595605-19-9

2-sec-Butyl-5-isopropyl-pyrazine

2-Isopropyl-5-sec-butylpyrazine

2-butan-2-yl-5-propan-2-yl-pyrazine

SCHEMBL17866987

YKOVLVGOQIHYJS-UHFFFAOYSA-N

DB-327311

Pyrazine, 2-(1-methylethyl)-5-(1-methylpropyl)-

Pyrazine,2-(1-methylethyl)-5-(1-methylpropyl)-(9ci)

2,5-diisopropylpyrazine

24294-83-5

2,5-di(propan-2-yl)pyrazine

2,5-Diisopropyl-pyrazine

2,5-bis(propan-2-yl)pyrazine

SCHEMBL5950443

CHEBI:199215

LXJYUERPFWUCNN-UHFFFAOYSA-N

AKOS006370977

AB93060

CS-0449966

InChI=1/C10H16N2/c1-7(2)9-5-12-10(6-11-9)8(3)4/h5-8H,1-4H

2,3,6-TRIMETHYLPYRIDINE

1462-84-6

2,3,6-Collidine

Pyridine, 2,3,6-trimethyl-

0G31C4W0MI

NSC-76593

UNII-0G31C4W0MI

EINECS 215-970-2

NSC 76593

Pyridine,3,6-trimethyl-

2,3,6-trimethyl-pyridine

UNII-S396YQ63EL

SCHEMBL82917

S396YQ63EL

DTXSID5051731

NSC76593

AKOS006274053

MCULE-7286582732

DB-042833

NS00024781

AO-801/41077394

Q27236734

2,3,5-Trimethylpyridine

695-98-7

2,3,5-COLLIDINE

Pyridine, 2,3,5-trimethyl-

2,3,5-Trimethyl pyridine

2,3,5-trimethyl-pyridine

MFCD00126840

33642OT638

EINECS 211-786-1

2,3,5-Collidine (2,3,5-Trimethylpyridine)

