genistein

446-72-0

Prunetol

4',5,7-Trihydroxyisoflavone

Genisterin

Genisteol

Sophoricol

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

5,7,4'-Trihydroxyisoflavone

Bonistein

Genestein

Differenol A

NPI 031L

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

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

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

C.I. 75610

SIPI 807-1

MFCD00016952

NSC 36586

CCRIS 7675

4',5, 7-Trihydroxyisoflavone

NSC36586

EINECS 207-174-9

UNII-DH2M523P0H

NSC-36586

Genistein [USAN]

BRN 0263823

DH2M523P0H

NPI-031L

5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone

Genistein (Standard)

DTXSID5022308

ISOFLAVONE, 4',5,7-TRIHYDROXY-

CHEBI:28088

HSDB 7475

BIO-300

SIPI-807-1

CHEMBL44

FW-635I-2

Bio 300

MLS000738127

DTXCID002308

GEN

5-18-04-00594 (Beilstein Handbook Reference)

Genistein (USAN)

NCGC00015479-09

GENISTEIN (MART.)

GENISTEIN [MART.]

GENISTEIN (USP-RS)

GENISTEIN [USP-RS]

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

690224-00-1

CAS-446-72-0

Lactoferrin-genistein

SR-01000075498

Genistein?

STO514

PTI G4660

PTI-G4660

SIPI-9764-I

3kgt

3kgu

Genistein, 8

Genistein,(S)

PTI-G 4660

Genistein (GEN)

TNP00151

Spectrum_000320

Tocris-1110

1x7r

2qa8

Genistein 85% HPLC

GENISTEIN [INN]

SpecPlus_000305

GENISTEIN [MI]

GENISTEIN [HSDB]

GENISTEIN [INCI]

Spectrum2_000638

Spectrum3_000678

Spectrum4_001543

Spectrum5_000106

Lopac-G-6649

4',7-Trihydroxyisoflavone

MolMap_000022

UPCMLD-DP096

G 6649

GENISTEIN [WHO-DD]

Isoflavone,5,7-trihydroxy-

Lopac0_000520

Oprea1_224620

Oprea1_437815

SCHEMBL19166

BSPBio_002375

KBioGR_002006

KBioGR_002564

KBioSS_000800

KBioSS_002573

NPI031L

SPECTRUM210296

BIDD:ER0113

DivK1c_006401

Genistein, analytical standard

TEMPO HOT FLASH RELIEF

SPBio_000636

4',5,7-trihydroxy-Isoflavone

GTPL2826

MEGxp0_000568

4,5,7-Trihydroxy Iso-Flavone

UPCMLD-DP096:001

ACon1_001065

BDBM19459

C.I. 75610(ChemID)

cid_5280961

KBio1_001345

KBio2_000800

KBio2_002564

KBio2_003368

KBio2_005132

KBio2_005936

KBio2_007700

KBio3_001595

KBio3_003042

CHEBI: 28088

cMAP_000086

Bio1_000445

Bio1_000934

Bio1_001423

HMS2271K09

HMS3261H21

HMS3267K14

HMS3412I13

HMS3428M01

HMS3649B22

HMS3654D17

HMS3676I13

HMS3742I07

AMY25676

BCP07581

Tox21_110161

Tox21_201428

Tox21_300585

Tox21_500520

AC-472

BBL010484

CCG-38551

HB2775

HY-14596R

LMPK12050218

s1342

STK801619

WHO 11073

AKOS001590147

Tox21_110161_1

CS-1534

DB01645

KS-5128

LP00520

MCULE-4857649752

SB17235

SDCCGSBI-0050503.P003

SMP1_000133

Genistein; 4',5,7-Trihydroxyisoflavone

NCGC00015479-01

NCGC00015479-02

NCGC00015479-04

NCGC00015479-05

NCGC00015479-06

NCGC00015479-07

NCGC00015479-08

NCGC00015479-10

NCGC00015479-11

NCGC00015479-12

NCGC00015479-13

NCGC00015479-14

NCGC00015479-15

NCGC00015479-16

NCGC00015479-17

NCGC00015479-18

NCGC00015479-19

NCGC00015479-20

NCGC00015479-38

NCGC00025005-01

NCGC00025005-02

NCGC00025005-03

NCGC00025005-04

NCGC00025005-05

NCGC00025005-06

NCGC00025005-07

NCGC00169711-01

NCGC00169711-02

NCGC00254275-01

NCGC00258979-01

NCGC00261205-01

1ST40142

HY-14596

NCI60_003369

SMR000112580

SY050124

CS-0694819

EU-0100520

G0272

GENISTEIN (CONSTITUENT OF RED CLOVER)

