2-Methoxy-5-methylthiophene

Thiophene, 2-methoxy-5-methyl-

31053-55-1

SCHEMBL434813

2-Methoxy-5-methylthiophene #

DTXSID50185013

RULFUZCLYMDADI-UHFFFAOYSA-N

DA-07074

2-Methyl-3-furanthiol

28588-74-1

2-Methylfuran-3-thiol

3-FURANTHIOL, 2-METHYL-

2-methyl-3-furanethiol

2-Methyl-3-mercaptofuran

2-Methyl-3-furylthiol

2-Methyl-3-furylmercaptan

3-Mercapto-2-methylfuran

2-methyl-furan-3-thiol

FEMA No. 3188

2-methyl-3-sulfanylfuran

2-methyl-3-mercapto-furan

2-Methyl, 3-furanethiol

Furan-3-thiol, 2-methyl

DTXSID5047118

N21RW1N179

Oxycyclothione 030

EINECS 249-094-7

UNII-N21RW1N179

methyl furanthiol

MFCD00010280

2-methyluran-3-thiol

2-methyl-3-furan thiol

SCHEMBL691744

CHEMBL3188696

DTXCID3027118

FEMA 3188

2-Methyl-3-furanthiol (90%)

CHEBI:167074

METHYL-3-FURANTHIOL, 2-

Tox21_302709

2-Methyl-3-furanthiol, 95%, FG

2-Methyl-3-furanthiol (90per cent)

AKOS015897434

2-METHYL-3-FURYLTHIOL [FHFI]

CS-W011245

SB60941

2-Methyl-3-furanthiol, technical grade

NCGC00256792-01

AS-47693

CAS-28588-74-1

DB-021329

M1847

NS00012894

EN300-126929

F15479

Q-100360

Q27284403

2,3-Dimethylthiophene

632-16-6

Thiophene, 2,3-dimethyl-

2,3-dimethyl-thiophene

MFCD00130081

VJY61TQ8W6

2,3,Dimethylthiophene

EINECS 211-170-2

2.3-Dimethylthiophene

DIMETHYLTHIOPHENE

2,3-dirnethylthiophene

2,3-dimethyl thiophene

2,3- dimethyl-thiophene

UNII-VJY61TQ8W6

SCHEMBL113923

DTXSID50212550

BBL102631

GEO-01225

STL556434

AKOS005167027

PS-5890

SB66949

DB-021331

NS00035369

C16125

EN300-100000

A834280

W-200471

alpha-Calacorene

21391-99-1

(S)-1-Isopropyl-4,7-dimethyl-1,2-dihydronaphthalene

(1S)-4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene

(1S)-4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene

DTXSID201020798

1,1,5,6-Tetramethyl-1,2-dihydronaphthalene

WVVRPGLEZQJUSX-UHFFFAOYSA-N

Naphthalene, 1,2-dihydro-1,1,5,6-tetramethyl-

CALAMENENE

cis-Calamenene

483-77-2

72937-55-4

(+/-)-Cadina-1,3,5-triene

Calamenene, cis-(+/-)-

5C6W67N6XM

Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-cis)-

R8O22WBF8L

UNII-5C6W67N6XM

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

(-)-Calamenene

Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R,4R)-rel-

(Z)-calamenene

1-S-cis-Calamenene

Cadina-1,3,5-triene

1S-CIS-CALAMENENE

UNII-R8O22WBF8L

CALAMENENE, (-)-

(1S,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

(1S,4S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

CALAMENENE, CIS-(-)-

IT SHOULD BE NOTED THAT cis-calamenene is eluted late vs trans-calamenene

DTXSID40880702

CHEBI:218611

PGTJIOWQJWHTJJ-STQMWFEESA-N

DTXSID501042907

(-)-CADINA-1,3,5-TRIENE

NS00095902

Q63398612

(1S-cis)-1,6-Dimethyl-4-(1-methylethyl)-1,2,3,4-tetrahydronaphthalene

1,2,3,4-tetrahydro-1,6-dimethyl-4(1-methylethyl)-(1s-cis)-naphthalene

Rel-(1S,4S)-4-isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

(1S,4S)-1,2,3,4-TETRAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)NAPHTHALENE

naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4- (1-methylethyl)-, (1S-cis)-

NAPHTHALENE, 1,6-DIMETHYL-4-(1-METHYLETHYL)-1,2,3,4-TETRAHYDRO-, (1S-Z)-

trans-Calamenene

(+)-trans-Calamenene

XCK5IBT7TK

Calamenene, trans-(+)-

40772-39-2

(-)-Calamenene

Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S,4R)-

UNII-XCK5IBT7TK

(1R,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

PGTJIOWQJWHTJJ-QWHCGFSZSA-N

Q67880179

(1S,4R)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene

(-)-alpha-curcumene

l-alpha-Curcumene

4176-17-4

(R)-(-)-curcumene

(R)-curcumene

(R)-(-)-alpha-curcumene

1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]benzene

4-[(1R)-1,5-dimethylhex-4-enyl]-1-methylbenzene

Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (R)-

CHEBI:10225

L-a-Curcumene

(R)-ar-Curcumene

(-)-a-Curcumene

(R)-(-)-a-Curcumene

CHEMBL469717

DTXSID50194584

C09649

(R)-1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene

Q27108606

(+)-Cuparene

Cuparene

16982-00-6

(R)-Cuparene

(R)-1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene

1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene

Cuparene, (+)-

56324-31-3

(R)-(+)-p-(1,2,2-Trimethylcyclopentyl)toluene

24IR5X2B93

Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-

Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-

UNII-24IR5X2B93

EINECS 241-061-5

1-Methyl-4-(1,2,2-trimethylcyclopentyl)benzene #

(R)-1-(p-Tolyl)-1,2,2-trimethylcyclopentane

DTXSID70168762

CHEBI:167407

MFCD00043118

AKOS015914036

LMPR0103140001

SB46933

TS-10159

NS00021037

J-010581

(+)-Cuparene, >=99.0% (sum of enantiomers, GC)

