3-cyanopyridine

Nicotinonitrile

100-54-9

3-PYRIDINECARBONITRILE

pyridine-3-carbonitrile

Nicotinic acid nitrile

3-Pyridinenitrile

3-Pyridylcarbonitrile

3-Azabenzonitrile

3-Cyjanopirydyna

Nitryl kwasu nikotynowego

NSC 17558

DTXSID1026665

CHEBI:86556

MFCD00006372

NSC-17558

X64V0K6260

DTXCID606665

3-Cyjanopirydyna [Polish]

CAS-100-54-9

HSDB 5335

3-Pyridinecarboxylic acid, nitrile

Nitryl kwasu nikotynowego [Polish]

EINECS 202-863-0

BRN 0107711

AI3-15766

UNII-X64V0K6260

3-cyano pyridine

3-Pyridyl cyanide

PncA Inhibitor, 5

Pyridine, 3-cyano-

bmse000622

EC 202-863-0

SCHEMBL28776

5-22-02-00115 (Beilstein Handbook Reference)

Nicotinamidase Inhibitor, 23

3-Pyridinecarbonitrile, 98%

CHEMBL3181972

BDBM92856

NSC17558

Tox21_201669

Tox21_300354

BBL037217

STK046164

3-PYRIDINECARBONITRILE [HSDB]

AKOS000119616

3-Pyridinecarbonitrile; Nicotinonitrile

AC-2424

AM81277

FG-0468

MCULE-9131126037

SB52234

NCGC00248004-01

NCGC00248004-02

NCGC00254450-01

NCGC00259218-01

DB-023674

CS-0003918

NS00008250

EN300-18318

P19604

AC-907/25014098

W-108955

Q18730591

Z57899719

F2108-0102

6C16C9E3-90DC-4565-9F55-F6CC5D13CC33

InChI=1/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5

The Henry's Law constant for 3-pyridinecarbonitrile is 2.74X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that 3-pyridinecarbonitrile is not expected to volatilize from water and moist soil surfaces(2). 3-Pyridinecarbonitrile is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.296 mm Hg(3).

The Koc of 3-pyridinecarbonitrile is estimated as 37(SRC), using a measured log Kow of 0.36(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-pyridinecarbonitrile is expected to have very high mobility in soil(SRC).

dibenzofuran

Dibenzo[b,d]furan

132-64-9

diphenylene oxide

Dibenzofurans

2,2'-Biphenylene oxide

2,2'-Biphenylylene oxide

Dibenzo(b,d)furan

dibenzofurane

(1,1'-Biphenyl)-2,2'-diyl oxide

[1,1'-Biphenyl]-2,2'-diyl oxide

DTXSID2021993

CHEBI:28145

8U54U639VI

NSC-1245

Dibenzol(b,d)furan

DTXCID801993

CAS-132-64-9

CCRIS 1436

HSDB 2163

NSC 1245

EINECS 205-071-3

UNII-8U54U639VI

AI3-00039

dibenzo[bd]furan

Dibenzofuran, 98%

[1,2'-diyl oxide

DIBENZOFURAN [MI]

bmse000548

DIBENZOFURAN [HSDB]

SCHEMBL8207

CHEMBL277497

Dibenzofuran, analytical standard

NSC1245

DIBENZO (b,d) FURAN (purity)

Tox21_202116

Tox21_300052

BDBM50408362

MFCD00004968

STL185574

AKOS000120971

CS-W017802

HY-W017086

MCULE-9430669072

PS-5378

NCGC00164102-01

NCGC00164102-02

NCGC00164102-03

NCGC00254221-01

NCGC00259665-01

AC-19766

Dibenzofuran D8 10 mug/mL in Cyclohexane

DB-042123

D0147

NS00010742

EN300-18022

C07729

Q419513

Q-101160

Z57127512

Dibenzo[b,d]furan, BCR(R) certified Reference Material

8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene

InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8

1IT

The Henry's Law constant for dibenzofuran is estimated as 2.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00248 mm Hg(1), and water solubility, 3.1 mg/l(2). This Henry's Law constant indicates that dibenzofuran is expected to volatilize from water surfaces(3). 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)(3) is estimated as 5 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)(3) is estimated as 7 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 82 days if adsorption is considered(4). Dibenzofuran's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from moist soil surfaces is expected to be attenuated by adsorption to soil(SRC). Dibenzofuran is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).

The Koc of dibenzofuran is estimated as 4,200(SRC), using a log Kow of 4.12(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dibenzofuran is expected to have slight mobility in soil(SRC). Monitoring of dibenzofuran in contaminated groundwater beneath an abandoned creosote facility in Conroe, TX has suggested that leaching of dibenzofuran may be much more important than predicted from estimation methods, although soil from this location had a very low organic content and other co-contaminants present(4). Sorption of creosote compounds (including dibenzofuran) were measured on natural clayey till soil column(5); a Kd of 4.31 l/kg was measured for dibenzofuran (in the presence of other creosote compounds)(5).

indole

1H-Indole

120-72-9

2,3-Benzopyrrole

Indol

1-Benzazole

Ketole

1-Azaindene

Benzopyrrole

2,3-Benzopyrole

Indole (natural)

Caswell No. 498B

1-Benzo(b)pyrrole

Indol [German]

FEMA No. 2593

CCRIS 4421

HSDB 599

EPA Pesticide Chemical Code 025000

1H-Benzo[b]pyrrole

Benzo[b]pyrrole

AI3-01540

NSC 1964

EINECS 204-420-7

MFCD00005607

UNII-8724FJW4M5

INDOLUM

DTXSID0020737

CHEBI:16881

8724FJW4M5

NSC-1964

CHEMBL15844

DTXCID40737

Indole 100 microg/mL in Acetonitrile

NCGC00167539-01

INDOLE (USP-RS)

INDOLE [USP-RS]

IND

CAS-120-72-9

benzazole

mono-indole

1-H-indole

Indole, 7

Indole (8CI)

Indole (white flake)

Indole, 98%

1H-Indole (9CI)

INDOLUM [HPUS]

INDOLE [FHFI]

INDOLE [HSDB]

INDOLE [FCC]

INDOLE [MI]

Indole, >=99%

SCHEMBL698

bmse000097

Indole, analytical standard

Indole, >=99%, FG

WLN: T56 BMJ

BIDD:GT0304

SCHEMBL940818

INDOLE BENZO-PYRROLE

SCHEMBL1921769

SCHEMBL9559244

AMY3411

NSC1964

185l

BCP27232

STR01201

Tox21_112536

Tox21_201677

Tox21_302937

BBL011739

BDBM50094702

s6358

STL163380

Indole, 3-Benzopyrrole, 1-benzazole

AKOS000119629

Tox21_112536_1

AT36838

CG-0501

CS-W001132

DB04532

HY-W001132

Indole, puriss., >=98.5% (GC)