2,3,5-Trimethyl-pyridin

SCHEMBL7487

2,3,5-Collidine, 99%

DTXSID80219734

UNII-33642OT638

BCP26366

AKOS005258308

AC-6868

AM81285

CS-W011200

SB52291

AS-10876

DB-024217

A9201

NS00020874

T1722

EN300-97797

F11272

W-104616

Q27891716

3,5-DIMETHYLPYRIDINE

3,5-Lutidine

591-22-0

Pyridine, 3,5-dimethyl-

3,5-dimethyl-pyridine

6Q4YPZ045V

DTXSID5052254

MFCD00006404

NSC-60736

3,5-Lutdcine

3,5-dimethyl pyridine

UNII-6Q4YPZ045V

3,5 lutidine

NSC60736

EINECS 209-708-6

NSC 60736

EC 209-708-6

NCIOpen2_004681

SCHEMBL24225

3,5-Lutidine, >=98%

DTXCID0030825

3,5-Lutidine, analytical standard

BCP26361

Tox21_303943

STL280373

AKOS015891741

AM81286

MCULE-2931433741

NCGC00357179-01

AC-15531

CAS-591-22-0

DB-024152

L0068

NS00006031

EN300-82871

A832172

W-105339

Q23636070

F0001-1549

InChI=1/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H

2,5-DIMETHYLPYRIDINE

2,5-Lutidine

589-93-5

Pyridine, 2,5-dimethyl-

2,5-dimethyl-pyridine

6L09RM76RH

NSC-5089

MFCD00006343

NSC 5089

EINECS 209-666-9

UNII-6L09RM76RH

NSC5089

5-methyl-2-methylpyridine

2,5-Lutidine, 95%

SCHEMBL31030

WLN: T6NJ B1 E1

DTXSID0060436

AKOS005258301

MCULE-9408937494

LS-13280

DB-053300

L0065

NS00022441

EN300-61695

I10249

J-507375

Q23636061

InChI=1/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H

3-METHYLPYRIDINE

3-Picoline

108-99-6

beta-Picoline

Pyridine, 3-methyl-

m-Picoline

m-Methylpyridine

B-Picoline

beta-Methylpyridine

3-Methyl pyridine

.beta.-Picoline

NSC 18251

3-Mepy

.beta.-Methylpyridine

CCRIS 1722

HSDB 4254

EINECS 203-636-9

UNII-B083J4KF7F

B083J4KF7F

DTXSID9021897

CHEBI:39922

AI3-24110

3-Methylpyridine-d7

NSC-18251

METHYLPYRIDINE, 3-

DTXCID201897

EC 203-636-9

meta-Methylpyridine

CAS-108-99-6

3-methypyridine

5-methylpyridine

3-methyl pyridin

pyridine, 3-methyl

MFCD00006402

3-Methylpyridine, 99%

beta-PICOLINE (IARC)

NCIOpen2_004641

MLS001065607

CHEMBL15722

.BETA.-PICOLINE [MI]

3-Picoline, analytical standard

.BETA.-PICOLINE [IARC]

3-METHYLPYRIDINE [HSDB]

3-Methylpyridine, >=99.5%

HMS3039L05

BCP22897

BCP26368

NSC18251

Tox21_201966

Tox21_303001

STL282747

AKOS000119862

AM81278

DB01996

MCULE-7651055603

NCGC00091447-01

NCGC00091447-02

NCGC00256559-01

NCGC00259515-01

PICOLINE (FLAMMABLE LIQUID LABEL)

PD008234

SMR000568465

99.5%(GC)

DB-016018

m-Picoline [UN2313] [Flammable liquid]

NS00002252

P0416

EN300-19742

Q2697560

W-108710

F0001-0187

Z104475010

InChI=1/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H

5HS

The Henry's Law constant for 3-methylpyridine is 7.73X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that 3-methylpyridine 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 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 37 days(SRC). 3-Methylpyridine's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 3-Methylpyridine is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.05 mm Hg at 25 °C(3). 3-Methylpyridine is a weak base with a pKa of 5.63(4), which indicates this compound will partially exist in the protonated form in acidic conditions, and no volatilization from water or moist soil will occur for the cation(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 3-methylpyridine can be estimated to be 115(SRC). According to a classification scheme(2), this estimated Koc value suggests that 3-methylpyridine is expected to have high mobility in soil. The pKa of 3-methylpyridine is 5.63(3), indicating that this compound will exist partially in cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Soil studies with 2-methylpyridine(5), a compound expected to have similar sorption properties as 3-methylpryidine(SRC), demonstrated that Koc can vary with pH with lowest adsorption occurring in the non-ionized form(5).

N-Phenethylacetamide

N-(2-Phenylethyl)acetamide

877-95-2

N-Acetyl-2-phenylethylamine

N-Acetylphenethylamine

N-(Phenethyl)acetamide

Acetamide, N-(2-phenylethyl)-

N-Acetylphenylethylamine

Acetamide, N-phenethyl-

N-beta-Phenylethylacetamide

N-phenethyl-acetamide

N-(2-phenylethyl)-acetamide

N-2-Phenethylacetamide

N-(2-Phenethyl)acetamide

2JXY218SZI

CHEBI:18177

NSC-7177

MFCD00026177

NSC 7177

EINECS 212-897-8

UNII-2JXY218SZI

BRN 2208721

Acetamide,N-(2-phenylethyl)-

acetylphenethylamine

54W

Glipizide Impurity 1

N-acetylphenethylamide

N-Acetyl-phenethylamine

(2-Phenethyl)acetamide

N-(2-phenethyl)-acetamide

SCHEMBL7858

N-(ss-Phenylethyl)acetamide

CHEMBL99827

N-acetyl (2-phenyl)ethylamine

F0020-1761

MEGxm0_000495

DTXSID50236574

n-(2-phenylethyl)acetamide (en)

NSC7177

STK364324

AKOS003082304

GS-0407

MCULE-5686427771

N-(.BETA.-PHENYLETHYL)ACETAMIDE

NCGC00332267-01

SY007035

DB-026826

NS00039222

P1066

C06746

AB00172777-03

A862412

AS-871/40170832

Q27102876

Z27761567

Cyclohexyl isothiocyanate

1122-82-3

ISOTHIOCYANATOCYCLOHEXANE

Cyclohexane, isothiocyanato-

Isothiocyanocyclohexane

Cyclohexyl-isothiocyanat

Isothiocyanic acid, cyclohexyl ester

Cyclohexylisothiocyanate

Cyclohexyl isothiocyanate, isothiocyanato-

isothiocyanato-cyclohexane

NSC-60129

Cyclohexyl-isothiocyanat [German]

