Methanecarboxamide

Essigsaeureamid

acetoamide

acetylamine

Ethanamide

acetamid

acetamide

Azetamid

DLFVBJFMPXGRIB-UHFFFAOYSA-N

Ethanamid

Acetimidic acid

Ethanimidic acid

N-Methylformamde

Acetamide, analytical standard

Amid kyseliny octove

CNM

Acetic acid amide

CH3CONH2

Acetamide (Ethanamide)

Amide C2

02U

AC1L18NI

AC1Q2B5A

CCRIS 2

8XOE1JSO29

ACMC-1AWJ5

Acetamide, >=98%

DSSTox_CID_5

GTPL4661

KSC353G6F

CHEMBL16081

UNII-8XOE1JSO29

A0007

A0210

Acetimidic acid (VAN)

CTK1A5953

CTK2F3362

WLN: ZV1

Acetamide, crystalline, >=99%

Amid kyseliny octove [Czech]

BIDD:ER0566

DB02736

LP00003

NSC25945

RL04274

STR01066

bmse000825

bmse000895

C06244

Ethanimidic acid (9CI)

HMS3260A07

HSDB 4006

Acetamide, sublimed, 99%

BT000100

DTXSID7020005

LS-1431

OR034200

OR293213

OR293214

STL283915

A 0500

A832706

CHEBI:27856

CHEBI:49028

NCI-C02108

ZINC8034818

4CN-0956

AB1002187

AK-97258

AN-23637

ANW-20374

Caswell No. 003H

DSSTox_GSID_20005

KB-47044

Lopac-A-0500

NSC 25945

NSC-25945

SC-18410

ST2412615

TRA0053610

DSSTox_RID_75317

MFCD00008023

AI3-02060

CCG-204099

LT00795814

RTR-037243

TR-037243

AKOS000118788

AKOS015917387

I14-9593

J-523678

Lopac0_000003

S14-1087

BRN 1071207

EU-0100003

FT-0603458

FT-0621721

FT-0621725

FT-0625737

MLS002153504

SMR000326670

60-35-5

Acetamide, ~99% (GC)

Acetamide, zone-refined, purified by sublimation, 99%

Tox21_300776

Tox21_500003

F1908-0077

Acetamide, 99% 250g

CAS-60-35-5

9015-82-1

MCULE-9280264861

NCGC00015030-01

NCGC00015030-02

NCGC00015030-03

NCGC00015030-04

NCGC00015030-05

NCGC00093530-01

NCGC00093530-02

NCGC00254680-01

NCGC00260688-01

Acetamide, >=98.0% (GC)

Acetamide, >=99.0% (GC)

EINECS 200-473-5

27595-75-1

Acetamide (6CI,7CI,8CI,9CI)

9745-EP2269990A1

9745-EP2275407A1

9745-EP2275469A1

9745-EP2287940A1

9745-EP2289890A1

9745-EP2289965A1

9745-EP2295402A2

9745-EP2295550A2

9745-EP2298744A2

9745-EP2298749A1

9745-EP2298761A1

9745-EP2298776A1

9745-EP2298777A2

9745-EP2298828A1

9745-EP2301918A1

9745-EP2301933A1

9745-EP2301983A1

9745-EP2305640A2

9745-EP2305648A1

9745-EP2305687A1

9745-EP2308872A1

9745-EP2308873A1

9745-EP2308880A1

9745-EP2311808A1

9745-EP2311827A1

9745-EP2311829A1

9745-EP2311842A2

9745-EP2314593A1

9745-EP2316829A1

9745-EP2316831A1

9745-EP2316834A1

MolPort-001-779-697

25464-EP2284166A1

25464-EP2314580A1

25704-EP2298729A1

25704-EP2315303A1

4-02-00-00399 (Beilstein Handbook Reference)

ACETAMIDE (SEE ALSO N-(4-FLUORENYL)ACETAMIDE 28322-02-3)

InChI=1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4

The Henry's Law constant for acetamide is estimated as 2.0X10-9 atm-cu m/mole(SRC) derived from its vapor pressure, 0.018 mm Hg(1), and water solubility, 7.05E10+5 mg/L(2). This Henry's Law constant indicates that acetamide is expected to be essentially nonvolatile from water surfaces(3). Acetamide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Acetamide is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure. Evaporation of acetamide at 20 deg C is reported to be negligible(4).
Literature: (1) ECHA; Search for Chemicals. Acetamide (CAS 60-35-5) Registered Substances Dossier. European Chemical Agency. Available from, as of August 8, 2016: http://echa.europa.eu/ (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL, p. 35 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) CDC; International Chemical Safety Cards (ICSC) 2012. Atlanta, GA: Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health (NIOSH). Ed Info Div. Available from, as of August 9, 2016: http://www.cdc.gov/niosh/ipcs/default.html

An experimental Koc of 5 has been reported for acetamide(1). According to a classification scheme(2), this Koc value suggests that acetamide is expected to have very high mobility in soil.
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (2006), Supporting Information. Available at, as of August 9, 2016: http://pubs.acs.org/doi/suppl/10.1021/es060152f (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Phenylmethanal benzenecarboxaldehyde