Q27253858

Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (theta)-

BENZENE, 1-METHYL-4-(1,2,2-TRIMETHYLCYCLOPENTYL)-, (.THETA.)-

safrole

94-59-7

Safrol

5-Allyl-1,3-benzodioxole

Shikimole

Shikomol

Sassafras

Safrene

Safrole MF

Shikimol

1,3-Benzodioxole, 5-(2-propenyl)-

Allylcatechol methylene ether

5-(2-Propenyl)-1,3-benzodioxole

m-Allylpyrocatechin methylene ether

4-Allyl-1,2-methylenedioxybenzene

Allylpyrocatechol methylene ether

3,4-(Methylenedioxy)allylbenzene

4-Allylpyrocatechol formaldehyde acetal

5-prop-2-enyl-1,3-benzodioxole

1-Allyl-3,4-methylenedioxybenzene

Allyldioxybenzene methylene ether

RCRA waste number U203

Caswell No. 729

1,2-Methylenedioxy-4-allylbenzene

Benzene, 4-allyl-1,2-(methylenedioxy)-

1,3-Benzodioxole, 5-allyl-

CCRIS 553

NSC 11831

Benzene, 1,2-methylenedioxy-4-allyl-

HSDB 2653

EINECS 202-345-4

EPA Pesticide Chemical Code 097901

UNII-RSB34337V9

BRN 0136380

CHEBI:8994

3,4-methylenedioxy-allylbenzene

3-(3,4-Methylenedioxyphenyl)prop-1-ene

DTXSID0021254

AI3-00514

RSB34337V9

NSC-11831

4-Allyl-1,2-(methylenedioxy)benzene

DTXCID601254

(Allyldioxy)benzene methylene ether

5-19-01-00553 (Beilstein Handbook Reference)

NSC11831

1,2-methylenedioxy-4-allyl-Benzene

1-Allyl-3,4-(methylenedioxy)benzene

(1,2-(Methylenedioxy)-4-allyl)benzene

M-ALLYL PYROCATECHINMETHYLENE ETHER

SAFROLE (IARC)

SAFROLE [IARC]

1,3-Benzodioxole, 5-(2-propen-1-yl)-

3-[(3,4-Methylenedioxy)phenyl]-1-propene

5-(prop-2-en-1-yl)-2H-1,3-benzodioxole

SAFROLE (USP-RS)

SAFROLE [USP-RS]

5-allyl-benzo(1,3)dioxole

5-allyl-benzo[1,3]dioxole

Safroles

Safrols

CAS-94-59-7

[1,2-(Methylenedioxy)-4-allyl]benzene

RCRA waste no. U203

Safrol glass

5-allylbenzo[d][1,3]dioxole

4 Allyl 1,2 methylenedioxybenzene

4-Allyl-1,2-methylenedioxybenzenes

Alda-89

Spectrum_001446

Safrole, >=97%

1, 5-allyl-

SAFROLE [MI]

Spectrum2_000775

Spectrum3_001105

Spectrum4_001939

Spectrum5_000843

5-Allylbenzo[1,3]dioxole

1, 5-(2-propenyl)-

5-allyl-benzo-1,3-dioxole

SCHEMBL56828

BSPBio_002810

KBioGR_002319

KBioSS_001926

MLS001056251

DivK1c_001022

SPECTRUM1503620

SPBio_000850

3,4-Methylenedioxy-allybenzene

Safrole, 10mg/ml in Methanol

CHEMBL242273

5-?Allyl-?1,3-?benzodioxole

SCHEMBL13045858

HMS503M05

KBio1_001022

KBio2_001926

KBio2_004494

KBio2_007062

KBio3_002030

NINDS_001022

HMS1922E22

NCI-C00362

3, 4-(Methylenedioxy)allylbenzene

1-Allyl,3,4-methylenedioxy benzene

Tox21_202439

Tox21_300520

MFCD00005841

1,2-(Methylenedioxy)-4-allylbenzene

WLN: T56 BO DO CHJ G2U1

(E)5-1-Propenyl]-1,3-benzodioxole

AKOS016017163

1, 2-(Methylenedioxy)-4-allylbenzene

4-?Allyl-?1,2-?methylenedioxybenzene

4-Allyl-1, 2-(methylenedioxy)benzene

5-Allyl-1,3-benzodioxolerlet DS Base

CCG-214763

FS-3451

SDCCGMLS-0066708.P001

3-(3,4-methylendioxyphenyl)-1-propene

5-(2-propen-1-yl)-1,3-benzodioxole

IDI1_001022

USEPA/OPP Pesticide Code: 097901

NCGC00091122-01

NCGC00091122-02

NCGC00091122-03

NCGC00091122-04

NCGC00091122-05

NCGC00091122-06

NCGC00091122-07

NCGC00254416-01

NCGC00259988-01

AC-34312

SMR001216599

5-(2-Propenyl)-1,3-benzodioxole, 9CI

4-Allyl-1,2-(methylenedioxy)benzene, 8CI

DB-057512

NS00017606

Q412424

SR-05000002392

Safrole, certified reference material, TraceCERT(R)

SR-05000002392-1

BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE

4-Allyl-1,2-methylenedioxybenzene; 5-Prop-2-enyl-1,3-benzodioxole

InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H

The Henry's Law constant for safrole is estimated as 9.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that safrole is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5.3 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 42 days(SRC). Safrole's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Safrole is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 0.0706 mm Hg(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) Ohe S; Computer Aided Data Book of Vapor Pressure. Data Book Publ. Co., Tokyo, Japan (1976)

Using a structure estimation method based on molecular connectivity indices(1), the Koc for safrole can be estimated to be 300(SRC). According to a classification scheme(2), this estimated Koc value suggests that safrole is expected to have moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

hesperetin

Hesperitin

520-33-2

3',5,7-Trihydroxy-4'-methoxyflavanone

(-)-hesperetin

(S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one

YSO2

41001-90-5

5,7,3'-Trihydroxy-4'-methoxyflavanone

Cyanidanon 4'-methyl ether 1626

NSC 57654

Prestwick_908

(-)-(S)-hesperetin

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

NSC-57654

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

Eriodictyol 4'-monomethyl ether

CHEBI:28230

Q9Q3D557F1

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

MFCD00075646

(2S)-hesperetin

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

(2s)-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-2,3-Dihydro-4h-1-Benzopyran-4-One

