Ferulic acid dehydrogenation homopolymer

ferulate

KSEBMYQBYZTDHS-HWKANZROSA-N

KSEBMYQBYZTDHS-UHFFFAOYSA-N

Coniferic acid

trans-Ferulate

FER

ferulic acid

Fumalic acid

trans-Ferulic Acid

AC1L9IOI

Ferulic Acid, Synthetic

Fumalic acid-Supplied by Selleck Chemicals

AVM951ZWST

AC1Q5T8U

4-Hydroxy-3-methoxycinnamate

Fumalic acid, Ferulic acid

PubChem8183

UNII-AVM951ZWST

AC1Q469S

trans-4-Hydroxy-3-methoxycinnamate

3-methoxy-4-hydroxycinnamic acid

4-Hydroxy-3-methoxycinnamic acid

CF0041

CHEMBL32749

NSC2821

SCHEMBL15673

(E)-Ferulate

Ferulic acid, trans-

HMDB00954

N1878

S2300_Selleck

ZINC58258

C10H10O4

DB07767

NSC51986

OR11310

RP17475

RP25300

STR00961

trans-3-methoxy-4-hydroxycinnamic acid

trans-4-Hydroxy-3-methoxycinnamic acid

(E)-Ferulic acid

3-Methoxy-4-hydroxy-trans-cinnamate

bmse000459

bmse000587

bmse010211

C01494

CCRIS 3256

CCRIS 7127

CCRIS 7575

Ferulic acid, E-

HMS1921D05

HMS2269P04

HSDB 7663

J10038

J10187

SPECTRUM1501017

4-Hydroxy-3-methoxy cinnamic acid

AC-7965

AN-8448

BBL010345

BT000260

DNC010453

Ferulic acid, European Pharmacopoeia (EP) Reference Standard

NSC 2821

NSC-2821

OR003660

OR138113

OR280765

PS-3435

SBB000326

ST097625

STK801551

trans-Ferulic acid, >=99%

A829775

CHEBI:17620

Ferulic acid (M5)

trans-Ferulic acid, 99%

W-2799

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

4-Hydroxy-3-methoxycinnamic acid, trans

AB1002979

AB2000725

AC-10321

AJ-09852

AK-32258

AK-49078

AN-45706

AX8011844

AX8021297

BCP9000163

BR-32258

BR-49078

BSPBio_003168

CCG-38860

Ferulic acid, United States Pharmacopeia (USP) Reference Standard

KB-51871

KB-81701

LS-54115

NSC 51986

NSC-51986

SC-17540

ST2410362

TL8000398

ALBB-013505

BB_NC-1070

BDBM50214744

Ferulic Acid, pharmaceutical secondary standard; traceable to USP, PhEur

MFCD00004400

Spectrum5_000554

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

(E)4-hydroxy-3-methoxycinnamic acid

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

ACN-035275

AM20060784

CINNAMIC ACID, 3-METHOXY-4-HYDROXY

ferulic acid, (E)-isomer

KB-192658

NSC 674320

RTR-002615

RTR-037023

TR-002615

TR-037023

trans-4-Hydroxy-3-methoxycinnamic acid; Ferulic acid

(E)-4-Hydroxy-3-methoxycinnamate

AKOS000263735

I01-2280

J-002980

FT-0627414

FT-0646300

MLS001066385

MLS001332483

MLS001332484

MLS002207079

MLS006011435

SMR000112202

SMR004703246

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

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

4-Hydroxy-3-methoxycinnamic acid, mixture of isomers, analytical reference material

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

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

4-Hydroxy-3-Methoxycinnamic Acid, 99%

Cinnamic acid, 4-hydroxy-3-methoxy-

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

537-98-4

1135-24-6

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

NCGC00094889-01

NCGC00094889-02

NCGC00094889-03

NCGC00094889-04

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

EINECS 208-679-7

EINECS 214-490-0

97274-61-8

SDCCGMLS-0066667.P001

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

MolPort-000-490-395

MolPort-011-018-530

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

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

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

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

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

24276-84-4 (mono-hydrochloride salt)

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

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

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

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

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

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

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

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

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

3-(4-Hydroxy-3-methoxyphenyl)acrylic acid, 99% 10g

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

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

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

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

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

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

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

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)

HOMOGENTISICACID

Homogentisinate

homogentisate

Homogentisinic acid

Alcapton

IGMNYECMUMZDDF-UHFFFAOYSA-N

Homogentisic acid

Homogentisate acid

OMD

Homogentisic acid, crystalline

Melanic acid

1ajp

HQ9

2,5-Dihydroxyphenylacetate

Homogentisinic acid;Melanic acid.