MCULE-9442796928

NCGC00167539-02

NCGC00167539-03

NCGC00256348-01

NCGC00259226-01

BP-10563

DS-011308

I0021

NS00010849

EN300-18285

C00463

I-0800

I-0810

Q319541

SR-01000944736

SR-01000944736-1

Z57833933

F2190-0647

InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9

82451-55-6

The Henry's Law constant for indole is estimated as 5.3X10-7 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.0122 mm Hg(1), and water solubility, 3560 mg/l(2). This value indicates that indole will be essentially nonvolatile from water surfaces(3,SRC). Indole's Henry's Law constant(1,2,SRC) indicates that volatilization from moist soil surfaces should not occur(SRC).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Volume 3. C8 to C28 Compounds. HOuston,TX: Gulf Publ Co (1994) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Ver 5. College of Pharmacy, University of Arizona - Tucson, AZ. PC Ver (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

A Koc of 187 was measured for indole on a synthetic soil consisting of 88-90% sand, 10% clay and 0-2% humic acid(1). The Koc of indole is estimated as approximately 350(SRC), using a measured log Kow of 2.14(2) and a regression-derived equation(3,SRC). According to a recommended classification scheme(4), these Koc values suggest that indole has moderate mobility in soil(SRC).
Literature: (1) Rebhun M et al; Water Res 26: 79-84 (1992) (2) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Amer Chem Soc, Washington, DC. p. 6 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (4) Swann RL et al; Res Rev 85: 23 (1983)

indole-3-acetic acid

87-51-4

indoleacetic acid

3-Indoleacetic acid

Heteroauxin

1H-Indole-3-acetic acid

1H-indol-3-ylacetic acid

2-(1H-Indol-3-yl)acetic acid

Rhizopin

auxin

Rhizopon A

Indol-3-ylacetic acid

3-Iaa

3-(Carboxymethyl)indole

3-Indolylacetic acid

Hexteroauxin

beta-Indoleacetic acid

IAA

indoleacetate

Acetic acid, indolyl-

Heteroauxinhexteroauxiniaa

Indolylacetic acid

beta-Indolylacetic acid

Indolyl-3-acetic acid

omega-Skatole carboxylic acid

Kyselina 3-indolyloctova

(1H-Indol-3-yl)-acetic acid

Indoleacetic acid (VAN)

(indol-3-yl)acetate

CCRIS 1014

EPA Pesticide Chemical Code 128915

Kyselina 3-indolyloctova [Czech]

(indol-3-yl)acetic acid

AI3-24131

2-(3-Indolyl)acetic acid

NSC 3787

2-(indol-3-yl)ethanoic acid

3-Indolylessigsaeure

.alpha.-IAA

.beta.-IAA

3-indole acetic acid

3-Indole-Acetic acid

.beta.-Indoleacetic acid

MFCD00005636

.beta.-Indolylacetic acid

.beta.-Indole-3-acetic acid

CHEMBL82411

(1H-Indol-3-yl)acetic acid

.omega.-Skatole carboxylic acid

DTXSID5020738

CHEBI:16411

.alpha.-Indol-3-yl-acetic acid

Indole--d5-3-acetic--d2 Acid

NSC3787

6U1S09C61L

NSC-3787

3-indoleacetate

DTXCID70738

(1H-indol-3-yl)acetate

CAS-87-51-4

IES

SMR000471855

Indole 3-acetic acid

3-indolyl acetic acid

EINECS 201-748-2

Indolylacetate

b-Indoleacetate

UNII-6U1S09C61L

b-Indolylacetate

3-Indolylacetate

alpha-IAA

beta-Indoleacetate

beta-IAA

1H-Indole-3-acetic acid (9CI)

beta-Indolylacetate

Indol-3-ylacetate

Indolyl-3-acetate

Skatole carboxylate

b-Indoleacetic acid

IAC

b-Indolylacetic acid

Indole-3acetic acid

3-indolyl-acetic acid

1H-Indole-3-acetate

Skatole carboxylic acid

Acid, 6

2-(3-Indolyl)acetate

Indole-3-acetic-t acid

1H-indol-3-acetic acid

Maybridge1_006755

1H-Indole 3-acetic acid

beta-Indole-3-acetic acid

bmse000177

(1H-Indol-3-yl)-acetate

3-Indoleacetic acid, 98%

3-Indoleacetic acid, 99%

Oprea1_602123

SCHEMBL26344

MLS001066408

MLS001331664

MLS001332399

MLS001332400

3-Indolylmethylcarboxylic acid

alpha-Indol-3-yl-acetic acid

Indole-3-acetic acid (8CI)

INDOLEACETIC ACID [MI]

WLN: T56 BMJ D1VQ

[3H]-IAA

3-Indolyl acetic acid 100 microg/mL in Acetonitrile

HMS560L01

AMY2736

INDOLE ACETIC ACID [INCI]

2-(1H-indol-3-yl)-acetic acid

HMS2269G24

HMS3604M04

BCP26623

Tox21_202284

Tox21_302731

BBL009348

BDBM50201883

CCG-51070

s4799

STK397461

AKOS000119890

1H-Indole-3-acetic-a-t acid (9CI)

AC-2974

CG-0522

CS-6287

DB07950

MCULE-9266736782

SDCCGMLS-0066204.P001

3-Indoleacetic acid, >=98.0% (T)

NCGC00247039-01

NCGC00247039-02

NCGC00256391-01

NCGC00259833-01

HY-18569

SY003464

DB-011566

EU-0099905

I0022

NS00014849

3-Indoleacetic acid, technical, >=95% (T)