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

EINECS 208-290-2

Hesperitine

UNII-Q9Q3D557F1

(S)-Hesperetin

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

(2S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one (Hesperetin)

6JP

TNP00238

(+-)-Hesperetin

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

4'-Methoxy-3',5,7-trihydroxyflavanone

Spectrum_000181

HESPERETIN [MI]

(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one

Prestwick0_000124

Prestwick1_000124

Prestwick2_000124

Prestwick3_000124

Spectrum2_001793

Spectrum3_001104

Spectrum4_001935

Spectrum5_000683

HESPERETIN [FHFI]

HESPERETIN [INCI]

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone

Oprea1_828704

SCHEMBL39833

BSPBio_000168

BSPBio_002808

KBioGR_002311

KBioSS_000661

SPECTRUM310012

Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN)

MLS002154205

BIDD:ER0512

DivK1c_001039

SPBio_001745

SPBio_002107

BPBio1_000186

CHEMBL399121

DTXSID4022319

FEMA NO. 4313

BCBcMAP01_000087

BDBM23418

GTPL10953

HMS503O19

KBio1_001039

KBio2_000661

KBio2_003229

KBio2_005797

KBio3_002028

NINDS_001039

HMS1568I10

HMS2095I10

HMS2230M09

HMS3649H22

HMS3884N11

NP-13

(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one

BCP28273

HY-N0168

BBL104011

CCG-38441

LMPK12140003

s2308

STL557824

AKOS016339567

AC-7970

DB01094

KS-5307

SDCCGMLS-0066605.P001

IDI1_001039

SMP1_000148

NCGC00016482-01

NCGC00016482-02

NCGC00016482-03

NCGC00016482-04

NCGC00142415-01

NCGC00142415-02

1ST40171

5,7, 3'-Trihydroxy-4'-methoxyflavanone

CAS-520-33-2

SMR001233491

Flavanone, 3',5,7-trihydroxy-4'-methoxy-

H0721

Hesperitin; Hesperin; YSO2; Prestwick_908

NS00014845

SW197026-2

C01709

H10029

A828900

Discontinued. Please see H289480 or H289501

Q411310

SR-01000946723

SR-01000946723-1

BRD-K30553453-001-05-8

BRD-K30553453-001-08-2

Flavanone, 3',5, 7-trihydroxy-4'-methoxy- (VAN)

Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) (8CI)

(S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one;Hesperetin

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

2,3-DIHYDRO-5,7-DIHYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE

(-)-Epicatechin gallate

1257-08-5

Epicatechin gallate

(-)-epicatechingallate

(-)-Epicatechin-3-O-gallate

L-Epicatechin gallate

epicatechin monogallate

(-)-Epicatechin-3-gallate

Teatannin

(-)-Epicatechin 3-O-gallate

ECG

Epicatechol, gallate

3-O-Galloylepicatechin

epicatechin-3-O-gallate

(-)-cis-3,3',4',5,7-Pentahydroxyflavane 3-gallate

3-Gallate(-)-Epicatechol

CHEMBL36327

[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

CHEBI:70255

92587OVD8Z

MFCD00075936

(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate

Epicatechin-3-galloyl ester

Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester

Epicatechin 3-gallate

epi-Catechin 3-O-gallate

epicatechin gallate, (2R-cis)-isomer

NSC 636594

UNII-92587OVD8Z

NSC636594

(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

Epicatechol, 3-gallate, (-)-

NSC-636594

(-)epicatechingallate

Spectrum_000314

L-ECG

SpecPlus_000275

(-) epicatechin gallate

epicatechin-gallate-(-)

Spectrum2_000165

Spectrum3_000246

Spectrum4_001540

Spectrum5_000080

epicatechin gallate (ECG)

(-)-Epicatechin 3-gallate

(?)-Epicatechin 3-gallate

SCHEMBL39047

BSPBio_001632

EPICATECHOL 3-GALLATE

KBioGR_001980

KBioSS_000794

SPECTRUM210238

Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-cis)-

DivK1c_006371

EPICATECHINGALLATE, L-

SPBio_000029

(-)EPICATECHIN GALLATE

MEGxp0_000810

EPICATECHIN 3-O-GALLATE

GTPL12462

KBio1_001315

KBio2_000794

KBio2_003362

KBio2_005930

KBio3_001132

DTXSID70925231

3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester

HY-N0002

BDBM50153015

CCG-38376

LMPK12020090

s3925

AKOS015965216

AC-6037

AM84365

CS-3761

MCULE-8110076741

SDCCGMLS-0066549.P001

(-)-cis-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate

(-)-EPI CATECHIN-3-O-GALLATE

[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate

NCGC00179135-01

NCGC00179135-02

1ST40120

AS-15722

E0890

NS00094557

SR-05000002675

Q-200002

Q5382492

SR-05000002675-1

BRD-K50660797-001-01-0

BRD-K50660797-001-03-6

(-)-Epicatechin gallate, >=98% (HPLC), from green tea

Epicatechin gallate, primary pharmaceutical reference standard

rel-(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate

(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

3,4,5-Trihydroxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester

Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2H-1-benzopyran-3-yl ester, (-)-cis-

(-)-Epigallocatechin gallate

EGCG

989-51-5

Epigallocatechin gallate

Epigallocatechin 3-gallate

Tea catechin

Epigallocatechin-3-gallate

Teavigo

Epigallocatechin-3-monogallate

(-)-Epigallocatechin-3-o-gallate

(-)-epigallocatechin 3-gallate

PF-EGCg 90

(-)-Epigallocatechol gallate

NVP-XAA 723

CCRIS 3729

(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate

Catechin deriv.