Benzenecarboxaldehyde

Phenylformaldehyde

PENTADEOTERO BENZALDEHYDE

benzanoaldehyde

Benzenecarbonal

Benzenemethylal

Benzylaldehyde

Phenylmethanal

Phenylmethanone

benzaidehyde

benzaldehvde

benzaldehyde

Benzene carboxaldehyde

Benzyaldehyde

Benzadehyde

benzaldehyd

Benzaldehyde Natural

Benzene carbaldehyde

Natural Benzaldehyde

Aromatic aldehyde

HUMNYLRZRPPJDN-UHFFFAOYSA-N

Benzaldehyde FFC

Benzaldehyde, analytical standard

Benzene methylal

Benzoic aldehyde

Benzoyl hydride

Almond artificial essential oil

Bitter almond

Artificial almond oil

Benzoic acid aldehyde

HBX

Artificial bitter almond oil

bitter almond oil synthetic

(phenyl)methanone

Artificial essential oil of almond

Ben zoyl hydride

Artifical essential oil of almond

2vj1

Benzaldehyde (natural)

Ethereal oil of bitter almonds

SCHEMBL573

Synthetic oil of bitter almond

AC1L18SM

AC1Q6PV7

Benzaldehyde [USAN]

Benzaldehyde, pharmaceutical secondary standard; traceable to USP

Bitter almond oil, synthetic

Oil Of bitter almond

Benzaldehyde (NF)

NATURAL RSTD CASSIA OIL DIST FLAVOR

WLN: VHR

Benzaldehyde, European Pharmacopoeia (EP) Reference Standard

KSC176K2J

ACMC-1C91Y

CHEMBL15972

LS-27

NSC7917

UN1990

B2379

BDBM60953

Benzaldehyde, United States Pharmacopeia (USP) Reference Standard

CTK0H6524

HMDB06115

HSDB 388

nchembio814-comp15

TA269SD04T

BIDD:ER0249

LS41490

RP18863

C00193

C00261

CCRIS 2376

D02314

DSSTox_CID_134

UNII-TA269SD04T

ZINC895145

AK109012

BENZALDEHYDE REACTION PRODUCTS WITH HEPTANAL DISTN. LIGHTS

DTXSID8039241

NA 1989

NSC 7917

NSC-7917

OR035988

OR192667

PL039416

A800226

Benzaldehyde, AR, >=99%

Benzaldehyde, LR, >=99%

CHEBI:17169

NCI-C56133

AJ-24149

ANW-14310

DSSTox_GSID_39241

SC-19173

BDBM50139371

Caswell No. 076

DSSTox_RID_79432

MFCD00003299

MFCD00801585

ZINC00895145

AI3-09931

Benzaldehyde, purified by redistillation, >=99.5%

Benzaldehyde, ReagentPlus(R), >=99%

DB-023673

KB-250682

LT00939687

ST24030100

TC-103055

AKOS000119172

EPA Pesticide Chemical Code 008601

ghl.PD_Mitscher_leg0.170

I01-1667

I14-7330

FEMA No. 2127

FT-0622622

Benzaldehyde, >=98%, FG, FCC

Benzaldehyde, for synthesis, 95.0%

I14-90980

Benzaldehyde, 98% 250g

Benzaldehyde, SAJ special grade, >=98.0%

Tox21_113069

Tox21_113244

Tox21_200634

100-52-7

Ald3-H_000012

Benzaldehyde, Vetec(TM) reagent grade, 98%

F1294-0144

MCULE-7744113682

NCGC00091819-01

NCGC00091819-02

NCGC00091819-03

NCGC00258188-01

Benzaldehyde, natural, >=98%, FCC, FG

CAS-100-52-7

EINECS 202-860-4

55279-75-9

SR-01000944375

Ald3.1-H_000160

Ald3.1-H_000479

Ald3.1-H_000798

5044-EP2269979A1

5044-EP2269990A1

5044-EP2272491A1

5044-EP2272827A1

5044-EP2275404A1

5044-EP2275411A2

5044-EP2275412A1

5044-EP2277858A1

5044-EP2277865A1

5044-EP2277878A1

5044-EP2281818A1

5044-EP2284157A1

5044-EP2286915A2

5044-EP2287152A2

5044-EP2287159A1

5044-EP2289868A1

5044-EP2292593A2

5044-EP2295402A2

5044-EP2295410A1

5044-EP2295441A2

5044-EP2298767A1

5044-EP2298776A1

5044-EP2301534A1

5044-EP2301536A1

5044-EP2301538A1

5044-EP2305625A1

5044-EP2305629A1

5044-EP2305662A1

5044-EP2305679A1

5044-EP2305687A1

5044-EP2305769A2

5044-EP2305808A1

5044-EP2308562A2

5044-EP2311451A1

5044-EP2311455A1

5044-EP2311806A2

5044-EP2311840A1

5044-EP2314295A1

5044-EP2314586A1

5044-EP2314587A1

5044-EP2314593A1

5044-EP2316450A1

5044-EP2316832A1

5044-EP2316833A1

5044-EP2371831A1

5044-EP2374454A1

5044-EP2374783A1

5044-EP2377841A1

5044-EP2380871A1

Benzaldehyde, purum, >=98.0% (GC)