EN300-17303

C00954

I-1000

I-1040

Q411208

SR-01000596909

2-(1H-indol-3-yl)acetic acid;Indole-3-acetic acid

3-Indoleacetic acid, SAJ special grade, >=98.5%

IS_INDOLE-2,4,5,6,7-D5-3-ACETIC ACID

SR-01000596909-1

SR-01000596909-2

Z56913182

2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole

3-Indoleacetic acid, PESTANAL(R), analytical standard

F0722-8837

0A0524AE-D755-4E91-A73A-2AD867FE676A

3-Indoleacetic acid, plant cell culture tested, crystalline

InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13

nicotinic acid

niacin

59-67-6

Pyridine-3-carboxylic acid

3-pyridinecarboxylic acid

vitamin B3

3-Carboxypyridine

wampocap

Niaspan

Acidum nicotinicum

nicolar

Apelagrin

Pellagrin

Akotin

Daskil

Efacin

Pelonin

Linic

nicamin

nicobid

nicocap

Enduracin

Nicodelmine

Niconacid

Nicotinipca

Pellagramin

Direktan

Nicacid

Nicangin

Peviton

Bionic

Diacin

Nicyl

Nyclin

Niac

Vitaplex N

Davitamon PP

Nico-Span

Tega-Span

Nicocidin

Nicocrisina

Niconazid

Nicoside

Nicotamin

Nicotene

Nicovasan

Nicovasen

Nipellen

SK-Niacin

Naotin

Niacor

Nicodon

Niconat

Nicosan 3

Nicosyl

Nicotil

Tinic

3-Carboxylpyridine

Nicotine acid

nicotinate

Slo-niacin

NICO

3-Picolinic acid

Nicotinsaure

Nico-400

Acide nicotinique

Pyridine-beta-carboxylic acid

Nicagin

anti-Pellagra vitamin

Caswell No. 598

PP Factor

Kyselina nikotinova

P.P. factor

Pellagra preventive factor

S115

Nicotinsaure [German]

Acido nicotinico

3-Pyridylcarboxylic acid

m-Pyridinecarboxylic acid

Kyselina nikotinova [Czech]

MFCD00006391

niacine

CCRIS 1902

Pyridine-carboxylique-3

EPA Pesticide Chemical Code 056701

Acide nicotinique [INN-French]

Acido nicotinico [INN-Spanish]

Acidum nicotinicum [INN-Latin]

HSDB 3134

Pyridine-carboxylique-3 [French]

AI3-18994

Pyridinecarboxylic acid, 3-

Niacin [USP]

SR 4390

BRN 0109591

Niacin extended release

Nicotinic acid [INN]

NAH

CHEMBL573

beta-pyridinecarboxylic acid

NSC-169454

MLS000069603

Pyridine-.beta.-carboxylic acid

DTXSID1020932

CHEBI:15940

Niacin (USP)

2679MF687A

P.P. factor-pellagra preventive factor

CAS-59-67-6

NCGC00016268-02

SMR000059024

[5, 6-3H]-niacin

DTXCID10932

Niacin [USAN]

Nicotinicacid

NIO

Niacin (nicotinic acid)

SR-01000722017

EINECS 200-441-0

NIASPAN TITRATION STARTER PACK

NSC 169454

pellagra

Nikotinsaeure

Ncotnc acd

UNII-2679MF687A

preventative factor

antipellagra vitamin

Niaspan (TN)

3-Pyridylcarboxylate

3PyrCOOH

[3H]nicotinic acid

Niacor (TN)

Nicotinic Acid,(S)

[3H]-Nicotinic acid

Spectrum_001063

Nicotinic acid, Ph Eur

NIACIN [VANDF]

NIACIN [HSDB]

NIACIN [INCI]

Nicotinic acid (Niacin)

5-pyridinecarboxylic acid

NIACIN [FCC]

NIACIN [USP-RS]

Opera_ID_1346

Prestwick0_000881

Prestwick1_000881

Prestwick2_000881

Prestwick3_000881

Pyridine-3-carbonic acid

Spectrum2_000006

Spectrum3_000515

Spectrum4_000965

Spectrum5_001287

VITAMIN B-3

3-Pyridyl carboxylic acid

Nicotinic acid-d3(major)

WLN: T6NJ CVQ

3-pyridine carboxylic acid

bmse000104

Nicotinic acid, >=98%

Nicotinic acid, USP grade

EC 200-441-0

SCHEMBL1433

NICOTINIC ACID [MI]

Oprea1_514398

VITAMIN B3 [VANDF]

BSPBio_000662

BSPBio_002069

KBioGR_001309

KBioSS_001543

NIACIN [ORANGE BOOK]

NICOTINIC ACID [JAN]

5-22-02-00057 (Beilstein Handbook Reference)

Nicotinic acid (Vitamin B3)

BIDD:GT0644

DivK1c_000695

Nicotinic acid (JP17/INN)

SIMCOR COMPONENT NIACIN

SPECTRUM1500430

.beta.-Pyridinecarboxylic acid

SPBio_000011

SPBio_002881

ADVICOR COMPONENT NIACIN

NIACIN [USP MONOGRAPH]

NICOTINIC ACID [VANDF]

BPBio1_000730

GTPL1588

GTPL1594

NICOTINIC ACID [MART.]

NICOTINIC ACID [WHO-DD]

NICOTINIC ACID [WHO-IP]

BDBM23515

HMS502C17

KBio1_000695

KBio2_001543

KBio2_004111

KBio2_006679

KBio3_001569

ABT-919

NIACIN COMPONENT OF SIMCOR

NICOTINIC ACID [EMA EPAR]

NINDS_000695

HMS1570B04

HMS1920P17

HMS2091H22

HMS2097B04

HMS2236A05

HMS3259K21

HMS3371E07

HMS3655K08

HMS3714B04

NIACIN COMPONENT OF ADVICOR

Pharmakon1600-01500430

Nicotinic acid, analytical standard

BCP16301

HY-B0143

STR00112

Tox21_110337

Tox21_201420

Tox21_302904

AC8691

BBL037343

CCG-38340

NICOTINIC ACID [EP IMPURITY]

Nicotinic acid, for synthesis, 99%

NSC169454

NSC757241

s1744

STK301803

NICOTINIC ACID [EP MONOGRAPH]

AKOS000118980

Nicotinic acid, >=99.5% (HPLC)

Tox21_110337_1

AM81316

CS-1946

DB00627

MCULE-3788394698

NC00524

Nicotinic Acid 1.0 mg/ml in Methanol

NSC-757241

PS-4255

SDCCGMLS-0066610.P001

IDI1_000695

NCGC00016268-01

NCGC00016268-03

NCGC00016268-04

NCGC00016268-05

NCGC00016268-08

NCGC00016268-09

NCGC00016268-13

NCGC00094734-01

NCGC00094734-02

NCGC00256537-01

NCGC00258971-01

AC-22484

ACIDUM NICOTINICUM [WHO-IP LATIN]

BP-21419

NCI60_001041

Nicotinic acid, NIST(R) SRM(R) 148

Nicotinic acid, plant cell culture tested

SY011111

SBI-0051456.P003

DB-007765

Nicotinic Acid [Matrix for MALDI-TOF/MS]

AB00052050

N0082

N1103

Nicotinic acid 10 microg/mL in Acetonitrile

Nicotinic acid, purum, >=99.0% (HPLC)