UNII-BQM438CTEL

BQM438CTEL

epigallocatechin-3-O-gallate

CHEBI:4806

Epigallocatechingallate

Epigallocatechin-gallate

Epigallocatechol, 3-gallate, (-)-

(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

CHEMBL297453

[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

DTXSID1029889

[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4,5-trihydroxybenzoate

Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester

EGCG cpd

(-)-Epigallocatechin Gallate (Standard)

(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Gallic acid, 3-ester with epigallocatechol, (-)-

DTXCID80567

(-)-cis-3,3',4',5,5',7-Hexahydroxy-flavane-3-gallate

epigallo-catechin gallate

(-)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-gallate

Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-

Benzoic acid, 3,4,5-trihydroxy-,(2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester

CAS-989-51-5

SMR000449288

SR-01000759328

(-)-EPIGALLOCATECHIN-3-O-GALLATE (USP-RS)

(-)-EPIGALLOCATECHIN-3-O-GALLATE [USP-RS]

L-Epigallocatechin gallate

Epigallocate

Sunphenon

EPIGALOCATECHIN GALLATE

(-)-EGCG

Epigallocic acid

Teatannin II

2kdh

3oob

4awm

(-)-epigallocatechin 3-O-gallate

KDH

Epigallocatcchin Gallate

Epigallocatechol Gallate

Spectrum_000316

SpecPlus_000277

Spectrum2_000168

Spectrum3_000244

Spectrum4_001541

Spectrum5_000102

Galloyl-L-epigallocatechol

EGCG [WHO-DD]

EGCG [MI]

3-O-Galloylepigallocatechin

(-)-Epigallocatechin gallat

(-)-Epigallocatehin gallate

SCHEMBL35258

BSPBio_001628

epigallocatechin-gallate-(-)

KBioGR_002002

KBioSS_000796

SPECTRUM210239

cid_65064

MLS000758300

MLS001424000

DivK1c_006373

SPBio_000035

Epigallocatechin monogallate, B

GTPL7002

MEGxp0_001166

(-)-Epigallocatechin-3-gallate

ACon1_001054

KBio1_001317

KBio2_000796

KBio2_003364

KBio2_005932

KBio3_001128

HMS2051K21

HMS3649E08

3-O-Galloyl-(-)-epigallocatechin

EPIGALLOCATECHIN 3-O-GALLATE

Tox21_201468

Tox21_303457

BDBM50070942

CCG-38378

FR-109

HY-13653R

LMPK12030005

MFCD00075940

s2250

AKOS015918182

CS-1258

DB12116

DS-9030

EPIGALLOCATECHIN GALLATE [INCI]

MCULE-3341525983

MCULE-7760530136

NC00078

SDCCGMLS-0066550.P001

(-)-Epigallocatechin gallate, >=95%

(-)-Epigallocatechin-3-gallate; EGCG

NCGC00164319-01

NCGC00164319-02

NCGC00164319-03

NCGC00164319-04

NCGC00164319-06

NCGC00257243-01

NCGC00259019-01

(-)-Epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate)

1ST40118

AC-34075

BP-30205

HY-13653

CS-0694875

E0694

NS00015163

SW197458-3

C09731

M01719

(-)-Epigallocatechin gallate, >=97.0% (HPLC)

(-)-Epigallocatechin gallate, analytical standard

A845931

Q393339

SR-01000946601

Q-100914

SR-01000759328-5

SR-01000759328-6

SR-01000946601-1

Epigallocatechin-3-gallate 1000 microg/mL in Acetonitrile

(-)-Epigallocatechin gallate, >=80% (HPLC), from green tea

Epigallocatechin gallate, primary pharmaceutical reference standard

((2R,3R)-2-(3,4,5-trihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl) 3,4,5-trihydroxybenzoate

(-)-Epigallocatechin-3-O-gallate, United States Pharmacopeia (USP) Reference Standard

(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl3,4,5-trihydroxybenzoate

[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 2,3,4-trihydroxybenzoate

Epigallocatechin gallate, Pharmaceutical Secondary Standard; Certified Reference Material

(-)-cis-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1(2H)-benzopyran-3-yl Gallate

(-)-EPIGALLOCATECHIN GALLATE (85% (-)-EPIGALLOCATECHIN GALLATE, 10% (-)-EPIGALLOCATECHIN, 5% (-)-EPICATECHIN GALLATE)

(-)-EPIGALLOCATECHIN-3-O-GALLATE (EGCG) (CONSTITUENT OF POWDERED DECAFFEINATED GREEN TEA EXTRACT)

(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoate

(2R-cis)-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl 3,4,5-Trihydroxybenzoate

[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]3,4,5-trihydroxybenzoate

2041570-28-7

3,4-Dihydro-5,7-dihydroxy-2R-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3R-yl-3,4,5-trihydroxybenzoate

ANETHOLE

trans-Anethole

4180-23-8

104-46-1

(E)-Anethole

p-Propenylanisole

(E)-1-Methoxy-4-(prop-1-en-1-yl)benzene

Anise camphor

Isoestragole

4-Propenylanisole

Monasirup

Anethol

cis-Anethol

(E)-p-Propenylanisole

trans-p-Propenylanisole

trans-Anethol

p-Anethole

Anethole, trans

Anisole, p-propenyl-

1-Methoxy-4-(prop-1-en-1-yl)benzene

1-methoxy-4-[(E)-prop-1-enyl]benzene

(E)-Anethol

Aniskampfer

Anethole, trans-

trans-1-p-Anisylpropene

p-1-Propenylanisole

(E)-1-(4-Methoxyphenyl)propene

1-Methoxy-4-propenylbenzene

1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene

4-Methoxypropenylbenzene

trans-4-(1-Propenyl)anisole

FEMA No. 2086

Benzene, 1-methoxy-4-(1-propenyl)-

(E)-1-Methoxy-4-(1-propenyl)benzene

trans-p-Methoxy-beta-methylstyrene

1-Methoxy-4-(1-propenyl)benzene

4-Methoxy-1-propenylbenzene

p-Propenylphenyl methyl ether

Propene, 1-(p-methoxyphenyl)-

t-anethole

1-Propene, 1-(4-methoxyphenyl)-

Anethole (natural)