EINECS 214-361-9

NSC 60129

Cyclohexyl-isothiocyanat [German]

cylcohexyl isothiocyanate

cyclohexane isothiocyanate

WLN: L6TJ ANCS

2UF76U4DED

SCHEMBL330620

Cyclohexyl isothiocyanate, 98%

DTXSID5061532

CHEBI:229386

CYCLOHEXANE,ISOTHIOCYANATO-

Isothiocyanic Acid Cyclohexyl Ester

NSC60129

BBL011352

GEO-00873

MFCD00003841

STL146442

AKOS000120219

MCULE-5106041105

BP-12923

VS-02927

DB-041071

I0187

NS00010669

EN300-20282

D91097

J-670005

J-801004

J-802179

F0001-0272

InChI=1/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H

100-45-8

3-Cyclohexene-1-carbonitrile

4-Cyano-1-cyclohexene

4-Cyanocyclohexene

cyclohex-3-enecarbonitrile

3-Cyclohexenecarbonitrile

3-Cyclohexenyl cyanide

1-Cyano-3-cyclohexene

cyclohex-3-ene-1-carbonitrile

Cyclohex-3-enenitrile

3-Cyklohexenylkyanid

D65GN9AVCH

NSC-7407

3-Cyklohexenylkyanid [Czech]

4-Cyanocyclohexene-1

1,2,5,6-Tetrahydrobenzonitrile

NSC 7407

UNII-D65GN9AVCH

BRN 0636074

AI3-08635

NSC7407

Tetrahydrobenzonitrile

4-Cyclohexenecarbonitrile

WLN: L6UTJ DCN

4-09-00-00116 (Beilstein Handbook Reference)

SCHEMBL167234

3-aCyclohexene-a1-acarbonitrile

1,2,3,6-Tetrahydrobenzonitrile

DTXSID70861706

MFCD00013778

AKOS006229199

AS-47878

NS00096253

(+/-)-3-CYCLOHEXENE-1-CARBONITRILE

F16653

Q22079568

Octanenitrile

124-12-9

Caprylonitrile

OCTANONITRILE

Heptyl cyanide

Arneel 8

Caprylnitrile

1-Cyanoheptane

DTXSID1047655

D6646V87PY

NSC-5513

n-Heptyl cyanide

NSC 5513

EINECS 204-682-2

BRN 1744063

heptylcyanide

n-heptylcyanide

octane nitrile

UNII-D6646V87PY

AI3-33240

Normal-heptyl cyanide

Heptyl cyanide, 97%

SCHEMBL441

EC 204-682-2

4-02-00-00993 (Beilstein Handbook Reference)