NS00003500

SW197229-3

EN300-16693

C00253

D00049

Nicotinic acid, SAJ special grade, >=99.5%

AB00052050-13

AB00052050_14

AB00052050_15

Nicotinic acid, meets USP testing specifications

AC-907/25014105

L001199

METHYL NICOTINATE IMPURITY A [EP IMPURITY]

Nicotinic acid, Vetec(TM) reagent grade, >=98%

Q134658

J-523605

SR-01000722017-2

SR-01000722017-3

SR-01000722017-4

Z56755709

3DDB011E-F3A6-45B6-A2D2-77B2A6E8936E

F2191-0082

Niacin, United States Pharmacopeia (USP) Reference Standard

Nicotinic acid, certified reference material, TraceCERT(R)

Nicotinic acid, European Pharmacopoeia (EP) Reference Standard

Nicotinic acid, matrix substance for MALDI-MS, >=99.5% (HPLC)

InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9

Nicotinic acid, for inorganic trace analysis, >=99.999% (metals basis)

Niacin (Nicotinic Acid), Pharmaceutical Secondary Standard; Certified Reference Material

101113-41-1

Nicotinic acid, BioReagent, suitable for cell culture, suitable for insect cell culture, suitable for plant cell culture, >=98%

A pKa of 4.75(1) indicates nicotinic acid will exist almost entirely 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(SRC). Nicotinic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a an estimated vapor pressure of 9.4X10-5 mm Hg(SRC), determined from a fragment constant method(2).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of nicotinic acid can be estimated to be 8(SRC). According to a classification scheme(2), this estimated Koc value suggests that nicotinic acid is expected to have very high mobility in soil. The pKa of nicotinic acid is 4.75(3), indicating that this compound will exist almost entirely 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).

PYRIDINE

Azabenzene

110-86-1

Azine

Pyridin

Piridina

Pirydyna

Pyridin [German]

Pirydyna [Polish]

Piridina [Italian]

RCRA waste number U196

Caswell No. 717

NCI-C55301

FEMA No. 2966

FEMA Number 2966

CCRIS 2926

HSDB 118

CHEBI:16227

CP 32

EINECS 203-809-9

NSC 406123

pyridine-ring

pyridine-

UNII-NH9L3PP67S

NH9L3PP67S

EPA Pesticide Chemical Code 069202

DTXSID9021924

AI3-01240

NSC-141574

NSC-406123

PYRIDINE (15N)

DTXCID101924

EC 203-809-9

MFCD00011732

PYRIDINE (IARC)

PYRIDINE [IARC]

Pyridine [UN1282] [Flammable liquid]

PYRIDINE (USP-RS)

PYRIDINE [USP-RS]

Pyridine, ACS reagent, >=99.0%

Pyridine, ReagentPlus(R), >=99%

UN1282

CEFTAZIDIME IMPURITY F (EP IMPURITY)

CEFTAZIDIME IMPURITY F [EP IMPURITY]

RCRA waste no. U196

CEFTAZIDIME PENTAHYDRATE IMPURITY F (EP IMPURITY)

CEFTAZIDIME PENTAHYDRATE IMPURITY F [EP IMPURITY]

hydropyridine

N-pyridine

pyridine fraction

3-pyridinyl

[pyridine]

2-pyridine

4-pyridine

Pyridine II

Pyridine III

3-Pyridine

Pyridine anhydrous

Azabenzene; Azine

0PY

Pyridine, anhydrous

Pyridine, 99%

Pyridine, ACS reagent

Pyridine, >=99%

Pyridine, HPLC Grade

PYRIDINE [FHFI]

PYRIDINE [HSDB]

PYRIDINE [MI]

bmse000432

Epitope ID:140099

WLN: T6NJ

Pyridine, p.a., 99%

NCIOpen2_002809

NCIOpen2_007786

NCIOpen2_007866

NCIOpen2_007986

NCIOpen2_007999

Pesticide Code: 069202

Pyridine, LR, >=99%

Pyridine, analytical standard

Pyridine, anhydrous, 99.8%

CHEMBL266158

Pyridine, AR, >=99.5%

Pyridine, >=99.5% (GC)

DTXSID101318102

BCP23599

Pyridine, for HPLC, >=99.9%

Tox21_200960

BDBM50176909

NSC141574

NSC406123

Pyridine, anhydrous Water 30ppm Max

STL264195

AKOS000120998

MCULE-4028120692

Pyridine, biotech. grade, >=99.9%

UN 1282

NCGC00091476-01

NCGC00091476-02

NCGC00258513-01

Pyridine, SAJ first grade, >=99.0%

BP-13452

CAS-110-86-1

NCI60_006101

Pyridine, JIS special grade, >=99.5%

Pyridine, p.a., ACS reagent, 99.0%

Pyridine, purification grade, >=99.75%

DB-220141

Pyridine, spectrophotometric grade, >=99%

NS00010113

Q0034

EN300-17264

C00747

A802257

Q210385

J-002482

InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5

F0001-0227

Pyridine, puriss. p.a., ACS reagent, >=99.8% (GC)

Pyridine, suitable for hydroxyl value determination, >=99.5%

Pyridine; Azabenzene; Azine; CP 32; NSC 141574; NSC 406123

Pyridine, Pharmaceutical Secondary Standard; Certified Reference Material

Pyridine, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.5% (GC)

0.25 M Hyacinth BMT solution BMT in anhydrous Acetonitrile, NC-0102 emp Biotech GmbH

Pyridine, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.8% (GC)

Pyridine, puriss., Reag. Ph. Eur., dried, >=99.5% (GC), <=0.0075% water

Solvent Mix Pyridine in ACN (V / V = 60 : 40) NC-0612, GL45 thread emp Biotech GmbH

29761-81-7

Pyridine for oligo synthesis (Water content < 30 ppm) NC-0604 2.5 L GL45 thread emp Biotech GmbH

The Henry's Law constant for pyridine is 1.1X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that pyridine 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 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 25 days(SRC). Pyridine's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Pyridine is a weak base with a pKa of 5.23(3), 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). The potential for volatilization of pyridine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 20.8 mm Hg(4).
Literature: (1) Hawthorne SB et al; Environ Sci Technol 19: 922-927 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Bintein S, Devillers J; Chemosphere 28: 1171-88 (1994) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989)