4aq6

2,5-Dihydroxybenzeneacetic acid

AC1L1A0B

2,5-Dihydroxyphenylacetic acid

2,5-Dihydroxyphenylacetic acid polymer

Benzeneacetic acid,5-dihydroxy-

2,5-Dihydroxy-benzeneacetate

NP8UE6VF08

2,5-dihydroxy-benzeneacetic acid

UNII-NP8UE6VF08

2,5-DIHYDROXYPHENYLACETIC ACID(LACTONE)

X6953

HMDB00130

CTK3J2031

NSC88940

SCHEMBL155333

VZ22772

DB08327

ZINC388428

bmse000200

C00544

Acetic acid,5-dihydroxyphenyl)-

2,5-Dihydroxy-alpha-toluate

2,5-DHPOP

Benzeneacetic acid,2,5-dihydroxy-

ACM451138

AK324218

DTXSID1060005

OR017615

OR183676

CHEBI:44747

2,5-Dihydroxy-a-toluate

2,5-Dihydroxy-alpha-toluic acid

(2,5-Dihydroxyphenyl)acetic acid

NSC 88940

LS-11780

NSC-88940

(2,5-dihydroxyphenyl)-Acetate

CC-07789

ANW-43718

FCH1117442

2,5-Dihydroxy-a-toluic acid

C-04987

MFCD00004324

ST50406743

RT-000174

DB-020087

Benzeneacetic acid, 2,5-dihydroxy-

AKOS004910342

W-109536

(2,5-dihydroxyphenyl)-Acetic acid

BRN 2692860

FT-0610384

2-(2,5-dihydroxyphenyl)acetic acid

2-(3,6-DIHYDROXYPHENYL)ACETIC ACID

Benzeneacetic acid, 3,4-dihydroxy-, homopolymer

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

(2,5-Dihydroxy-phenyl)-acetic acid

I14-106345

451-13-8

EINECS 207-192-7

71694-00-3

Acetic acid, (2,5-dihydroxyphenyl)-

MolPort-003-936-134

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

2-(6-Oxidanyl-3-Oxidanylidene-Cyclohexa-1,4-Dien-1-Yl)ethanoic Acid

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

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

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

Naringenine-7-rhamnosidoglucoside

Naringoside

naringin

aurantiin

Naringin hydrate

Naringenin 7-Rhamnoglucoside

Naringenin-7-beta-neohesperidoside

Naringin-Supplied by Selleck Chemicals

Naringenin 7-O-neohesperidoside

AC1L9CSZ

Naringin, Naringoside, Naringenine-7-rhamnosidoglucoside

yphenyl)chroman-4-one

GTPL4738

SCHEMBL23432

N2371

N7TD9J649B

S2329_Selleck

HMS500M09

HMDB02927

BIDD:ER0262

CHEMBL451532

HMS2231M18

J10148

C09789

UNII-N7TD9J649B

(2S)-Naringin

CA006180

DTXSID6022478

DR003314

HY-N0153

CS-5632

C27H32O14

BT000958

ST072162

ZINC8143604

CHEBI:28819

cid_25075

CC-32461

BSPBio_000574

STOCK1N-40898

4'5-diOH-Flavone-7-rhgluc

NINDS_000247

SPBio_002513

C-23277

Prestwick3_000467

BDBM50241582

Prestwick2_000467

Prestwick1_000467

Prestwick0_000467

CCG-208591

cid_442428

AI3-19008

KBio1_000247

MEGxp0_001877

DivK1c_000247

BPBio1_000632

AKOS016034302

ACon1_000139

IDI1_000247

MLS000069459

SMR000059108

NCGC00142617-01

NCGC00142617-03

MCULE-5348711723

NCGC00142617-02

EINECS 233-566-4

11032-31-8

17784-35-9

30174-44-8

30552-25-1

10236-47-2

10236-69-8

38664-96-9

109010-50-6

MolPort-001-742-592

Naringoside, Naringenine-7-rhamnosidoglucoside, 10236-47-2

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)