NS00009870

SW203763-2

C06563

D11680

EN300-210743

G-2535

Genistein, synthetic, >=98% (HPLC), powder

K00046

US8552057, 2

AB00052696_09

AB00052696_12

A826657

GENISTEIN (CONSTITUENT OF SOY ISOFLAVONES)

Q415957

GENISTEIN (CONSTITUENT OF RED CLOVER) [DSC]

Genistein, primary pharmaceutical reference standard

Q-100484

SR-01000075498-1

SR-01000075498-3

SR-01000075498-6

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

BRD-K43797669-001-02-3

BRD-K43797669-001-03-1

BRD-K43797669-001-10-6

Genistein, from Glycine max (soybean), ~98% (HPLC)

SR-01000075498-10

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

F0001-2388

GENISTEIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC]

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

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

Genistein, United States Pharmacopeia (USP) Reference Standard

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

Genistein, Pharmaceutical Secondary Standard; Certified Reference Material

The estimated pKa value of 7.63(1) indicates genistein will exist partially in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process. Genistein is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5.2X10-12 mm Hg(SRC), determined from a fragment constant method(2).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of genistein can be estimated to be 6,500(SRC). According to a classification scheme(2), this estimated Koc value suggests that genistein is expected to be immobile in soil. The estimated pKa value of 7.63(3), indicates that this compound will partially exist in the 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).

L-Saccharopine

saccharopine

997-68-2

accharopin

epsilon-N-(L-glutar-2-yl)-L-lysine

Saccharopin

N6-(L-1,3-dicarboxypropyl)-L-lysine

WBQ73O8W32

N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID

N-[(5S)-5-amino-5-carboxypentyl]-L-glutamic acid

N-[(S)-5-Amino-5-carboxypentyl]-L-glutamic acid

L-Glutamic acid, N-[(5S)-5-amino-5-carboxypentyl]-

((S)-5-amino-5-carboxypentyl)-L-glutamic acid

N-((5S)-5-AMINO-5-CARBOXYPENTYL)-L-GLUTAMIC ACID

UNII-WBQ73O8W32

L-GLUTAMIC ACID, N-((5S)-5-AMINO-5-CARBOXYPENTYL)-

(2S)-2-[[(5S)-5-amino-5-carboxypentyl]amino]pentanedioic acid

(2S)-2-{[(5S)-5-amino-5-carboxypentyl]amino}pentanedioic acid

L-Saccharopin

SACCHAROPINE, L-

N-(5-amino-5-carboxypentyl)-L-glutamic acid

L-SACCHAROPINE [MI]

SCHEMBL187831

L-Glutamic acid, N-(5-amino-5-carboxypentyl)-, (S)-

CHEBI:16927

DTXSID80862507

AKOS030623049

CS-W021047

DB04207

HY-W040307

N(6)-(L-1,3-dicarboxypropyl)-L-lysine

N-(5-amino-5-carboxypentyl)-glutamic acid

NS00014873

L-N-(5-amino-5-carboxypentyl)-Glutamic acid

.EPSILON.-N-(L-GLUTAR-2-YL)-L-LYSINE

C00449

(S)-N-(5-amino-5-carboxypentyl)-L-Glutamic acid

A937066

Q3132238

2-[(5-Amino-5-carboxy-pentyl)amino]pentanedioic acid

(S)-2-((S)-5-amino-5-carboxypentylamino)pentanedioic acid

BE230516-20C4-4441-BF27-4117776E281D

2-Isopropylmalic acid

3237-44-3

2-hydroxy-2-isopropylsuccinic acid

alpha-isopropylmalate

alpha-isopropylmalic acid

2-hydroxy-2-propan-2-ylbutanedioic acid

3-carboxy-3-hydroxyisocaproic acid

2-Hydroxy-2-(1-methylethyl)butanedioic acid

2-hydroxy-2-(propan-2-yl)butanedioic acid

A7T9UY4KVU

Malic acid, 2-isopropyl-

butanedioic acid, 2-hydroxy-2-(1-methylethyl)