The Koc of pyridine is estimated as 50(SRC), using a measured log Kow of 0.65(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pyridine is expected to have high mobility in soil. The pKa of pyridine is 5.23(4), which indicates that pyridine will partially exist in the protonated form under acidic conditions and cations adsorb more strongly to soil surfaces than neutral molecules(SRC). The adsorption of pyridine to a basic subsoil (pH 8.15, 0.58% organic carbon) is negligible, while in an acidic subsoil (pH 4.85, O.24% organic carbon), the Freundlich adsorption constant was measured to be 5.78 and the slope 0.679(5). This suggests a cationic adsorption mechanism as pyridine is predominantly in its protonated form. Pyridine adsorbs to colloidal particles of sodium montmorillonite and kaolinite, a process which is attributed to cation exchange and is a function of pH(5). Adsorption is at a minimum at pH 1 and 11 and reaches a maximum at pH 4 for the montmorillonite and pH 5.5 for the kaolinite where the adsorption constants are 60 and 10, respectively(6).
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. 12 (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) Bintein S, Devillers J; Chemosphere 28: 1171-88 (1994) (5) Felice LJ et al; Quinoline Partitioning In Substance Materials Adsorption, Desorption, and Solute Competition PNL-SA-11728 Battelle Pacific NW Labs pp. 19 (1984) (6) Baker RA, Lu MD; Water Res 5: 839-48 (1971)

822-55-9

IMIDAZOLE-4-METHANOL

(1H-Imidazol-4-yl)methanol

4-(Hydroxymethyl)imidazole

1H-Imidazole-4-methanol

1H-imidazol-5-ylmethanol

1H-Imidazol-4-ylmethanol

(3H-Imidazol-4-yl)-methanol

1H-Imidazole-5-methanol

(1H-imidazol-4-yl)-methanol

4-imidazolemethanol

4(5)-(Hydroxymethyl)imidazole

4(5)-Hydroxymethylimidazole

4-HYDROXYMETHYLIMIDAZOLE

(1H-imidazol-5-yl)methanol

CHEBI:28182

QD0132T507

1H-Imidazol-4-ylmethanol; 4-(Hydroxymethyl)imidazole; 4-Imidazolylmethanol; 4-Methylol-1H-imidazole

NSC-39016

4-hydroxymethyl imidazole hydrochloride

UNII-QD0132T507

MZ0

4-imidazole methanol

5-hydroxymethylimidazole

4-hydroxymethyl imidazole

4-Methylol-1H-imidazole

Lopac-H-1877

5-(hydroxymethyl)imidazole

4-IMIDAZOLYLMETHANOL

C05562

1H-imidazol-4-yl-methanol

Lopac0_000603

1H-Imidazol-4-ylmethanol #

(1H-Imidazol-4-yl)methanol,

4-(hydroxymethyl)-1H-imidazole

CHEMBL1397797

DTXSID40231619

IMIDAZOLE-4(OR 5)-METHANOL

MFCD00266718

AKOS005258761

AKOS015951052

4(5)-(Hydroxymethyl)imidazole, 97%

CCG-204692

MCULE-7372960664

PB24669

SDCCGSBI-0050585.P002

NCGC00015502-01

NCGC00015502-02

NCGC00015502-03

NCGC00015502-04

NCGC00015502-05

NCGC00093363-02

AC-23132

AM804377

AS-58725

PD034373

DB-032007

AM20090479

CS-0008531

EN300-50616

W10530

AB-131/25126047

Q-101887

Q-103115

Q27103551

Z234898057

barbital

Barbitone

Veronal

5,5-Diethylbarbituric acid

57-44-3

Ethylbarbital

Diemal

Diethylmalonylurea

DEBA

Vesperal

Malonal

Uronal

Diethylbarbitone

Dormonal

Hypnogene

Veroletten

Verolettin

Sedeval

Diethylbarbituric acid

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-

5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Barbituric acid, 5,5-diethyl-

Kyselina 5,5-diethylbarbiturova

5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione

diethylmalonyl urea

NSC 31352

CHEBI:31252

5,5-diethyl-1,3-diazinane-2,4,6-trione

NSC-31352

5WZ53ENE2P

Barbitonum

Diemalum

DTXSID5022643

Barbital (VAN)

Barbitale [DCIT]

NCGC00159419-02

NCGC00159419-04

Barbitale

Barbitalum

Barbitalum [INN-Latin]

DTXCID802643

Diethyl-barbituric acid

CAS-57-44-3

Barbital (TN)

CCRIS 7420

Kyselina 5,5-diethylbarbiturova [Czech]

EINECS 200-331-2

UNII-5WZ53ENE2P

BRN 0163999

AI3-02727

Barbital [INN:BAN:JAN:NF]

DEA No. 2145

BARBITAL [INN]

BARBITAL [JAN]

BARBITAL [MI]

BARBITAL [VANDF]

Barbital (JP17/INN)

BARBITAL [MART.]

BARBITAL [WHO-DD]

CHEMBL444

Epitope ID:117124

Barbituric acid,5-diethyl-

Oprea1_012884

Oprea1_497227

SCHEMBL43818

5-24-09-00137 (Beilstein Handbook Reference)

Barbital, 1mg/ml in Methanol

BARBITAL [EP IMPURITY]

BARBITAL [EP MONOGRAPH]

Barbital 0.1 mg/ml in Methanol

Barbital 1.0 mg/ml in Methanol

Pharmakon1600-01900040

WLN: T6VMVMV FHJ F2 F2

NSC31352

Tox21_111650

NSC759567

AKOS015903028

Barbital (1.0mg/ml in Acetonitrile)

Tox21_111650_1

Barbital, BioXtra, >=99.0% (T)

CCG-214014

DB01483

MCULE-2107172999

NSC-759567

5,5-Diethyl-pyrimidine-2,4,6-trione

NCGC00159419-03

SBI-0207064.P001

NS00003391

D01740

AB00443731_03

2,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-

Q412409

SR-01000872752

SR-01000872752-1

W-105467

BRD-K83359602-001-01-5

Barbital, European Pharmacopoeia (EP) Reference Standard

InChI=1/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13

dibenzothiophene

132-65-0

Diphenylene sulfide

Dibenzo[b,d]thiophene

9-Thiafluorene

alpha-Thiafluorene

2,2'-Biphenylylene sulfide

Dibenzothiophene [USAN]

Dibenzo(b,d)thiophene

[1,1'-Biphenyl]-2,2'-diyl sulfide

.alpha.-Thiafluorene

NSC-2843

MFCD00004969

(1,1'-Biphenyl)-2,2'-diyl sulfide

Z3D4AJ1R48

DTXSID0047741

CHEBI:23681

NCGC00094646-01

Dibenzothiophene (USAN)

Dibenzothiophene 10 microg/mL in Acetonitrile

DTXCID0027725

C12H8S

Dibenzothiophene, analytical standard

CAS-132-65-0

CCRIS 5307

HSDB 7409

NSC 2843

EINECS 205-072-9

UNII-Z3D4AJ1R48

Dibenzthiophene

AI3-00043

Dibenzo[b]thiophene

Dibenzothiophene-Sulfur

Spectrum_000926

[1,2'-diyl sulfide

Dibenzothiophene, 98%

Spectrum2_001011

Spectrum3_000383

Spectrum4_000504

Spectrum5_000863

Dibenzothiophene, >=99%

SCHEMBL13294

BSPBio_002165

KBioGR_001047

KBioSS_001406

BIDD:GT0331

DivK1c_000393

SPECTRUM1500235

SPBio_001161

DIBENZOTHIOPHENE [HSDB]

