytical standard

PYROP

fourrine PG

GMN

PYG

Pyrogallol;

Fouramine Brown AP

AC1L1AMQ

AC1Q7AKK

fouramine base ap

PYROGALLOL, ACS

Pyrogallol, ACS reagent

1,3-Trihydroxybenzen

1,3-Trihydroxybenzene

fourrine 85

2,3-Dihydroxyphenol

ACMC-1AG9D

SCHEMBL3532

1,3-Benzenetriol

K567

KSC226I6T

Pyrogallol [NF]

CP0116

NSC5035

Pyrogallol, 98%

01Y4A2QXY0

CTK1C6469

H0854

HSDB 794

P0570

CHEMBL307145

CI Oxidation Base 32

RP19671

STR08708

1,2,3-Trihydroxybenzen

1,2,3-trihydroxybenzene

A15863

C01108

CCRIS 1940

Pyrogallol [NF X]

Pyrogallol, Vetec(TM) reagent grade

UNII-01Y4A2QXY0

ZINC330141

BBL011607

BC202160

DNC011451

DTXSID6025983

LS-1870

NSC 5035

NSC-5035

OR034539

OR261576

SBB060422

STL163335

ZB010488

1,2,3-benzenetriol

Benzene,2,3-trihydroxy-

CHEBI:16164

DSSTox_CID_5983

WLN: QR BQ CQ

4CN-0755

AB1002307

AC-11384

AJ-19292

AK-72995

AN-24124

ANW-38873

BP-12538

BR-72995

CI 76515

DA-40956

DSSTox_GSID_25983

KB-09981

Pyrogallol, ACS reagent, >=99%

SC-26747

ST2412633

TL8005703

1,2,3-TRIHYDROXY-BENZENE

BB_SC-6919

BDBM50031472

DSSTox_RID_77980

MFCD00002192

ZINC00330141

AI3-00709

KB-204606

RTR-027566

ST51046603

TR-027566

1,2,3-Trihydroxybenzene, XIV

AKOS000120163

benzene-1,2,3-triol

I01-4451

Pyrogallol, >=98% (HPLC)

W-104009

BRN 0907431

C.I. Oxidation Base 32

FT-0606230

MLS001066376

Pyrogallol, p.a., ACS reagent

SMR000471842

87-66-1

Tox21_111143

Tox21_202373

1,2,3-Trihydroxybenzen [Czech]

F0001-2163

Pyrogallol, JIS special grade, >=99.0%

C.I. Oxidation Base 32

C.I. 76515

CAS-87-66-1

Pyrogallol, SAJ first grade, >=98.0%

Benzene, 1,2,3-trihydroxy-

MCULE-6282052463

NCGC00091507-01

NCGC00091507-02

NCGC00091507-03

NCGC00259922-01

EINECS 201-762-9

35296-77-6

6328-EP2292597A1

6328-EP2305685A1

6328-EP2305825A1

MolPort-001-786-773

Pyrogallol, purum, >=98.0% (HPLC)

AB-131/40221933

Pyrogallol, ACS, 99.0% min. 10g

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

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

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

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

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

Quercetin_sathishkumar

Quercetine

Sophoretin

Xanthaurine

Enicostemma Littorale Blume

Kvercetin

quercetin

Quercetin content

Quercetin hydrate

Quercetol

Quercitin

Quertine

REFJWTPEDVJJIY-UHFFFAOYSA-N

Ritacetin

Meletin

Quertin

Flavin meletin

Quer

QUE

Quercetin-Supplied by Selleck Chemicals

QUERCETIN:

4dfu

4mra

AC1NQWX8

CHEMBL50

3cf8

Quercetin - Sophoretin

9IKM0I5T1E

Kvercetin [Czech]