CHEMBL3183772

DTXCID9027655

NSC5513

Tox21_302546

MFCD00001983

AKOS009158784

MCULE-3399476727

NCGC00256895-01

CAS-124-12-9

NS00002805

O0221

J-005045

Q2089283

HEPTANENITRILE

629-08-3

Heptanonitrile

Hexyl cyanide

Enanthonitrile

1-Cyanohexane

Heptane-1-nitrile

1-Heptanonitrile

n-Heptanenitrile

UA4Z3QT98A

DTXSID0021599

NSC-2172

NSC 2172

EINECS 211-071-4

UNII-UA4Z3QT98A

Heptane nitrile

Heptyl nitrile

AI3-28301

n-Hexyl cyanide

1-heptanenitrile

SCHEMBL130441

DTXCID401599

CHEMBL1231869

SDAXRHHPNYTELL-UHFFFAOYSA-

NSC2172

Tox21_200526

MFCD00039503

AKOS009157585

MCULE-7652123212

NCGC00248675-01

NCGC00258080-01

BS-42428

CAS-629-08-3

DB-054326

H0883

NS00022578

EN300-99427

D90969

J-802032

Q27290979

InChI=1/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3

CNX

HEXANENITRILE

628-73-9

Capronitrile

Hexanonitrile

n-Capronitrile

Pentyl cyanide

1-Cyanopentane

Tricapronile

n-Amyl cyanide

n-hexanenitrile

Hexane nitrile

Nitriles, C6-12

n-Pentyl cyanide

NSC 1076

68002-67-5

S1XKP5498P

NSC-1076

Hexanenitrile--d3

EINECS 211-052-0

BRN 1633601

UNII-S1XKP5498P

AI3-28396

Amyl Cyanide

n-Caproic nitrile

EINECS 268-081-7

Hexanenitrile, 98%

1219805-03-4

WLN: NC5

4-02-00-00930 (Beilstein Handbook Reference)

DTXSID0060858

NSC1076

CHEBI:229321

MFCD00001979

AKOS000158157

H0102

NS00035201

D90798

Q27288465

InChI=1/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H

SCHEMBL8435124

AKOS006356592

N-(2-Methylpropyl)acetamide

N-Isobutylacetamide

1540-94-9

N-(2-Methyl-2-propyl)ethanamide

N-Acetyl-2-methyl-1-propaneamine

Acetamide, N-isobutyl-

Acetamide, N-(2-methylpropyl)-

N-Isobutyl-Acetamide

03RBP530AC

NSC-156655

UNII-03RBP530AC

Acetylisobutylamine

NSC156655

SCHEMBL91326

N-(2-Methylpropyl)-Acetamide

N-(2-Methyl-propyl)ethanamide

DTXSID90165516

CHEBI:179639

VDQMVRFHUYAKJL-UHFFFAOYSA-N

N-(2-Methylpropyl)acetamide, 9CI

AKOS003855864

NSC 156655

Q27247578

N-(3-Methylbutyl)acetamide

N-Isopentylacetamide

13434-12-3

Acetamide, N-(3-methylbutyl)-

n-(iso-pentyl)acetamide

B07X8XNE8T

NSC-156656

UNII-B07X8XNE8T

NSC 156656

NSC156656

n-3-methylbutylacetamide

AI3-35871

N-(3Metylbutiyl) Acetamide

SCHEMBL800814

DTXSID10158662

CHEBI:166455

MFCD00043542

AKOS003799421

CS-0334392

Q27274221

5308-63-4

2-Acetyl-5-methylpyridine

1-(5-METHYLPYRIDIN-2-YL)ETHANONE

1-(5-methyl-pyridin-2-yl)-ethanone

1-(5-METHYLPYRIDIN-2-YL)ETHAN-1-ONE

MFCD06658292

1-(5-methyl-2-pyridyl)ethanone

ETHANONE, 1-(5-METHYL-2-PYRIDINYL)-

2-Acetyl-5-picoline

1-(5-METHYL-PYRIDIN-2-YL)ETHANONE

2-acetyl-5-methyl-pyridine

SCHEMBL827893

DTXSID90517258

CHEBI:179147

AMY28417

BCP21065

1-(5-Methylpyridin-2-yl)-ethanone

AB1019

1-(5-methyl-2-pyridyl)-1-ethanone

AKOS006295634

AB25779

Methyl 5-methyl-2-pyridyl ketone, 8CI

1-(5-Methyl-2-pyridinyl)ethanone, 9CI

DS-16613

SY005233

CS-0005383

A15627

EN300-306647

J-400233

3-PENTANONE

Pentan-3-one

Diethyl ketone

96-22-0

Dimethylacetone

Methacetone

Propione

Ethyl ketone

Metacetone

Diethylcetone

DIETHYLKETONE

Pentanone-3

Ethyl propionyl

NSC 8653

9SLZ98M9NK

DEK

DTXSID6021820

CHEBI:87755

NSC-8653

Diethylcetone [French]

HSDB 5301

EINECS 202-490-3

UN1156

UNII-9SLZ98M9NK

diethylketon

di-ethyl ketone

AI3-24337

3-pentanon

3-penta none

ethyl ethyl ketone

1-pentan-3-one

1,3-Dimethylacetone

3-Pentanone, >=99%

EC 202-490-3

DIETHYL KETONE [MI]

3-PENTANONE [HSDB]