DIBENZOTHIOPHENE [IARC]

DIBENZOTHIOPHENE [INCI]

CHEMBL219828

HMS501D15

KBio1_000393

KBio2_001406

KBio2_003974

KBio2_006542

KBio3_001385

NSC2843

NINDS_000393

HMS1920E12

HMS2091K22

HMS3652N11

Pharmakon1600-01500235

HY-B0973

Tox21_111308

Tox21_303415

CCG-40229

NSC756732

s4205

STK367232

AKOS000278427

Tox21_111308_1

AC-1025

CS-4462

FD14022

MCULE-2582244078

NSC-756732

SB66387

IDI1_000393

NCGC00094646-02

NCGC00094646-03

NCGC00094646-04

NCGC00257449-01

AS-12976

SBI-0051339.P003

DB-042124

AM20050251

D0148

NS00003432

SW219819-1

EN300-20188

C20125

D03777

AB00051965_02

AB00051965_03

A936927

Dibenzothiophene, purified by sublimation, >=99%

Q544767

SR-05000002089

Q-101161

SR-05000002089-1

Z104477204

8-thiatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene

InChI=1/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8

83R

The Henry's Law constant for dibenzothiophene is estimated as 3.4X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 2.05X10-4 mm Hg(1), and water solubility, 1.47 mg/L(2). This Henry's Law constant indicates that dibenzothiophene is expected to volatilize from water surfaces(3). However, volatilization from water surfaces is expected to be severely attenuated by adsorption to suspended solids and sediment in the water column(SRC). 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)(3) is estimated as 24 hours when adsorption is neglected(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 16 days when neglecting adsorption(SRC). The volatilization half-life from a model pond is about 217 days when adsorption is considered(4). Dibenzothiophene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur, but adsorption may attenuate this process(SRC). Dibenzothiophene is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).

The Koc of dibenzothiophene was measured in 14 soil and sediment samples collected from the Ohio, Missouri, Mississippi, and Illinois Rivers and their watersheds(1). The adsorption isotherms were determined to be linear over the entire concentration range and adsorption was shown to be strongly correlated with the percentage of organic carbon in the soil and sediment. The Koc values ranged from 5,273 to 18,937 with an average value of 11,120(1). Koc values in the range of 11,584 to 20,535 were calculated for dibenzothiophene from adsorption isotherms using marine sediment obtained from the South China Sea(2). According to a classification scheme(3), these Koc values suggest that dibenzothiophene is expected to be immobile in soil(SRC).

methenamine

Hexamethylenetetramine

100-97-0

Hexamine

Urotropine

Aminoform

Hexamethylenamine

Urotropin

1,3,5,7-Tetraazaadamantane

HMTA

Hexamethylene tetramine

Methenamin

Uritone

Hexamethylenetetraamine

Formamine

Aminoformaldehyde

Ammoform

Ammonioformaldehyde

Antihydral

Cystamin

Cystogen

Duirexol

Hexaform

Metramine

Resotropin

Uratrine

Urodeine

Xametrin

Formin

Heterin

Uramin

Preparation AF

Hexamethyleneamine

Hexilmethylenamine

Hexa-Flo-Pulver

Ekagom H

methenaminum

Hexaloids

Hexaminum

Metenamina

Aceto HMT

Herax UTS

Hexasan

Hexamethylentetramin

Nocceler H

Sanceler H

Formin (heterocycle)

Hexamine (heterocycle)

Vulkacit H 30

Hexamethylentetraminum

Hexamethylentetramine

S 4 (heterocycle)

Hexamethylenetetraminum

Esametilentetramina

1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane

Hexasan (VAN)

Methamin

Caswell No. 482

Uro-phosphate

Sanceler HT

Heksa K

Hexamine Superfine

Nocceler H-PO

Sanceler HT-PO

Hexa (vulcanization accelerator)

Hexa B

1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane

Cohedur H 30

Rhenogran HEXA 80

Thixon 715B

Metenamine

1,3,5,7-Tetraazatricyclo (3.3.1.1(3,7))decane

CCRIS 2297

HSDB 563

Vesaloin

Urisol

HMT

Metenamina [INN-Spanish]

Methenaminum [INN-Latin]

UNII-J50OIX95QV

EINECS 202-905-8

J50OIX95QV

NSC 26346

NSC-26346

Hexamine (JAN)

Hexamine (TN)

EL 10 (corrosion inhibitor)

EPA Pesticide Chemical Code 045501

NSC 403347

CHEBI:6824

INS NO.239

1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane

DTXSID6020692

AI3-09611

Hexamethylenetetramine (aliphatic)

INS-239

1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 37))decane

EL 10

Silver Methenamine

Methenamine (USP/INN)

Methenamine [USP:INN]

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

NSC-403347

DTXCID00692

H.M.T.

E-239

EC 202-905-8

Formin (the heterocyclic compound)

NSC26346

MFCD00006895

1,3,5,7-Tetraazatricyclo(3.3.1.1(sup 3,7))decane

NCGC00094719-04

E239

HEXAMINE [JAN]

Hexamine Silver

Methenamine (USP:INN)

Metenamina (INN-Spanish)

Methenaminum (INN-Latin)

Methenamine Silver

METHENAMINE (MART.)

METHENAMINE [MART.]