3-hydroxy-4-methyl-3-carboxypentanoate

2-isopropylmalate

3-carboxy-3-hydroxy-4-methylpentanoate

alpha-IPM

2-HYDROXY-2-ISOPROPYLSUCCINICACID

UNII-A7T9UY4KVU

bmse000982

bmse001025

SCHEMBL59972

2-Isopropylmalic acid, 98%

.ALPHA.-ISOPROPYLMALATE

CHEBI:28635

DTXSID70863129

DTXSID201021196

HY-N9960

AKOS030570175

SB84200

beta-hydroxy-beta-carboxy-isocaproic acid

AS-81339

3-carboxy-3-hydroxy-4-methylpentanoic acid

CS-0226996

NS00014675

F83120

Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-

J-018719

Q15426256

CD7B7575-5C65-4347-9BAC-D899775FC34D

acetic acid

ethanoic acid

64-19-7

Acetic acid glacial

Ethylic acid

Vinegar acid

Glacial acetic acid

Acetic acid, glacial

Methanecarboxylic acid

Acetasol

Essigsaeure

Acide acetique

Pyroligneous acid

Vinegar

Azijnzuur

Aceticum acidum

Acido acetico

Octowy kwas

Aci-jel

HOAc

ethoic acid

Kyselina octova

Orthoacetic acid

AcOH

Azijnzuur [Dutch]

Ethanoic acid monomer

Acetic

Essigsaeure [German]

Caswell No. 003

Otic Tridesilon

Octowy kwas [Polish]

Acetic acid (natural)

Acide acetique [French]

Acido acetico [Italian]

FEMA No. 2006

Kyselina octova [Czech]

MeCOOH

Acetic acid-17O2

Otic Domeboro

Acidum aceticum glaciale

Acidum aceticum

CH3-COOH

acetic acid-

CH3CO2H

UN2789

UN2790

EPA Pesticide Chemical Code 044001

NSC 132953

NSC-132953

NSC-406306

BRN 0506007

Acetic acid, diluted

INS NO.260

Acetic acid [JAN]

DTXSID5024394

MeCO2H

CHEBI:15366

AI3-02394

CH3COOH

INS-260

Q40Q9N063P

E-260

10.Methanecarboxylic acid

CHEMBL539

NSC-111201

NSC-112209

NSC-115870

NSC-127175

Acetic acid-2-13C,d4

INS No. 260

DTXCID304394

E 260

Acetic-13C2 acid (8CI,9CI)

Ethanoat

Shotgun

MFCD00036152

Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid

285977-76-6

68475-71-8

C2:0

acetyl alcohol

Orlex

Vosol

ACETIC-1-13C-2-D3 ACID-1 H (D)

WLN: QV1

ACETIC ACID (MART.)

ACETIC ACID [MART.]

Acetic acid, >=99.7%

57745-60-5

63459-47-2

FEMA Number 2006

ACETIC-13C2-2-D3 ACID, 97 ATOM % 13C, 97 ATOM % D

Acetic acid, ACS reagent, >=99.7%

ACY

HSDB 40

CCRIS 5952

79562-15-5

methane carboxylic acid

EINECS 200-580-7

Acetic acid 0.25% in plastic container

Essigsaure

Ethylate

acetic aicd

acetic-acid

Glacial acetate

acetic cid

actic acid

UNII-Q40Q9N063P

acetic -acid

Distilled vinegar

Methanecarboxylate

Acetic acid, glacial [USP:JAN]

Acetasol (TN)

Acetic acid,glacial

Carboxymethyl radical

for LC-MS

Vinegar (Salt/Mix)

HOOCCH3

546-67-8

Acetic acid LC/MS Grade

ACETIC ACID [II]

ACETIC ACID [MI]

Acetic acid, ACS reagent

bmse000191

bmse000817

bmse000857

Otic Domeboro (Salt/Mix)

EC 200-580-7

Acetic acid (JP17/NF)

ACETIC ACID [FHFI]

ACETIC ACID [INCI]

Acetic Acid [for LC-MS]

ACETIC ACID [VANDF]

NCIOpen2_000659

NCIOpen2_000682

Acetic acid, glacial (USP)

4-02-00-00094 (Beilstein Handbook Reference)