CHEMBL45315

DTXCID301820

WLN: 2V2

(C2H5)2CO

3-Pentanone, analytical standard

3-Pentanone, for HPLC, 96%

NSC8653

AMY11060

Tox21_200677

BBL027755

LMFA12000001

MFCD00009320

STL281851

AKOS000119714

MCULE-8236549739

UN 1156

CAS-96-22-0

3-Pentanone, ReagentPlus(R), >=99%

NCGC00166068-01

NCGC00166068-02

NCGC00258231-01

3-Pentanone 100 microg/mL in Acetonitrile

NS00005016

P0061

EN300-20108

Diethyl ketone [UN1156] [Flammable liquid]

3-Pentanone, ReagentPlus(R), >=99.0% (GC)

A845564

Q223112

F0001-2290

Z104476878

InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H

The Henry's Law constant for diethyl ketone is 5.0X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that diethyl ketone 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 19 hours(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 8.6 days(SRC). diethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Diethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 37.7 mm Hg(3).
Literature: (1) Sander R; Compilation of Henry's Law constants for Inorganic and Organic Species of Potential Importance in Environmental Chemistry. (ver. 3) (1999). Available at http://www.henrys-law.org as of Aug 30, 2007. (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. NY, NY: Hemisphere Pub Corp, (1989)

The Koc of diethyl ketone is estimated as 82(SRC), using a log Kow of 0.99(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl ketone is expected to have 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. 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: 17-28 (1983)

2,6-Dimethyl-2,5-heptadien-4-one

504-20-1

PHORONE

2,6-Dimethylhepta-2,5-dien-4-one

Diisopropylidene acetone

Foron

Diisobutenyl ketone

2,5-Heptadien-4-one, 2,6-dimethyl-

Phoron

s-Diisopropylidene acetone

sym-Diisopropylidene acetone

2,6-dimethyl-hepta-2,5-dien-4-one

NSC 38718

2,6-Dimethyl-2,5-heptadiene-4-one

8F20OEI0MV

DTXSID1021584

CHEBI:35572

MFCD00008901

NSC-38718

2,5-heptadien-4-one

Phoron [German]

diisopropylideneacetone

WLN: 1Y1&U1V1UY1&1

CCRIS 4350

EINECS 207-986-3

UNII-8F20OEI0MV

BRN 1699751

dimethylsuberate

AI3-00047

Diisobutenylketone

PHORONE [MI]

4-01-00-03564 (Beilstein Handbook Reference)

SCHEMBL157728

DTXCID101584

CHEMBL2766015

AMY13323

NSC38718

Tox21_201097

BBL100361

NSC403517

STL554155

AKOS015841777

CS-W018571

GS-4453

NSC-403517

NCGC00248921-01

NCGC00258649-01

2 pound not6-dimethyl-5-heptadien-4-one

CAS-504-20-1

SY026937

DB-116500

2,6-Dimethyl-2,5-heptadien-4-one, 95%

NS00022246

2,6-DIMETHYL-2,5-HEPTADIEEN-4-ONE

EN300-125149

F12420

A871568

Q612199

InChI=1/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H

3-Methyl-2-pentanone

565-61-7

3-METHYLPENTAN-2-ONE

2-Pentanone, 3-methyl-

Methyl sec-butyl ketone

sec-Butyl methyl ketone

Methyl 1-methylpropyl ketone

3-methyl-pentan-2-one

DTXSID4021634

(3R)-3-methylpentan-2-one

(3S)-3-methylpentan-2-one

EINECS 209-282-1

NSC 66492

methylethylacetone

MFCD00009336

sec-C4H9COCH3

EC 209-282-1

SCHEMBL93407

3-Methyl-2-pentanone, 99%

DTXCID801634

CHEMBL3182903

UIHCLUNTQKBZGK-UHFFFAOYSA-

CHEBI:195650

NSC66492

Tox21_200530

LMFA12000027

NSC-66492

AKOS009031605

NCGC00248679-01

NCGC00258084-01

AS-31209

CAS-565-61-7

DB-052938

M0388

NS00004347

EN300-19776

Q15720827

InChI=1/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3

2695-53-6

57968-72-6