Benzene, 1-methoxy-4-(1-propenyl)-, (E)-

trans-1-Methoxy-4-(1-propenyl)benzene

trans-p-Anethole

Benzene, 1-methoxy-4-(1E)-1-propenyl-

NSC 4018

MFCD00009284

Q3JEK5DO4K

NSC-209529

1-Methoxy-4-(1E)-1-propen-1-ylbenzene

Benzene, 1-methoxy-4-(1-propen-1-yl)-

p-Methoxy-.beta.-methylstyrene

50770-19-9

DTXSID9020087

Trans-Anethole ((E)-Anethole)

CHEBI:35616

NSC4018

Anethole (NF)

Anethole [NF]

(E)-1-p-Methoxyphenylpropene

Methoxy-4-propenylbenzene

(E)?-Anethole

trans-1-(p-Methoxyphenyl)-1-propene

trans-1-(4-Methoxyphenyl)-1-propene

DTXCID0086

DTXCID2087

1-Methoxy-4-((1E)-1-propenyl)benzene

E-anethole

trans-Anethole (natural)

1-(4-Methoxyphenyl)-1(3)-propene

Acintene O

(E)-1-methoxy-4-(prop-1-enyl)benzene

p-(1-Propenyl)anisole

CAS-104-46-1

4-(1-propenyl)anisole

Propenylanisole, p-, (E)-

CAS-4180-23-8

Anethol (synthetic)

Anisole, p-propenyl-, trans-

Anisole, p-propenyl-, (E)-

CCRIS 2481

1-(p-Methoxyphenyl)propene

1-p-Methoxyphenylpropene, trans-

Caswell No. 051B

p-Propenylmethoxybenzene

FEMA Number 2086

SR-05000001866

1-(methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene

4-06-00-03796 (Beilstein Handbook Reference)

EINECS 224-052-0

UNII-Q3JEK5DO4K

Methoxy-beta-methylstyrene, trans-p-

CHEBI:2716

DTXSID4020086

NSC 209529

p-Methoxy-beta-methylstyrene

BRN 0636190

trans-1-(p-Methoxyphenyl)propene

UNII-A79C64YD3Q

1-Methoxy-4-(1-propenyl)benzene, (E)-

CCRIS 6211

1-Methoxy-4-[1-propenyl]benzene #

Anisole, trans-

HSDB 1427

|trans|-Anethole

NCGC00091493-01

Benzene, 1-methoxy-4-(propenyl)-

EINECS 203-205-5

EINECS 256-753-2

EPA Pesticide Chemical Code 015604

BRN 0774229

Benzene, 1-methoxy-4-(propen-1-yl)-

trans-Anethole, 99%

ANETHOLE [INCI]

ANETHOLE [FCC]

AI3-00380

ANETHOLE [II]

ANETHOLE [MI]

4-trans-propenyl-anisole

ANETHOLE [VANDF]

Spectrum5_000727

ANETHOLE [USP-RS]

ANETHOLE [WHO-DD]

ANETHOLE, (E)-

EC 224-052-0

ghl.PD_Mitscher_leg0.12

SCHEMBL48599

BSPBio_002818

trans-p-Methoxypropenylbenzene

2-06-00-00523 (Beilstein Handbook Reference)

SPECTRUM1503705

TRANS-ANETHOLE [FHFI]

WLN: 2U1R DO1

Anethol, natural, 99%, FG

A79C64YD3Q

CHEMBL452630

WLN: 2U1R DO1 -T

HMS1922I20

HMS2089P20

HMS2093I09

HMS3885E16

Pharmakon1600-01503705

trans-Anethole, analytical standard

HY-B0900

NSC-4018

Tox21_111139

Tox21_202001

Tox21_202282

Tox21_300132

BBL027751

CCG-38720

NSC209529

NSC758626

s3779

STK801277

trans-p-Methoxy-.beta.-methylstyrene

trans-Anethole, >=99%, FCC, FG

AKOS000121299

Tox21_111139_1

DS-2756

NSC-758626

methyl 4-(prop-1-en-1-yl)phenyl ether

NCGC00091493-02

NCGC00091493-03

NCGC00091493-04

NCGC00091493-05

NCGC00091493-06

NCGC00091493-07

NCGC00091493-09

NCGC00254015-01

NCGC00259550-01

NCGC00259831-01

AC-34207

LS-13792

SBI-0052758.P002

trans-Anethole, purum, >=98.0% (GC)

NS00001178

P0494

S3990

EN300-18430

Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-

D02377

D70168

AB00053256-02

AB00053256_03

EN300-1695718

A873002

Q255564

(E)-ANETHOLE (CONSTITUENT OF MYRRH) [DSC]

Q-201853

SR-05000001866-1

SR-05000001866-2

W-108812

BRD-K49060658-001-01-5

trans-Anethole, primary pharmaceutical reference standard

Z2315575049

Anethole, United States Pharmacopeia (USP) Reference Standard

BENZENE,1-METHOXY,4-PROPENYL(TRANS) TRANS ANETHOL

InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3

trans-Anethole, Pharmaceutical Secondary Standard; Certified Reference Material

26795-32-4

The Henry's Law constant for anethole can be estimated to be 7.18X10-5 atm-cu m/mole using a structure estimation method(1). This value of Henry's Law constant indicates that volatilization from water is not rapid but possibly significant(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 18 hours(2). The volatilization half-life from a model environmental lake (1 meter deep) can be estimated to be about 9 days(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 p.1515 to 15-29 (1990)

Using a structure estimation method based on molecular connectivity indexes, the Koc for anethole can be estimated to be about 680(1). The Koc for anethole can be estimated to be about 327 based on an experimental water solubility of 111 mg/L(3) and a regression derived equation(2). According to a suggested classification scheme(4), these estimated Koc values suggest that anethole has medium to low soil mobility.
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9, 5-4, 5-10, 7-4, 7-5, 15-15 to 15-32 (1990) (3) Yalkowsky SH; Arizona Database of Aqueous Solubilities. Univ of AZ, College of Pharmacy (1989) (4) Swann RL et al; Res Rev 85: 17-28 (1983)