METHENAMINE (USP-RS)

METHENAMINE [USP-RS]

S 4

1,3,5,7-Tetraazatricyclo[3.3.1.1(3,7)]decane

1,3,5,7-tetraazatricyclo[3.3.1.1^{3,7}]decane

METHENAMINE (EP MONOGRAPH)

METHENAMINE [EP MONOGRAPH]

METHENAMINE (USP MONOGRAPH)

METHENAMINE [USP MONOGRAPH]

1,3,5,7-TETRAAZATRICYCLO(3.3.1.1 SUP(3,7))DECANE

Methenamine [USAN:INN]

CAS-100-97-0

Esametilentetramina [Italian]

Hexamethylentetramin [German]

SMR000857139

hexamethylene-tetramine

NSC403347

SR-05000002024

1,3,5,7-Tetraazatricyclo(3.3.1.1(3,7))decane

1,3,5,7-Tetraazatricyclo[3.3.1.1{3,7}]decane

UN1328

1,3,5,7-Tetraazatricyclo[3.3.1.1(sup 3,7)]decane

metheneamine

Hexamethylamine

Naphthamine

Methamine

Urasal

Carin

HEXAMETHYLENETETRAMINE, ACS

Prestwick_79

Vulkacit H30

1,3,5,7-Tetraazatricyclo[3.3.1.13,7 ]decane

Grasselerator 102

Cystex (Salt/Mix)

37604-90-3

hexam-ethylenetetraamine

hexamethylene tetraamine

Spectrum_000991

METHENAMINE [MI]

Spectrum2_000827

Spectrum3_001730

Spectrum4_000872

Spectrum5_001603

Methenamine (Mandelamine)

METHENAMINE [INN]

Formaldehyde-ammonia 6:4

[16]-Adamazane, INN

component of Uro-Phosphate

METHENAMINE [HSDB]

METHENAMINE [INCI]

Uro-phosphate (Salt/Mix)

1,5,7-Tetraazaadamantane

Hexamethylentetramin(german)

METHENAMINE [VANDF]

Hexamethylenetetramine, 8CI

1,3,5,7-tetraazatricyclo[3.3.1.1?,?]decane

SCHEMBL33785

BSPBio_003380

Hexamethylenetetramine, tech.

KBioGR_001563

KBioSS_001471

METHENAMINE [WHO-DD]

Hexamethylenetetramine [UN1328] [Flammable solid]

MLS001332361

MLS001332362

MLS002207085

DivK1c_000322

SPECTRUM1500394

SPBio_000753

Hexamethylenetetramine, BioXtra

CHEMBL1201270

GTPL10913

HMS501A04

KBio1_000322

KBio2_001471

KBio2_004039

KBio2_006607

KBio3_002600

J01XX05

NINDS_000322

HMS1920L13

HMS2091D08

HMS2233B09

HMS3371O15

HMS3652A05

HMS3715D17

Pharmakon1600-01500394

HY-B0514

STR00289

Tox21_113455

Tox21_201606

Tox21_300502

CCG-40289

Hexamethylenetetramine, LR, >=99%

NSC757101

s3139

STL197471

AKOS000120003

AKOS005169648

Tox21_113455_1

Urotropine 100 microg/mL in Methanol

DB06799

MCULE-8414341610

NSC-757101

IDI1_000322

NCGC00094719-01

NCGC00094719-02

NCGC00094719-03

NCGC00094719-05

NCGC00094719-06

NCGC00094719-08

NCGC00254463-01

NCGC00259155-01

SBI-0051439.P003

H0093

Hexamethylenetetramine, ReagentPlus(R), 99%

NS00006016

SW199604-2

EN300-16855

1,5,7-Tetraazatricyclo[3.3.1.13,7]decane

D00393

Hexamethylenetetramine, ACS reagent, >=99.0%

Q71969

AB00052038_08

AB00052038_09

1,3,5,7-tetraaza-tricyclo[3.3.1.13,7]decane

1,3,5,7-tetraazatricyclo-[3.3.1.13,7]decane

1,3,5,7-tetraazatricyclo[3,3,1,13,7]decane

1,3,5,7-tetraazatricyclo[3.3.1.1,3,7]decane

AE-641/00560026

WLN: T66 B6 A B-C 1B I BN DN FN HNTJ

Hexamethylenetetramine [UN1328] [Flammable solid]

Hexamethylenetetramine, analytical reference material

Hexamethylenetetramine, p.a., ACS reagent, 99.0%

Hexamethylenetetramine, SAJ first grade, >=98.5%

J-000293

J-521456

SR-05000002024-1

SR-05000002024-3

1,3,5,7-tetraaza-tricyclo[3.3.1.1*3,7*]decane

1,3,5,7-Tetraazatricyclo-[3.3.1.1(3,7)]decane

BRD-K30114692-001-10-0

Hexamethylenetetramine, JIS special grade, >=99.0%

F2173-0429

Z362014242

Methenamine, European Pharmacopoeia (EP) Reference Standard

Methenamine, United States Pharmacopeia (USP) Reference Standard

InChI=1/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H

Hexamethylenetetramine, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=99.0%

The Henry's Law constant for methenamine is estimated as 3.7X10-10 atm-cu m/mole(SRC) derived from its vapor pressure, 6.1X10-4 mm Hg(1), and water solubility, 3.02X10+5 mg/L(2). This Henry's Law constant indicates that methenamine is expected to be essentially nonvolatile from water surfaces(3). Methenamine's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Methenamine is not expected to volatilize from dry soil surfaces(SRC) based on its vapor pressure.

Using a structure estimation method based on molecular connectivity indices(1), the Koc for methenamine can be estimated to be about 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that methenamine is expected to have very high mobility in soil(SRC). The pKa of methenamine is 4.89(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).

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)

N-NITROSOMORPHOLINE

59-89-2

4-Nitrosomorpholine

Nitrosomorpholine

Morpholine, 4-nitroso-

NMOR

N-Nitrosomorpholin

Morpholine, N-nitroso-

N-Nitrosomorfolin

NCI-C02164

4-Nitroso-morpholine

3L25FO7FN7

DTXSID4021056

CHEBI:76326

NSC-139

DTXCID001056

NSC 139

N-Nitrosomorfolin [Czech]

CAS-59-89-2

N-Nitrosomorpholin [German]

67587-56-8

CCRIS 473

Molsidomine impurity B

HSDB 4308

BRN 0112139

UNII-3L25FO7FN7

N-nitroso morpholine

N-Nitrosomorpholine solution

WLN: T6N DOTJ ANO

N-Nitrosomorpholine (NMOR)

CHEMBL165908

NSC139

SCHEMBL1578515

N-NITROSOMORPHOLINE [MI]

N-NITROSOMORPHOLINE [HSDB]

N-NITROSOMORPHOLINE [IARC]

Tox21_202132

Tox21_302867

MFCD00039710

STL301087

AKOS015903272

NCGC00249174-01

NCGC00256343-01

NCGC00259681-01

BS-17191

SY052130

4-Nitrosomorpholine 0.1 mg/ml in Methanol

4-Nitrosomorpholine 1.0 mg/ml in Methanol

DB-053489

HY-131123

CS-0128913

N0466

NS00010254

C19283

N-Nitrosomorpholine 100 microg/mL in Methanol

T72681

EN300-7323775

Q22138414

Z1255360497

Molsidomine impurity B, European Pharmacopoeia (EP) Reference Standard

The Henry's Law constant for N-nitrosomorpholine is 2.45X10-8 atm-cu-m/mol at 37 °C(1). This value indicates that N-nitrosomorpholine will be essentially nonvolatile from water surfaces(2). Although N-nitrosomorpholine's estimated vapor pressure of 0.036 mm Hg at 20 °C(3) and measured Henry's Law constant suggest that volatilization from dry and moist soil is not expected to occur(SRC), inhalation toxicity studies found that N-nitrosomorpholine was volatile at room temperatures with inhalation exposure possible(4).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of N-nitrosomorpholine can be estimated to be 22(SRC). The Koc of N-nitrosomorpholine can be estimated as 4(SRC), using a log Kow of -0.44(2) and a regression-derived equation(1). According to a classification scheme(3), these estimated Koc values suggest that N-nitrosodiethylamine is expected to have very high mobility in soil.