AC1Q795S

AC1Q795T

BDBM7460

Cyanidelonon 1522

Cyanidenolon 1522

GTPL5346

KSC497C4F

Natural Yellow 10

Quercetin, Sophoretin, Meletin, Quercetine

S295

UPCMLD-DP081

BRD9794

BS0155

CQ0011

GP9232

NSC9219

SCHEMBL19723

UNII-9IKM0I5T1E

CTK3J7142

HMDB05794

HMS501I07

N1841

nchembio.65-comp4

P0042

Q0025

S2391_Selleck

SGCUT00001

BIDD:ER0315

BIDD:PXR0007

CI Natural Yellow 10

DB04216

LP00999

LS-589

NSC57655

NSC58588

SCHEMBL219729

TNP00070

TNP00089

Tocris-1125

C00389

CCRIS 1639

HMS1362F09

HMS1792F09

HMS1923O19

HMS1990F09

HMS3263G19

HMS3267M12

HMS3649D04

HMS3656C15

HSDB 3529

K00029

KUC104418N

KUC107684N

nchembio.117-comp3

S00057

SPECTRUM1500672

AK106169

BBL005513

BRD-9794

BT000458

CS-3981

DAP001419

DR001218

DTXSID4021218

HE279180

HE279181

HE280298

HE320663

HE383988

LIM-5662

LNS-5662

NSC 9219

NSC-9219

NSC324608

SBB012521

ST024706

ST057237

STK365650

A-8821

BiomolKI_000062

CHEBI:16243

D011794

DSSTox_CID_1218

NCI-C60106

Q 0125

Spectrum_000124

ZINC3869685

4CN-0923

AC-19596

AJ-46321

AN-22768

ANW-73134

AX8030401

BSPBio_000433

BSPBio_001068

BSPBio_002243

CCG-40054

CI 75670

CID5280343

CJ-10980

DSSTox_GSID_21218

EBD2197934

HY-18085

KB-66753

KBioGR_000408

KBioGR_001293

KBioSS_000408

KBioSS_000584

Lopac-Q-0125

LS-69030

NUT0000107

SC-25667

STOCK1N-04222

3,4',5,7-Pentahydroxyflavone

3,7,3',4'-Pentahydroxyflavone

BiomolKI2_000068

DSSTox_RID_76017

LMPK12110004

Maybridge1_008992

MFCD00006828

MFCD03847906

NINDS_000485

Prestwick0_000507

Prestwick1_000507

Prestwick2_000507

Prestwick3_000507

SPBio_000217

SPBio_002354

Spectrum2_000059

Spectrum3_000642

Spectrum4_000807

Spectrum5_001389

ZINC03869685

AI3-26018

KB-221421

KSC-23-76

MixCom3_000183

NCIOpen2_007628

NCIOpen2_007882

RTX-012622

ST24039236

to_000078

ACon1_000560

AKOS000511724

BPBio1_000477

C.I. Natural red 1

DivK1c_000485

KBio1_000485

KBio2_000408

KBio2_000584

KBio2_002976

KBio2_003152

KBio2_005544

KBio2_005720

KBio3_000775

KBio3_000776

KBio3_001463

Lopac0_000999

MEGxp0_000381

Q-200333

T-Gelb bzw. grun 1

UPCMLD-DP081:001

Bio1_000369

Bio1_000858

Bio1_001347

Bio2_000374

Bio2_000854

BRN 0317313

C.I. Natural Yellow 10

C.I. natural yellow 13

EU-0100999

FT-0603318

FT-0655108

IDI1_000485

IDI1_002129

KSC-10-126

MLS006011766

SMP1_000252

SMR000112559

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

BAS 00649429

NCI60_042036

Tox21_202308

Tox21_300285

Tox21_500999

117-39-5

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

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

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

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

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

C.I . natural yellow 10

C.I. 75670

7255-55-2

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

MCULE-2433372790

NCGC00015870-01

NCGC00015870-02

NCGC00015870-03

NCGC00015870-05

NCGC00015870-06

NCGC00015870-07

NCGC00015870-08

NCGC00015870-09

NCGC00015870-10

NCGC00015870-11

NCGC00015870-12

NCGC00015870-13

NCGC00015870-14

NCGC00015870-15

NCGC00015870-16

NCGC00015870-17

NCGC00015870-18

NCGC00015870-19

NCGC00015870-21

NCGC00015870-22

NCGC00015870-23

NCGC00015870-24

NCGC00025016-01

NCGC00025016-02

NCGC00025016-03

NCGC00025016-04

NCGC00025016-05

NCGC00025016-06

NCGC00025016-07

NCGC00025016-08

NCGC00168962-01

NCGC00168962-02

NCGC00168962-03

NCGC00168962-04

NCGC00254218-01

NCGC00259857-01

NCGC00261684-01

NChemBio.2007.10-comp11

Quercetin, >=95% (HPLC), solid

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

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

CAS-117-39-5

EINECS 204-187-1

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

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

73123-10-1

74893-81-5

SR-01000076098

A1784/0075599

MolPort-001-740-557

C.I. Natural yellow 10 & 13

CU-01000012502-3

SR-01000076098-1

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

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

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

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

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