Ethyl salicylate

ETHYL 2-HYDROXYBENZOATE

118-61-6

Sal ethyl

Mesotol

Salotan

Salicylic ether

Benzoic acid, 2-hydroxy-, ethyl ester

Ethyl o-hydroxybenzoate

Salicylic acid, ethyl ester

Salicylic ethyl ester

2-Hydroxybenzoic acid ethyl ester

o-(Ethoxycarbonyl)phenol

Sal ether

Salicyclic acid, ethyl ester

FEMA No. 2458

NSC 8209

Benzoic acid, hydroxy-, ethyl ester

MFCD00002215

555U6TZ2MV

DTXSID1021958

CHEBI:88839

NSC-8209

NCGC00181161-01

NCGC00181161-02

NCGC00181161-03

1321-50-2

DTXCID601958

CAS-118-61-6

EINECS 204-265-5

BRN 0907659

ethylsalicylate

UNII-555U6TZ2MV

Salstan

AI3-00513

Ethyl salicyclate

Ethyl salicylate, 99%

2-hydroxyethylbenzoic acid

Salicylic Acid Ethyl Ester

WLN: QR BVO2

SCHEMBL39622

2-ETHOXYCARBONYLPHENOL

4-10-00-00149 (Beilstein Handbook Reference)

ETHYL SALICYLATE [MI]

ETHYL SALICYLATE [FCC]

ETHYL SALICYLATE [FHFI]

CHEMBL2251610

FEMA 2458

ETHYL SALICYLATE [MART.]

NSC8209

ETHYL SALICYLATE [WHO-DD]

2-hydroxy-benzoic acid ethyl ester

Tox21_112764

Tox21_113454

Ethyl salicylate, analytical standard

STK397384

AKOS000120529

Tox21_112764_1

AM10831

DB15576

DS-6424

Ethyl salicylate, >=99%, FCC, FG

MCULE-4696992338

NS00012461

S0011

EN300-16108

D70269

METHYL SALICYLATE IMPURITY F [EP IMPURITY]

Q408120

SR-01000944712

J-003857

SR-01000944712-1

Z53833295

F0001-0297

InChI=1/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H

2'-Hydroxypropiophenone

610-99-1

1-(2-hydroxyphenyl)propan-1-one

1-Propanone, 1-(2-hydroxyphenyl)-

2-Propionylphenol

o-Hydroxypropiophenone

o-Propiophenol

AI3-11684

Propiophenone, 2'-hydroxy-

ZGH9CA1BFI

ortho-Hydroxypropiophenone

1-(2-Hydroxyphenyl)-1-propanone

NSC-3785

MFCD00002220

AI311684

2-(Propionyl)phenol

NSC3785

EINECS 210-244-1

UNII-ZGH9CA1BFI

2'-hydroxy-propiophenone

2\'-Hydroxypropiophenone

Propiophenone, o-hydroxy-

EC 210-244-1

2-Hydroxyphenyl ethyl ketone

Ethyl 2-Hydroxyphenyl Ketone

SCHEMBL111675

2?-HYDROXYPROPIOPHENONE

2'-Hydroxypropiophenone, 97%

CHEMBL151116

(3-Isothiocyanatopropoxy)benzene

DTXSID90209868

CHEBI:192968

NSC 3785

AC8486

BBL011846

STL163409

1-(2-Hydroxy-phenyl)-propan-1-one

1-(2-Hydroxyphenyl)-1-propanone #

AKOS000121339

MCULE-6236011886

AC-10642

AS-12054

SY015244

AI3 11684

AI311684AI3-11684

CS-0064037

H0298

NS00003335

EN300-17641

2 inverted exclamation mark -Hydroxypropiophenone

W-105197

Z56969334

F1908-0078

1-(2-HYDROXYPHENYL)-PROPANONE (2-HYDROXY-PROPIOPHENONE)

InChI=1/C9H10O2/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,11H,2H2,1H

1450-72-2

2'-Hydroxy-5'-methylacetophenone

1-(2-Hydroxy-5-methylphenyl)ethanone

2-Hydroxy-5-methylacetophenone

Ethanone, 1-(2-hydroxy-5-methylphenyl)-

o-Acetyl-p-cresol

2-ACETYL-4-METHYLPHENOL

1-(2-Hydroxy-5-Methylphenyl)Ethan-1-One

1-Hydroxy-2-acetyl-4-methylbenzene

1-(2-Hydroxy-5-methyl-phenyl)-ethanone

MFCD00002380

Acetophenone, 2'-hydroxy-5'-methyl-

11661U1ZEN

NSC-26458

NSC-63363

UNII-11661U1ZEN

2-Hydroxy-5-methyl acetophenone

NSC63363

2-Acetyl-p-cresol

EINECS 215-915-2

NCIOpen2_000252

SCHEMBL471440

CHEMBL4444601

DTXSID9061702

FEMA NO. 4594

Methyl 6-hydroxy-m-tolyl ketone

CHEBI:179659

2'-hydroxy-5'-methyl-acetophenone

NSC26458

NSC 26458

NSC 63363

STK727255

AKOS000266093

HY-W100681

MCULE-5089038494

SDCCGMLS-0065880.P001

1-(2-Hydroxy-5-methylphenyl)-Ethanone

2'-Hydroxy-5'-methylacetophenone, 98%

1-(2-Hydroxy-5-methylphenyl)ethanone #

5'-METHYL-2'-HYDROXYACETOPHENONE

BP-12459

PD171706

SY048474

DB-011374

1-(2-Hydroxy-5-methylphenyl)ethanone, 9CI

CS-0153323

H0790

NS00021663

EN300-18588

5D-073

1-(2-HYDROXY-5-METHYLPHENYL)-1-ETHANONE

J-008048

Q27251292

Z85923114

2 inverted exclamation mark -Hydroxy-5 inverted exclamation mark -methylacetophenone