77671-22-8

Glacial acetic acid (JP17)

UN 2790 (Salt/Mix)

ACETIC ACID [WHO-DD]

ACETIC ACID [WHO-IP]

ACETICUM ACIDUM [HPUS]

GTPL1058

Acetic Acid Glacial HPLC Grade

Acetic acid, analytical standard

Acetic acid, Glacial USP grade

Acetic acid, puriss., >=80%

Acetic acid, 99.8%, anhydrous

Acetic acid, AR, >=99.8%

Acetic acid, LR, >=99.5%

DTXSID001043500

Acetic acid, extra pure, 99.8%

Acetic acid, 99.5-100.0%

Acetic acid, Glacial, ACS Reagent

STR00276

Acetic acid, puriss., 99-100%

Tox21_301453

Acetic acid, glacial, >=99.85%

BDBM50074329

FA 2:0

LMFA01010002

NSC132953

NSC406306

STL264240

Acetic acid, for HPLC, >=99.8%

AKOS000268789

ACIDUM ACETICUM [WHO-IP LATIN]

DB03166

MCULE-8295936189

UN 2789

Acetic acid, >=99.5%, FCC, FG

Acetic acid, natural, >=99.5%, FG

Acetic acid, ReagentPlus(R), >=99%

CAS-64-19-7

USEPA/OPP Pesticide Code: 044001

Acetic acid, USP, 99.5-100.5%

NCGC00255303-01

Acetic acid 1000 microg/mL in Methanol

Acetic acid, SAJ first grade, >=99.0%

DB-085748

Acetic acid 1000 microg/mL in Acetonitrile

Acetic acid, >=99.99% trace metals basis

Acetic acid, JIS special grade, >=99.7%

Acetic acid, purified by double-distillation

NS00002089

Acetic acid, UV HPLC spectroscopic, 99.9%

EN300-18074

Acetic acid, Vetec(TM) reagent grade, >=99%

Bifido Selective Supplement B, for microbiology

C00033

D00010

ORLEX HC COMPONENT ACETIC ACID, GLACIAL

Q47512

VOSOL HC COMPONENT ACETIC ACID, GLACIAL

Acetic acid, glacial, electronic grade, 99.7%

TRIDESILON COMPONENT ACETIC ACID, GLACIAL

A834671

ACETASOL HC COMPONENT ACETIC ACID, GLACIAL

Acetic acid, >=99.7%, SAJ super special grade

ACETIC ACID, GLACIAL COMPONENT OF BOROFAIR

ACETIC ACID, GLACIAL COMPONENT OF ORLEX HC

ACETIC ACID, GLACIAL COMPONENT OF VOSOL HC

SR-01000944354

ACETIC ACID, GLACIAL COMPONENT OF TRIDESILON

SR-01000944354-1

ACETIC ACID, GLACIAL COMPONENT OF ACETASOL HC

Glacial acetic acid, meets USP testing specifications

InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4

Acetic acid, >=99.7%, suitable for amino acid analysis

Acetic acid, >=99.7%, for titration in non-aqueous medium

Acetic acid, for luminescence, BioUltra, >=99.5% (GC)

Acetic acid, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%

Acetic acid, semiconductor grade MOS PURANAL(TM) (Honeywell 17926)

Glacial acetic acid, United States Pharmacopeia (USP) Reference Standard

Acetic acid, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8%

Glacial Acetic Acid, Pharmaceutical Secondary Standard; Certified Reference Material

158461-04-2

2887-46-9

Acetic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, FCC, 99.8-100.5%

The Henry's Law constant for acetic acid has been experimentally determined to be 1.43X10-7 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that acetic acid is expected to be essentially nonvolatile from water surfaces(2). Acetic acid's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to be an important fate process(SRC). Acetic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 15.7 mm Hg at 25 deg C(3).
Literature: (1) Johnson BJ et al; J Atmos Chem 24: 113-119 (1996) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp (1989)