Oxirane

ETHYLENE OXIDE

75-21-8

Epoxyethane

1,2-Epoxyethane

Oxacyclopropane

Dihydrooxirene

Oxidoethane

Oxyfume

Ethene oxide

Dimethylene oxide

Amprolene

Anprolene

Anproline

Aethylenoxid

1,2-Epoxyaethan

Merpol

Oxiran

Oxyfume 12

T-Gas

Oxirene, Dihydro-

Ethyleenoxide

Oxiraan

Ethox

Etylenu tlenek

FEMA No. 2433

oxyde d'ethylene

Rcra waste number U115

Caswell No. 443

Qazi-ketcham

ETO

NCI-C50088

Etilene (ossido di)

alpha,beta-Oxidoethane

CCRIS 297

Ethylene (oxyde d')

ENT-26263

ethyleneoxy

HSDB 170

UN 1040

CHEBI:27561

Oxiranyl radical

UNII-JJH7GNN18P

JJH7GNN18P

EINECS 200-849-9

EPA Pesticide Chemical Code 042301

E.O.

AI3-26263

CIBA-GEIGY 9138

DTXSID0020600

EC 200-849-9

epoxide or oxirane

Sterilizing gas ethylene oxide 100%

Oxirane; Ethylene oxide

Oxiraan [Dutch]

ETHYLENE OXIDE (IARC)

ETHYLENE OXIDE [IARC]

ETHYLENE OXIDE (MART.)

ETHYLENE OXIDE [MART.]

Aethylenoxid [German]

Ethyleenoxide [Dutch]

ethyleneoxide

ethylenoxide

Etylenu tlenek [Polish]

Oxide, Ethylene

1,2-Epoxyaethan [German]

1,2-Epoxy ethane

Ethylene (oxyde d') [French]

Ethylene Oxide 1000 microg/mL in Triacetin

Etilene (ossido di) [Italian]

UN1040

RCRA waste no. U115

monooxirane

Oxiranyl

ethylene-oxide

epoxy ethane

Caswell no 443

Fema no 2433

Epitope ID:116215

.alpha.,.beta.-Oxidoethane

ETHYLENE OXIDE [MI]

DTXCID60600

ETHYLENE OXIDE [FHFI]

ETHYLENE OXIDE [HSDB]

Ethylene oxide, >=99.5%

Ethylene oxide, >=99.9%

ALPHA, BETA-OXIDOETHANE

CHEMBL1743219

ETHYLENE OXIDE [WHO-DD]

DTXSID30185475

Ethylene oxide, purum, >=99.8%

c0527

MFCD00014482

AKOS009031564

USEPA/OPP Pesticide Code: 042301

E0647

E0689

E0690

E0692

E0693

InChI=1/C2H4O/c1-2-3-1/h1-2H

NS00005032

C06548

D03474

Q407473

Ethylene oxide 50000 microg/mL in Dichloromethane

Ethylene oxide 10000 microg/mL in Dimethylsulfoxide

E O

Ethylene oxide, or ethlene oxide with nitrogen up to a total pressure of 1Mpa (10 bar) at 50 degrees C

Ethylene oxide, or ethlene oxide with nitrogen up to a total pressure of 1Mpa (10 bar) at 50 degrees C [UN1040] [Poison gas]

The Henry's Law constant for ethylene oxide is 1.48X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that ethylene oxide 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 6 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 4 days(SRC). Ethylene oxide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.31X10+3 mm Hg(3). Although no data on the volatilization of ethylene oxide from soil could be found, a study of the dissipation of ethylene oxide from fumigated commodities gave half-life values of 4 hr to 17.5 days(4).
Literature: (1) Conway RA et al; Environ Sci Technol 17:107-112 (1983) (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. Washington, DC: Taylor and Francis (1985) (4) Bogyo DA et al; Investigations of Selected Potential Environmental Contaminants: Epoxides. USEPA-560/11-80-005 p. 70-90 (1980)

Koc of ethylene oxide was reported to be 2.20(1). According to a classification scheme(2), this estimated Koc value suggests that ethylene oxide is expected to have very high mobility in soil(SRC).
Literature: (1) Chu W, Chan KH; Sci Total Environ 248: 1-10 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

3-METHYLINDOLE

3-Methyl-1H-indole

Skatole

83-34-1

Scatole

Skatol

1H-Indole, 3-methyl-

beta-Methylindole

Indole, 3-methyl-

3-MI

3-methyl indole

3-Methyl-4,5-benzopyrrole

FEMA No. 3019

CCRIS 8961

NSC 122024

HSDB 3511

EINECS 201-471-7

.beta.-Methylindole

UNII-9W945B5H7R

SKATOLUM

CHEBI:9171

DTXSID8021775

AI3-24372

9W945B5H7R

MFCD00005627

NSC-122024

DTXCID601775

3-methylindole (skatole)

NCGC00167540-01

Skatole, >=98%

3 Methylindole

CAS-83-34-1

SMR000677925

b-Methylindole

3-methyl-indole

3-?Methylindole

3-methyl-1H-indol

16alpha-Hydroxycortisol

SKATOLUM [HPUS]

3-Methylindole, 98%

SKATOLE [FHFI]

SKATOLE [MI]

bmse000516

SCHEMBL5396

MLS001332537

MLS001332538

WLN: T56 BMJ D1

3-METHYLINDOLE [HSDB]

CHEMBL1329793

HMS2233B05

HMS3371O13

3-Methylindole, analytical standard

BCP00912

Tox21_112537

AM1199

NSC122024

s4959

STK033388

AKOS005254880

Tox21_112537_1

CCG-214598

CG-0502

CS-W007355

HY-W007355

MCULE-8593828076

SB14956

NCGC00167540-03

AC-13010

DB-011225

M0347

NS00013192

EN300-41009

N-TERT-BUTYLBENZENESULFINIMIDOYLCHLORIDE

A15835

C08313

M-3898

P10013

AP-065/40182778

Q412281

BRD-K73824630-001-03-2

Z415653134

InChI=1/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H