InChI=1/C9H10O2/c1-6-3-4-9(11)8(5-6)7(2)10/h3-5,11H,1-2H

m-cresol

3-methylphenol

108-39-4

Metacresol

Phenol, 3-methyl-

meta-cresol

3-cresol

3-hydroxytoluene

m-methylphenol

m-kresol

m-cresylic acid

1-hydroxy-3-methylbenzene

m-oxytoluene

m-toluol

m-Hydroxytoluene

meta-cresylic acid

1-Methyl-3-hydroxybenzene

Cresol, m-

FEMA No. 3530

hydroxy-3-methylbenzene

CRESOL, META

m-cresylic

m-Cresole

3-methyl-1-hydroxybenzene

NSC 8768

GGO4Y809LO

CHEMBL298312

DTXSID6024200

CHEBI:17231

NSC-8768

m-Cresol, 99%

TOLUENE,3-HYDROXY (META-CRESOL)

Franklin Cresolis

Metacresol (3-Methylphenol)

CRS

m-Kresol [German]

DTXCID804200

Rover's Dog Shampoo

Caswell No. 261A

meta cresol

3-methyl phenol

Cresol, m-isomer

CAS-108-39-4

CCRIS 645

HSDB 1815

Metacresol [USP:BAN]

EINECS 203-577-9

Metacresol; 3-Methylphenol; Amylmetacresol Impurity B

UNII-GGO4Y809LO

EPA Pesticide Chemical Code 022102

3methylphenol

AI3-00136

3-methyl-phenol

Cresol,m-

m-Cresol;

Celcure Dry Mix (chemicals for wood preserving)

Metacresol (USP)

METACRESOL [II]

M-CRESOL [INCI]

METACRESOL [HSDB]

bmse000350

EC 203-577-9

M-CRESOL [WHO-DD]

METACRESOL [USP-RS]

WLN: QR C1

SCHEMBL10736

m-Cresol, analytical standard

m-Cresol, >=98%, FG

SCHEMBL7410931

m-Cresol, for synthesis, 99%

m-Cresol, reagent grade, 97%

METACRESOL [EP IMPURITY]

DTXSID00165845

DTXSID10194060

METACRESOL [EP MONOGRAPH]

METACRESOL [USP IMPURITY]

NSC8768

METACRESOL [USP MONOGRAPH]

3-Methylphenol, analytical standard

Tox21_201941

Tox21_302645

2-TERT-BUTYL-5-METHYL PHENO

BDBM50008548

MFCD00002302

STL185666

AKOS000119006

AM62795

CCG-230271

DB01776

MCULE-6836106503

NCGC00159366-02

NCGC00159366-03

NCGC00159366-04

NCGC00159366-05

NCGC00159366-06

NCGC00256824-01

NCGC00259490-01

AC-14350

BS-23591

m-Cresol, SAJ first grade, >=97.0%

3-Methylphenol 100 microg/mL in Methanol

m-Cresol [UN2076] [Poison, Corrosive]

NS00010658

EN300-19428

AMYLMETACRESOL IMPURITY B [EP IMPURITY]

C01467

D04951

A801870

Q312240

J-002137

J-521679

F0001-0167

Z104473820

Metacresol, United States Pharmacopeia (USP) Reference Standard

InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H

The Henry's Law constant for propionaldehyde is 7.34X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that propionaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 11 hrs(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5.8 days(SRC). Propionaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 317 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (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 NY, NY: Hemisphere Pub Corp (1989)

The Koc of propionaldehyde is estimated as 50(SRC), using a log Kow of 0.59(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that propionaldehyde is expected to have very high mobility in soil.
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. 6 (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)

o-cresol

2-Methylphenol

95-48-7

Orthocresol

2-hydroxytoluene

2-Cresol

Phenol, 2-methyl-

o-methylphenol

o-Cresylic acid

o-Oxytoluene

o-Toluol

1-Hydroxy-2-methylbenzene

ortho-cresol

o-Hydroxytoluene

o-Methylphenylol

o-Kresol

Cresol, ortho-

Cresol, o-

2-Hydroxy-1-methylbenzene

o-Kresol [German]

2-methyl-phenol

Cresol, o-isomer

FEMA No. 3480

1-Methyl-2-hydroxybenzene

NSC 23076

o-Cresol-d3

YW84DH5I7U

DTXSID8021808

CHEBI:28054

2-methyl phenol

MFCD00002226

NSC-23076

NSC-36809

TOLUENE,2-HYDROXY (ORTHO-CRESOL)

o-Cresol [UN2076] [Poison, Corrosive]

2-Methylphenol; o-Cresol

WLN: QR B1

DTXCID901808

hydroxy toluene

CAS-95-48-7

Orthocresol [NF]

CCRIS 646

HSDB 1813

EINECS 202-423-8

UNII-YW84DH5I7U

ortho cresol

Methyl phenol

2-methyiphenol

AI3-00137

JZ0

O-Cresol,(S)

Carvacrol derivative, 9

O-CRESOL [FHFI]

O-CRESOL [INCI]

o-Cresol, >=99%

O-CRESOL [MI]

ORTHOCRESOL [HSDB]

bmse000433

EC 202-423-8

2-Methylphenol (o-cresol)

ortho-cresol,2-methylphenol

SCHEMBL16002

MLS002454426

o-Cresol, analytical standard

BIDD:ER0677

CHEMBL46931

DTXSID00185629

DTXSID40165844

2-Hydroxytoluene; 2-Methylphenol

BDBM248166

HMS2268O24

ORTHOCRESOL [USP IMPURITY]

o-Cresol, for synthesis, 99.3%

2-Methylphenol, analytical standard

NSC23076

NSC36809

Tox21_202305

Tox21_300021

STL194295

o-Cresol, ReagentPlus(R), >=99%

AKOS000119021

MCULE-4124485112

NCGC00091534-01

NCGC00091534-02

NCGC00091534-03

NCGC00091534-04

NCGC00254140-01

NCGC00259854-01

o-Cresol, SAJ first grade, >=97.0%

SMR001252248

2-Methylphenol 100 microg/mL in Methanol

METACRESOL IMPURITY B [EP IMPURITY]

NS00003545

EN300-19429

C01542

Q312708

J-006098

J-523819

F0001-2271

Z104473822

InChI=1/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H

The Henry's Law constant for o-cresol is 1.2X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that o-cresol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 32 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 235 days(SRC). o-Cresol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). o-Cresol may volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.18 mm Hg at 25 °C(3).