A log Koc of 0.00 (Koc = 1), which was derived from experimental measurements, has been reported for acetic acid(1,2). According to a classification scheme(3), this Koc value suggests that acetic acid is expected to have very high mobility in soil. No detectable sorption was measured for acetic acid using the OECD Guideline 106 method employing an acidic forest soil, pH 2.8, an agricultural soil, pH 6.7, and a lake sediment, pH 7.1(4). Adsorption of acetic acid to 3 nearshore marine sediments collected from three different locations resulted in Kd values of 0.65 (Koc = 228), 0.085 (Koc = 6.5) and 0.046 (Koc = 27) using clastic mud (3.5% organic carbon, pH 7.0), muddy sand (1.3% organic carbon, pH 7.7), and carbonate sand (0.17% organic carbon, pH 8.1), respectively(5). The pKa of acetic acid is 4.76(6), indicating that this compound will exist partially 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(7).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supplemental material) (2006) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (5) Sansone JF et al; Geochimica et Cosmochimica Acta 51: 1889-1896 (1987) (6) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. New York, NY: Pergamon Press, p. 989 (1979) (7) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Literature: #In 24 hr aqueous adsorption studies using montmorillonite and kaolinite clay adsorbents, 2.4-30.4% of added acetic acid was observed to be in the adsorbed phase(1). In adsorption studies using the adsorbent hydroxyapatite (a mineral which occurs in the environment as a result of the diagenesis of skeletal apatite), only 5% of added acetic acid (in aqueous solution, pH 8.0) became adsorbed to the hydroxyapatite(2). Acetic acid has been noted to leach from biological disposal areas(3).
Literature: (1) Hemphill L, Swanson WS; Proc of the 18th Industrial Waste Conf, Eng Bull Purdue Univ, Lafayette IN 18: 204-17 (1964) (2) Gordon AS, Millero FJ; Microb Ecol 11: 289-98 (1985) (3) Abrams EF et al; Identification of Organic Compounds in Effluents from Industrial Sources. USEPA-560/3-75-002 p. 3 (1975)

ERUCIC ACID

(Z)-Docos-13-enoic acid

112-86-7

cis-13-Docosenoic acid

13-Docosenoic acid, (Z)-

13-cis-Docosenoic acid

Hystrene 2290

13Z-docosenoic acid

13-Docosenoic acid, (13Z)-

Prifrac 2990

cis-erucic acid

Z-13-Docosenoic acid

13-Docosenoic acid

(Z)-13-Docosenoic acid

delta13-cis-Docosenoic acid

delta13:14-Docosenoic acid

(13Z)-13-Docosenoic acid

Erucasaeure

CHEBI:28792

cis-eruic acid

HSDB 5015

(13Z)-Docosenoic acid

13(Z)-Docosenoic Acid

NSC 6814

EINECS 204-011-3

C22:1n-9

(13Z)-docos-13-enoic acid

.delta.13-cis-Docosenoic acid

Erucic acid, 85%

UNII-075441GMF2

docos-13c-enoic acid

AI3-18180

Prifac 2990

22:1omega9

NSC-6814

MFCD00063188

NOURACID RE 07

075441GMF2

JARIC 22:1

cis-Delta(13)-docosenoic acid

DTXSID8026931

FA 22:1

13-Docosenoic acid, (13Z)-, dimer

(Z)-13-docosenoate

22:1(N-9)

63541-50-4

1072-39-5

docosensaure

erucasaure

NSC6814

13-docosenoate

13-Docosensaure

C22-fatty acid

cis-13-Docosenoate

Edenor C 22 Eruca

Docosensaure, 13-cic

Edenor U 122

Cis 13-docosaenoic Acid

Erucic acid, >=99%

delta 13-cis-Docosenoate

delta.13-cis-Docosenoate

Cis-docos-13-enoic Acid

ERUCIC ACID [MI]

(Z)-Docos-13-enoicacid

(13Z)-13-Docosenoate

ERUCIC ACID [HSDB]

ERUCIC ACID [INCI]

SCHEMBL5987

13-Docosenoic acid, (Z)

C22:1,n-9 cis

delta 13-cis-Docosenoic acid

delta.13-cis-Docosenoic acid

Docosenoic acid, 13-(Z)-

Fatty Acid 22:1 n-9 cis

Fatty Acid cis 22:1 n-9

DTXCID706931

CHEMBL1173380

Erucic acid, analytical standard

HY-N7109A

(13Z)-13-Docosenoic acid #

13-DOCOSENsaure (ALTSTOFF)

HMS3649F15

HY-N7109

13-DOCOSENSAEURE (ALTSTOFF)