BRD-K02953697-002-03-3

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

(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)-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)-

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)-

(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)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one

(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)-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one

(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)-5-hydroxy-2-(4-hydroxyphenyl)

(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-hydroxyphenyl)-3,4-dihydro-2H-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

(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 hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydroxyphenyl)chroman-4-one

(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 hydropyran-2-yloxy)]-5-hydroxy-2-(4-hydrox

(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)chroman-4-one

(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)-2,3-dihydrochromen-4-one

(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-hydroxy-2-(4-hydroxyphenyl)chroman-4-one

ortho-Hydroxycinnamate

o-Hydroxycinnamate

ortho-Hydroxycinnamic acid

PMOWTIHVNWZYFI-AATRIKPKSA-N

2-HYDROXYCINNAMICACID

trans-o-Hydroxycinnamate

2-Hydroxycinnamate

AC1LCUFT

o-coumarate

ortho-coumaric acid

trans-2-Hydroxycinnamate

trans-o-Hydroxycinnamic acid

2-Hydroxycinamic acid

2-Hydroxycinnamic acid

2HC

o-Hydroxy-trans-cinnamate

trans-o-Coumarate

2-Coumarate

o-Coumaric acid

trans-2-Hydroxycinnamic acid

trans-o-Coumaric acid

2-Coumaric acid

AC1Q71FE

o-Hydroxy-trans-cinnamic acid

2-Hydroxy Cinnamic Acid

23AU5FZB9C

PubChem8214

trans-2-coumaric acid

UNII-2S0H1PX3LM component PMOWTIHVNWZYFI-AATRIKPKSA-N

CHEMBL52564

SCHEMBL64885

UNII-23AU5FZB9C

HMDB02641

QSPL 150

R1101

(E)-Coumarinic Acid

DB01650

NSC32952

OR40640

(E)-o-Hydroxycinnamic acid

bmse000347

C01772

CCRIS 5834

Cinnamic acid, o-hydroxy-

ZINC895911

(E)-ortho-coumaric acid

AK112252

AK310579

BBL013048

DNC011169

LP059962

OR001908

SBB065726

ST097457

STK301745

(E)-2-hydroxycinnamic acid

3-(2-hydroxyphenyl)acrylic acid

CHEBI:18125

CHEBI:18176

WLN: QV1U1R BQ

AJ-24216

AN-46543

KB-86220

LS-54110

NSC 32952

NSC-32952

trans-3-(2-hydroxyphenyl)propenoic acid

ALBB-025832

BB_NC-2272

BDBM50146462

C-04438

CINNAMIC ACID,2-HYDROXY (TRANS)

MFCD00004379

ZX-AT016055

2-Hydroxycinnamic acid, predominantly trans, 97%

RTR-037283

TR-037283

AKOS003790794

I04-0024

BRN 1100900

FT-0612591

FT-0612592

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

2-Hydroxycinnamic acid, (E)-

583-17-5

614-60-8

F2191-0203

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

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

MCULE-5451854573

EINECS 210-386-4

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

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

MolPort-001-641-053

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

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

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

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

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

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

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

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

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

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

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

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

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

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)

Methylprotocatechuic aldehyde

methyl-Protocatechualdehyde

Methylprotcatechuic aldehyde

Vanillaldehyde

Vanillinum

MWOOGOJBHIARFG-UHFFFAOYSA-N

Oleoresin vanilla

vaniline

Vanilla oleoresin

Vanillic aldehyde

vanillin

Vanilline

Lioxin

Vanilin

Vanilla

m-Methoxy-p-hydroxybenzaldehyde

p-Hydroxy-m-methoxybenzaldehyde

Zimco

Nat.Vanillin

Protocatechualdehyde 3-methyl ether

Protocatechualdehyde, methyl-

Vanillin sodium salt

oleo-Resins vanilla

p-Vanillin

AC1L1AWT

ACMC-1BURM

oleo-Resins vanilla-bean

3-Methoxy-4-hydroxybenzaldehyde

4-hydroxy 3-methoxybenzaldehyde

4-Hydroxy-3-methoxybenzaldehyde

4-Hydroxy-5-methoxybenzaldehyde

4-Hydroxy-m-anisaldehyde

AC1Q46AX

AC1Q46AY

V55

SCHEMBL1213

Vanillin (natural)