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

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

BRD-K97399794-001-02-1

BRD-K97399794-001-07-0

BRD-K97399794-001-11-2

BRD-K97399794-335-03-1

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

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

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

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

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

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

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

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

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

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

49643640-FD4C-4B93-BD28-0D7C2021CC52

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

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

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

The estimated pKas of 7.17, 8.26, 10.13, 12,30, and 13.11(1) indicate quercetin will partially exist anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Volatilization of quercetin from moist soil surfaces is not expected to be an important fate process because it is an anion and anions do not volatilize(SRC). Quercetin is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.8X10-14 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Feb 14, 2008. (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

The Koc of quercetin is estimated as 460(SRC), using a water solubility of 60 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that quercetin is expected to have moderate mobility in soil. The estimated pKas of quercetin are 7.17, 8.26, 10.13, 12,30, and 13.11(4), indicating that this compound will partially exist in the anion form in the environment at neutral pH and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Seidell A; Solubilities of Organic Compounds. NY,NY: d. Van Norstrand Co., Inc. (1941) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Feb 14, 2008. (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Resveratol

resveratrol

LUKBXSAWLPMMSZ-OWOJBTEDSA-

LUKBXSAWLPMMSZ-OWOJBTEDSA-N

trans-resveratrol

Resvida

Resveratrol-Supplied by Selleck Chemicals

Resveratrol, analytical standard

Resveratrol, synthetic

Resveratrol, natural

STL

3fts

4jaz

4qer

AC1L9HIC

resveratrol-3-sulfate

CHEMBL165

Resveratrol, trans-

SRT501

(E)-resveratrol

2l98

GTPL8741

Prestwick_619

Resveratrol, E-

Stilbene, 2f

ZINC6787

ARONIS24568

BIK9013

BS0159

CPD-83

GP2549

GP5884

Resveratrol, European Pharmacopoeia (EP) Reference Standard

SCHEMBL19425

BDBM23926

HMDB03747

N1848

PREVENTION 8 (RESVERATROL)

R0071

S1396_Selleck

SGCUT00007

3,4',5-Trihydroxystilbene

3,5,4'-Trihydroxystilbene

AC-727

ACT09778

AN-865

BBC/741

C14H12O3

CR-003

DB02709

LP01111

NC00349

OR46018

R5010_SIGMA

Resveratrol, certified reference material, TraceCERT(R)

RP17549

SRT 501

SRT-501

BCPP000091

C03582

CCRIS 8952

HMS1362H15

HMS1569F17

HMS1792H15

HMS1921N04

HMS1990H15

HMS2052I09

HMS2096F17

HMS2232A18

HMS3263O04

HMS3403H15

HMS3649A20

HSDB 7571

J10118

KUC104385N

N88795

nchembio.140-comp2

SPECTRUM1502223

trans-3,4',5-trihydroxystilbene

3,4',5-Stilbenetriol

34092_RIEDEL

ABP000376

BBL028252

BC202036

BT000308

CID445154

CS-1050

DCL000234

DNC001205

DR000471

DTXSID4031980

KS-5047

LS-2146

NSC327430

Opera_ID_586

OR187497

OR274296

RM-1812

SBB055452

ST057251

STL146386

SY014849

ZB000650

34092_FLUKA

A827984

C059514

CHEBI:27881

CHEBI:45713

nchembio.281-comp10

R 5010

trans-3,4′,5-Trihydroxystilbene

3,4',5-trihydroxy-stilbene

4CN-0696

AB0006623

AJ-08292

AK-39118

API0000480

AX8004672

BR-39118

BSPBio_000435

BSPBio_001114

BSPBio_003461

CC-34242

CCG-38874

CJ-00111

DSSTox_GSID_31980

HY-16561

KB-02515

Q369O8926L

SC-11924

ST2408097

TL8003323

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

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

BB_NC-2570

DSSTox_CID_11980

DSSTox_RID_78898

LMPK13090005

MFCD00133799

Prestwick2_000508

Prestwick3_000508

Spectrum5_000552

ZINC00006787

ZX-AS004941

ZX-AT013797

cid_445154

NSC 327430

NSC-327430

REGID_for_CID_6240

Resveratrol, >=99% (HPLC)