Tox21_200242

BDBM50463967

LMFA01030089

AKOS015961814

DELTA 13:14-DOCOSENOIC ACID

Erucic acid, >=99% (capillary GC)

Erucic acid, technical, ~90% (GC)

13-docosenoic acid (ACD/Name 4.0)

CCG-267904

DELTA(13)-CIS-DOCOSENOIC ACID

NCGC00166073-01

NCGC00166073-02

NCGC00166073-04

NCGC00257796-01

CAS-112-86-7

FA(22:1(13Z))

22:1 n-9

CS-0014094

CS-0203830

D0965

NS00005003

S5383

C08316

F17010

Q413531

SR-01000946653

ERUCIC ACID (CONSTITUENT OF BORAGE SEED OIL)

SR-01000946653-1

W-108635

084C86E4-C0FF-45E5-9F1D-09913C9193BE

The estimated pKa of 4.7(1) indicates erucic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces or moist soil surfaces is not expected to be an important fate process(2). Erucic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.2X10-6 mm Hg(SRC), determined from a fragment constant method(3).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of undissociated erucic acid can be estimated to be 135,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that undissociated erucic acid is expected to be immobile in soil(SRC). The estimated pKa of erucic acid is 4.7(3), indicating that this compound will almost entirely exist in the 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).

linoleic acid

60-33-3

Linolic acid

(9Z,12Z)-octadeca-9,12-dienoic acid

Telfairic acid

cis,cis-Linoleic acid

Linoleate

9,12-Linoleic acid

Emersol 315

cis,cis-9,12-Octadecadienoic acid

Unifac 6550

9Z,12Z-Linoleic acid

cis-9,cis-12-Octadecadienoic acid

Emersol 310

(Z,Z)-9,12-Octadecadienoic acid

Extra Linoleic 90

9Z,12Z-octadecadienoic acid

9-cis,12-cis-Linoleic acid

all-cis-9,12-Octadecadienoic acid

acide linoleique

Linoleic

acido linoleico

Leinoleic acid

9,12-Octadecadienoic acid (9Z,12Z)-

9-cis,12-cis-Octadecadienoic acid

alpha-Linoleic acid

Ronacare asc 3

(9Z,12Z)-Octadecadienoic acid

acide cis-linoleique

Linoleic acid, pure

CCRIS 650

9,12-Octadecadienoic acid (Z,Z)-

9,12-Octadecadienoic acid

CHEBI:17351

HSDB 5200

UNII-9KJL21T0QJ

cis-delta9,12-Octadecadienoic acid

EINECS 200-470-9

9KJL21T0QJ

cis-Delta(9,12)-octadecadienoic acid

9,12-Octadecadienoic acid, (Z,Z)-

NSC 281243

NSC-281243

8024-22-4

DTXSID2025505

AI3-11132

cis-9, cis-12-octadecadienoic acid

C18:2 (n-6)

FEMA NO. 3380, LINOLEIC ACID-

CHEMBL267476

DTXCID505505

9-cis,12-cis-Octadecadienoate

8016-21-5

delta9,12-Octadecadienoic acid

C18:2

C18:2, n-6,9 all-cis

MFCD00064241

NSC281243

cis,cis-linoleate

NCGC00091049-04

VITAMIN F COMPONENT LINOLEIC ACID

VESPULA PENSYLVANICA B708568K063

LINOLEIC ACID (MART.)

LINOLEIC ACID [MART.]

C18:2 9c, 12c omega6 todos cis-9,12-octadienoico

CAS-60-33-3

14C-Linoleic acid

(9Z,12Z)-9,12-octadecadienoic acid

(14C)-Linoleic acid

octadeca-9,12-dienoic acid

SR-01000944790

(14C)alpha-Linolenic acid

9,12 Octadecadienoic Acid

acidelinoleique

7552P0K6PN

Linolate

Acid, 9,12-Octadecadienoic

linoleic-acid

Leinolic acid

trans-9,trans-12-Octadecadienoic acid

85594-37-2

9Z,12Z-Linoleate

80969-37-5

n-6,9 all-cis

Linoleic acid, 95%

9Z,12Z-Octadecadienoate

9-cis,12-cis-Linoleate

Linoleic acid, >=95%

Linoleic acid, >=99%

bmse000497

bmse000604

Epitope ID:117705

POLYLIN NO 515

LINOLEIC ACID [MI]