GTPL6412

KSC174M1D

Vanillin [USAN]

2-Methoxy-4-formylphenol

3-methoxy-4-hydroxy benzaldehyde

3-methoxy-4-hydroxy benzoaldehyde

3-methoxy-4-hydroxy-benzaldehyde

4-Formyl-2-methoxyphenol

4-hydroxy-3-methoxy benzaldehyde

4-Hydroxy-3-methoxy-benzaldehyde

4-Hydroxy-3-methoxybenzaldehyde(Vanilline)

4-HYDROXY,3-METHOXY-BENZALDEHYDE

CHEMBL13883

Vanilla oleoresin (vanilla SPP)

Vanillin (NF)

Vanillin [NF]

CTK0H4611

HMDB12308

SGCUT00016

Vanillin, European Pharmacopoeia (EP) Reference Standard

BIDD:ER0330

LS-645

NSC15351

NSC48383

RP21590

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

A19444

bmse000343

bmse000597

bmse010006

C00755

CCRIS 2687

CHI530446X

D00091

HMS3651D20

HSDB 1027

Vanillin, pharmaceutical secondary standard; traceable to USP and PhEur

Vanillin, TraceCERT(R), certified reference material

Vanillin, United States Pharmacopeia (USP) Reference Standard

3-Methoxy-4-hydroxybenzaldehyde (vanillin)

4-hydroxy-3-methoxybenzaldehyde (vanillin)

BBL011956

BT000171

DNC006146

DTXSID0021969

LS-2459

MP-2189

NSC403658

OR025126

OR156068

OR208949

OR239517

SBB000108

ST052001

STK199262

CHEBI:18346

DSSTox_CID_1969

m-Anisaldehyde, 4-hydroxy-

Resins, oleo-, vanilla

UNII-CHI530446X

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

Vanillin-(methoxy-13C)

ZINC2567933

AB1002192

AC-10370

AJ-41510

AK-32997

AN-22843

ANW-17588

AT-15565

BP-10602

BR-32997

CJ-09814

DSSTox_GSID_21969

NSC 15351

NSC-15351

NSC-48383

SC-19021

ST2411457

Vanillin, tested according to Ph.Eur.

WLN: VHR DQ CO1

BB_NC-2264

BDBM50177405

DSSTox_RID_76433

MFCD00006942

Resins, oleo-, vanilla-bean

ZINC02567933

AI3-00093

AM20060497

Benzaldehyde, 4-hydroxy-3-methoxy-

DB-003805

KB-192660

NSC-403658

RTR-003490

to_000089

TR-003490

VANILLA, OLEORESIN (VANILLA SPP.)

AKOS000118929

I01-5977

Q-100102

BRN 0472792

FEMA No. 3107

FT-0618639

MLS002303069

SMR000156285

Vanillin melting point standard, pharmaceutical secondary standard; traceable to USP, Melting range approximately 82??C

Vanillin, ReagentPlus(R), 99%

NCI60_001085

Tox21_113534

Tox21_201925

Tox21_300352

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

121-33-5

F2190-0587

Vanillin, >=97%, FCC, FG

Vanillin, 99% 100g

Vanillin, JIS special grade, >=98.0%

8014-42-4

MCULE-1294709490

NCGC00091645-01

NCGC00091645-02

NCGC00091645-03

NCGC00091645-04

NCGC00091645-05

NCGC00091645-07

NCGC00254468-01

NCGC00259474-01

Vanillin, Vetec(TM) reagent grade, 98%

CAS-121-33-5

EINECS 204-465-2

Vanillin, puriss., 99.5%

52447-63-9

Tox21_113534_1

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

3450-EP2287158A1

3450-EP2295424A1

3450-EP2295426A1

3450-EP2295427A1

3450-EP2301934A1

3450-EP2311821A1

3450-EP2311824A1

3450-EP2316831A1

3450-EP2374783A1

3450-EP2377841A1

MolPort-000-165-443

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

AC-907/21098004

132287-EP2284157A1

132287-EP2295418A1

Unavailable - See ASDI_CatNo 500011369

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

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

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

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)