to_000079

UNII-Q369O8926L

AKOS005720936

BPBio1_000479

I06-0437

Lopac0_001111

CPD000058206

EU-0101111

FT-0082623

FT-0603427

FT-0654236

IDI1_002152

KSC-10-164

MLS000069735

MLS001055357

MLS001076538

MLS001424228

MLS002207121

MLS002222231

SAM001246888

SMR000058206

trans-Stilbene-3,4',5-triol

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

trans-3,4',5 - trihydroxystilbene

REGID_for_CID_445154

Tox21_110257

Tox21_201374

Tox21_303376

Tox21_501111

501-36-0

Resveratrol, Vetec(TM) reagent grade, 98%

MCULE-5678456463

NCGC00015894-02

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

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

AB00052942_31

AB00052942-29

CAS-501-36-0

31100-06-8

SDCCGMLS-0002998.P003

Tox21_110257_1

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

MolPort-002-499-801

CU-01000001503-3

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

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

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

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

BRD-K25591257-001-01-2

BRD-K80738081-001-06-2

BRD-K80738081-001-09-6

BRD-K80738081-001-10-4

BRD-K80738081-001-23-7

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

3,4',5-Trihydroxy-trans-stilbene 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-1,3-benzenediol

trans-3,5,4'-Trihydroxystilbene3,4',5-Stilbenetrioltrans-Resveratrol(E)-5-(p-Hydroxystyryl)resorcinol(E)-5-(4-hydroxystyryl)benzene-1,3-diol

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

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)

Syringlicacid

JMSVCTWVEWCHDZ-UHFFFAOYSA-N

DIMETHOXY BENZOIC ACID

SYRINGIC ACID

Cedar acid

AC1L1VUN

Syringic acid, analytical standard

AC1Q47JQ

ACMC-1AWI4

CHEMBL1414

PubChem2673

KSC269I1L

CS0044

NSC2129

SCHEMBL42751

CTK1G9415

G0014

HMDB02085

N2297

3 pound not5-DIMETHOXY-4-HYDROXYBENZOICACID

AS02533

RP25598

Syringic acid, >=95%

3,5-Dimethoxy-4-hydroxybenzoate

3,5-DIMETHOXY-BENZOIC ACID HYDRAZIDE

bmse000607

bmse010206

C10833

ZINC156386

3,5-Dimethyl-4-hydroxybenzoate

AC-7975

AK162483

AN-8458

BBL012974

BT000269

DNC010452

DTXSID0060191

NSC 2129

NSC-2129

OR003883

OR156056

OR313743

PS-8244

SBB041081

ST098737

STL163855

SY005479

CHEBI:68329

K-9639

SpecPlus_000485

3,5-Dimethoxy-4-hydroxybenzoic acid

3,5-Dimethoxy-4-hydroxybenzyl acid

4-Hydroxy-3,5-dimethoxybenzoic acid

AB1002377

ANW-31620

BSPBio_003312

E390O181H5

Gallic acid 3,5-dimethyl ether

KB-70221

LS-37555

SC-05090

TL8003486

TRA0015557

BB_NC-2236

BDBM50187132

MFCD00002552

RARECHEM AL BE 0102

Spectrum3_001866

Spectrum5_000963

AI3-24376

CCG-214218

DB-022071

RTR-018778

ST24043782

TIMTEC-BB SBB017745

TIMTEC-BB SBB041081

TR-018778

UNII-E390O181H5

AKOS000269664

DivK1c_006581

I01-1221

KBio1_001525

KBio3_002814

Q-100604

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

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

BRN 2115262

FT-0632317

LABOTEST-BB LT00454715

LABOTEST-BB LT03329070

OTAVA-BB 1785353

530-57-4

Z1816507477

AKOS BBS-00004652

MCULE-6314465100

NCGC00178148-01

EINECS 208-486-8

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

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

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

MolPort-000-555-503

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

BRD-K51980294-001-01-9

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

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