SCHEMBL7067

(9Z,12Z)-9,12-Octadecadienoic-1-13C Acid

Fatty Acid 18:2 n-6

POLYIN NO.515

cis,12-Octadecadienoic acid

LINOLEIC ACID [FCC]

Pamolyn 125 (Salt/Mix)

cis-D9,12-Octadecadienoate

BSPBio_001374

LINOLEIC ACID [HSDB]

LINOLEIC ACID [INCI]

CCRIS 652

LINOLEIC ACID [VANDF]

UNII-7552P0K6PN

all-cis-9,12-Octadecadienoate

BML3-C03

cis-9,cis-12-Octadecadienoate

GTPL1052

Linoleic acid, >=95%, FG

Linoleic acid, puriss., 90%

LINOLEIC ACID [WHO-DD]

(Z,Z)-9,12-Octadecadienoate

ACon1_000270

BDBM22231

cis-D9,12-Octadecadienoic acid

Linoleic acid, >=93% (GC)

CHEBI:137735

9,12-Octadecadienoic acid, (Z,Z)-, labeled with carbon-14

HMS1361E16

HMS1791E16

HMS1989E16

HMS3402E16

HMS3649F07

HMS3886F05

Linoleic acid, analytical standard

9,12-Octadecadienoic acid (VAN)

cis,cis,9,12-Octadecadienoic acid

HY-N0729

9,12-Octadecadienoic acid, (Z)-

Tox21_111067

Tox21_202171

Tox21_303080

(9Z,12Z)-9,12-Octadecadienoate

C18:2 9c

cis,cis-octadeca-9,12-dienoic acid

cis-9,cis-12-Octadecadienoic acid,

LMFA01030120

s5821

(Z,Z)-Octadeca-9, 12-dienoic acid

9,12-Octadecadienoic acid, (E,E)-

9,12-Octadecadienoic acid, cis,cis-

AKOS015951293

Cis, cis-octadeca-9,12-dienoic acid

DB14104

(Z)-9,12-OCTADECADIENOIC ACID

9-(Z), 12-(Z)-Octadecadienoic acid

cis-.DELTA.9,12-Octadecadienoic acid

IDI1_033844

NCGC00091049-01

NCGC00091049-02

NCGC00091049-03

NCGC00091049-05

NCGC00091049-06

NCGC00091049-07

NCGC00257024-01

NCGC00259720-01

12c omega6 todos cis-9,12-octadienoico

AC-33770

AS-12672

BP-31121

FA(18:2(9Z,12Z))

Linoleic acid, technical, 60-74% (GC)

Octadeca-9,12-dienoic acid, (cis,cis)-

AI3-36448

9,Z)-

CS-0009742

L0053

L0124

NS00010521

C01595

EN300-383983

LINOLEIC ACID (CONSTITUENT OF SPIRULINA)

9, (Z)-

A832696

Q407426

LINOLEIC ACID (CONSTITUENT OF FLAX SEED OIL)

LINOLEIC ACID (CONSTITUENT OF SAW PALMETTO)

SR-01000944790-1

SR-01000944790-3

BRD-K08973992-001-03-9

LINOLEIC ACID (CONSTITUENT OF BORAGE SEED OIL)

LINOLEIC ACID (CONSTITUENT OF SPIRULINA) [DSC]

5CE5E1F3-8859-4C5B-9AFE-E44A7076DF6E

LINOLEIC ACID (C18:2) (CONSTITUENT OF KRILL OIL)

LINOLEIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]

Linoleic acid, liquid, BioReagent, suitable for cell culture

Linoleic acid, 2.0 mg/mL in ethanol, certified reference material

cis,cis-9,12-octadecadienoic acid; LINOLEATE; emersol315; Linoleic; unifac6550;

30175-49-6

LIN

The Henry's Law constant for linoleic acid is estimated as 2.0X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 8.68X10-7 mm Hg(1), and water solubility, 1.59 mg/L(2). This Henry's Law constant indicates that linoleic acid is expected to be essentially nonvolatile from water surfaces(3). Linoleic acid's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Linoleic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure.
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng., New York, NY: Hemisphere Pub Corp, Vol 5 (1998) (2) Mabrouk AF, Dugan LR Jr; J American Oil Chemists Society 38(1): 9-13 (1961) (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 linoleic acid can be estimated to be 1.2X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that undissociated linoleic acid is expected to be immobile mobility in soil. The pKa of linoleic acid is 4.77(3), indicating that this compound will exist primarily 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. 4.11. Nov, 2012. Available from, as of Jan 20, 2014: 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 Chemical Data Series No.23 NY, NY: Pergamon Press. p. 726 (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)