A Koc of 22 was measured for o-cresol in a Brookston clay loam soil(1). The log Koc of o-cresol in river sediment and coal sediment was reported as 1.7 and 1.75, respectively(2), which correspond to Koc values of 50 and 56(SRC). Based on measured Freundlich isotherms for o-cresol in five different horizon soils (organic content of 0.3 to 0.9%)(3), the Koc ranged from 36 to 240 with an average of 147(SRC). An o-cresol Koc of 246 was determined in batch experiments using a sandy soil with an organic content of 1.5%(4). According to a classification scheme(5), these Koc values indicate that o-cresol is expected to have very high to moderate mobility in soil.

CUMENE HYDROPEROXIDE

80-15-9

Cumyl hydroperoxide

Cumenyl hydroperoxide

Hydroperoxide, 1-methyl-1-phenylethyl

Cumolhydroperoxid

Cumolhydroperoxide

7-Cumyl hydroperoxide

alpha,alpha-Dimethylbenzyl hydroperoxide

2-hydroperoxypropan-2-ylbenzene

Cument hydroperoxide

Hydroperoxyde de cumene

Hydroperoxyde de cumyle

Cumeenhydroperoxyde

Kumenylhydroperoxid

Isopropylbenzene hydroperoxide

7-Hydroperoxykumen

1-Methyl-1-phenylethyl hydroperoxide

RCRA waste number U096

Hydroperoxide de cumene

Idroperossido di cumene

Idroperossido di cumolo

Percumyl H

CCRIS 3801

HSDB 254

Hyperiz

DTXSID3024869

2-Phenylpropane-2-peroxol

UNII-PG7JD54X4I

EINECS 201-254-7

PG7JD54X4I

alpha,alpha-Dimethylbenzylhydroperoxide

Trigonox K 80

BRN 1908117

Hydroperoxide, 1-methyl-1-phenylethyl-

CHEBI:78673

Hydroperoxide, alpha,alpha-dimethylbenzyl-

PH 80

alpha-Cumyl hydroperoxide

alpha-Cumene hydroperoxide

LUPEROX CU 80

TRIGONOX K 90

Hydroperoxide, alpha,alpha-dimethylbenzyl

DTXCID404869

EC 201-254-7

4-06-00-03221 (Beilstein Handbook Reference)

.alpha.,.alpha.-Dimethylbenzyl hydroperoxide

cumylhydroperoxide

Hydroperoxide, .alpha.,.alpha.-dimethylbenzyl

Cumene Hydroperoxide (80per cent, Technical grade)

Cumolhydroperoxid [German]

Cumeenhydroperoxyde [Dutch]

Kumenylhydroperoxid [Czech]

7-Hydroperoxykumen [Czech]

Hydroperoxyde de cumene [French]

Hydroperoxyde de cumyle [French]

Idroperossido di cumene [Italian]

Idroperossido di cumolo [Italian]

RCRA waste no. U096

r 239a

isopropyl benzene hydroperoxide

cumyl-hydroperoxide

Trigonox K-95

Trigonox R 239A

KAYACUMENE H

dimethylbenzyl hydroperoxide

TRIGONOX R 239R

.alpha.-Cumyl hydroperoxide

CHP-5

.alpha.-Cumene hydroperoxide

SCHEMBL15251

CHEMBL1518369

SCHEMBL11210695

(2-Phenylpropan-2-yl)dioxidanyl

CHP-158

DTXSID00992375

2-phenylpropan-2-yl hydroperoxide

CUMENE HYDROPEROXIDE [HSDB]

Tox21_300283

MFCD00002129

STL453641

AKOS015841738

CCG-207896

UN 2116

2-PHENYL-2-PROPYL HYDROPEROXIDE

CAS-80-15-9

alpha, alpha-dimethylbenzyl hydroperoxide

NCGC00091748-01

NCGC00091748-02

NCGC00091748-03

NCGC00254045-01

Cumene hydroperoxide, technical grade, 80%

C2223

NS00009523

Cumene Hydroperoxide (80%, Technical grade)

ALPHA,ALPHA-DIMETHYLBENZENE HYDROPEROXIDE

Cumene hydroperoxide, technical, ~80% in cumene

Q414439

The Henry's Law constant for cumene hydroperoxide is estimated as 4.7X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 3.27X10-3 mm Hg(1), and water solubility, 1.39X10+4 mg/l(2). This Henry's Law constant indicates that cumene hydroperoxide is expected to be essentially nonvolatile(3). Cumene hydroperoxide is not expected to volatilize from dry soil surfaces based upon a vapor pressure of 3.27X10-3 mm Hg(1). It is expected to rapidly decompose in soil and water(4) and consequently attenuate volatilization to the atmosphere(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data. Amer Inst Chem Eng. NY, NY: Hemisphere Pub Corp 5 Vol (1989) (2) Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth Ed, Tucson, AZ: Univ AZ, of Pharmacy (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Sanchez J et al; Kirk-Othmer Encycl Chem Technol. 4th. NY, NY: Wiley 18: 230-310 (1996)

Using a structure estimation method based on molecular connectivity indices(1), the Koc for cumene hydroperoxide can be estimated to be 2300(SRC). According to a classification scheme(2), this estimated Koc value suggests that cumene hydroperoxide is expected to have slight mobility in soil. Hydroperoxides react with multivalent metal ions and other species ubiquitous in soil and are readily reduced to the corresponding alcohols(3). Therefore, it is expected to chemically degrade rapidly in soil and is not expected to travel long distances in soil or migrate to groundwater(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Sanchez J et al; Kirk-Othmer Encycl Chem Technol. 4th. NY, NY: Wiley 18: 230-310 (1996)