ISOVALERIC ACID

3-Methylbutanoic acid

503-74-2

Isopentanoic acid

3-Methylbutyric acid

Delphinic acid

Isopropylacetic acid

Isovalerianic acid

Butanoic acid, 3-methyl-

Isobutylformic acid

Isovalerianic

beta-Methylbutyric acid

Acetic acid, isopropyl-

3-Methylbutyrate

Butyric acid, 3-methyl-

3-methyl-butanoic acid

Kyselina isovalerova

Isobutyl formic acid

Isovaleriansaeure

FEMA No. 3102

3-methyl-n-butyric acid

Isovaleric acid (natural)

FEMA Number: 3102

3-Methylbuttersaeure

3-methyl butyric acid

3-methyl-butyric acid

NSC 62783

HSDB 629

.beta.-Methylbutyric acid

EINECS 207-975-3

MFCD00002726

b-Methylbutyric acid

UNII-1BR7X184L5

BRN 1098522

DELPHINIC-ACID

DTXSID5029182

CHEBI:28484

AI3-24132

1BR7X184L5

NSC-62783

3,4-Diisovaleryl adrenaline

DTXCID309182

3-Methyl-d3-butyric--d4 Acid

EC 207-975-3

4-02-00-00895 (Beilstein Handbook Reference)

Butanoic acid, 3-methyl-, (R)-

isopropylacetate

IVA

ISOVALERIC ACID (MART.)

ISOVALERIC ACID [MART.]

Kyselina isovalerova [Czech]

92634-50-9

methyl butanoic acid

METHYLBUTANOIC ACID

b-Methylbutyrate

iso-valeric acid

3-Methylbutanoicacid

iso-C4H9COOH

Isovaleric acid, 99%

bmse000373

SCHEMBL43436

ISOVALERIC ACID [MI]

ISOVALERIC ACID [FCC]

ISOVALERIC ACID [FHFI]

ISOVALERIC ACID [HSDB]

CHEMBL568737

WLN: QV1Y1&1

ISOVALERIC ACID [WHO-DD]

AMY40214

BCP32116

NSC62783

STR08356

Isovaleric acid, analytical standard

Tox21_201604

BBL027399

Isovaleric acid (mixture of isomers)

LMFA01020181

s6287

STL146358

AKOS000119861

Isovaleric acid, >=99%, FCC, FG

CS-W013696

DB03750

HY-W012980

MCULE-5805071360

3-Methylbutyric acid: isopropyl-Acetate

Isovaleric acid sodium salt (Salt/Mix)

Isovaleric acid, natural, >=98%, FG

NCGC00249082-01

NCGC00259153-01

35915-22-1

CAS-503-74-2

3-Methylbutyric acid: isopropyl-Acetic acid

M0182

NS00001831

EN300-19718

C08262

D78213

Q415536

J-522594

F2191-0067

Z104474910

3-Methylbutanoic acid;3-Methylbutyric acid;Isopentanoic acid

InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7

The Henry's Law constant for isovaleric acid was measured as 8.33X10-7 atm-cu m/mole(1). This value indicates that isovaleric acid will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 45 days(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 330 days(2,SRC). In addition, a pKa of 4.78 for isovaleric acid(3) indicates that isovaleric acid will not significantly volatilize from water as it will exist predominately in the ionic form under environmental pHs(SRC). Isovaleric acid's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isovaleric acid is not expected to volatilize from dry soil surfaces(SRC) based on a measured vapor pressure of 0.44 mm Hg(4).
Literature: (1) Khan I, Brimblecombe P; J Aerosol Sci 23: S897-S900 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Leung HW, Paustenbach DJ; Am J Ind Med 18: 714-23 (1990) (4) Yaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston,TX: Gulf Publ Co. p. 387 (1994)

The Koc of isovaleric acid is estimated as approximately 100(SRC), using a measured log Kow of 1.16(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that isovaleric 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. Heller SR (consult ed) Washington, DC: Amer Chem Soc p. 14 (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)