53585-EP2305651A1

53585-EP2308854A1

Benzaldehyde [UN1990] [Class 9]

Benzaldehyde on polystyrene, 0.8-1.5 mmol/g

125826-EP2287158A1

125826-EP2295422A2

SR-01000944375-1

Benzaldehyde [UN1990] [Class 9]

Benzaldehyde, puriss. p.a., >=99.0% (GC)

InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6

The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde 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 1.5 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 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 30, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Benzylcarboxaldehyde

Benzenacetaldehyde

Benzeneacetaldehyde

phenylacetaldehyde

Phenylacetoaldehyde

Benzacetaldehyde

Phenacetaldehyde

alpha-Phenylacetaldehyde

benzeneethanal

Oxophenylethane

Phenylacetic aldehyde

Phenylethanal

a-Phenylacetaldehyde

Hyacinthin

phenyl acetaldehyde

phenyl acetoaldehyde

phenyl-Acetaldehyde

alpha-Tolualdehyde

alpha-Tolyaldehyde

DTUQWGWMVIHBKE-UHFFFAOYSA-N

PHENYLACETALDEHYDE, MONOMER

2-phenylacetaldehyde

a-Tolualdehyde

a-Tolyaldehyde

alpha-Toluic aldehyde

2-Phenylethanal

Phenylacetaldehyde (natural)

2-phenyl-acetaldehyde

a-toluic aldehyde

AC1Q6QIR

AC1Q6QJB

HY1

Phenylacetaldehyde, >=90%

Acetaldehyde, phenyl-

U8J5PLW9MR

.alpha.-Tolualdehyde

AC1L1AI5

UNII-U8J5PLW9MR

KSC174S9R

.alpha.-Toluic aldehyde

ACMC-209uaw

PubChem19675

SCHEMBL18972

CTK0H4998

HMDB06236

P0119

1-Oxo-2-phenylethane

DB02178

Phenylacetaldehyde solution, technical, ~50% in diethyl phthalate

RP19376

bmse000427

C00601

ZINC895323

AK159198

BC250050

CHEMBL1233464

DTXSID3021483

Jsp001532

LS-3037

NSC406309

OR025047

OR209763

OR244402

SBB061710

ZB015022

A804962

CHEBI:16424

DSSTox_CID_1483

AJ-24176

AN-22889

ANW-43542

DSSTox_GSID_21483

SC-19014

TRA0034790

DSSTox_RID_76177

MFCD00006993

ZINC00895323

AI3-02175

DB-041686

NCIOpen2_003602

NSC 406309

NSC-406309

Phenylacetaldehyde, >=95%, FCC, FG

RTR-003630

ST24041010

ST51047695

TR-003630

Acetaldehyde, phenyl- (8CI)

AKOS000119316

I01-0480

Q-201558

FEMA No. 2974

Tox21_201582

Tox21_302945

122-78-1

F2190-0653

ETHYL, 1-OXO-2-PHENYL-

MCULE-3725701027

NCGC00249076-01

NCGC00256522-01

NCGC00259131-01

CAS-122-78-1

EINECS 204-574-5

MolPort-001-780-108

11967-EP2272517A1

11967-EP2287159A1

11967-EP2301534A1

11967-EP2305671A1

11967-EP2308848A1

11967-EP2311451A1

11967-EP2311840A1

11967-EP2316450A1

11967-EP2374783A1

11967-EP2377841A1

Phenylacetaldehyde solution, natural, 10 wt. % in ethanol, FG

D60A2590-0A65-4BA8-A05B-D8423408535C

InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H

Aminomethylidyneradical

Monomethylamine

Aminomethane

Anhydrous Methylamine

methaneamine

Methylamine anhydrous

Methylamine solutions

Methylaminen

methylammonia

methylarnine

aminomethyl

Carbinamine

Mercurialin

Methanamine

methylamin

METHYLAMINE

Methylamine aqueous solution

Methylamine solution

Metilamine

metylamine

Metyloamina

BAVYZALUXZFZLV-UHFFFAOYSA-N

mono-methylamine

monomethyl amine

Methylamine aq

Methylamine, anhydrous

N-Methylamine

methyl-amine

methylamine-

Methylamine, aqueous solution

NME

(Aminomethyl)polystyrene, macrobeads

MeNH2

AC1L1MAC

AC1Q3VRA

Methanamine (methylamine)

Methyl Of Gamma-N-Methylasparagine

mono methyl amine

mono-methyl amine

ACMC-1BEIQ

CH3NH2

JandaJel™-NH2

Methylamine, in aqueous solution

Methylamine, solution in ethanol

N-methyl amine

Polystyrene AM-NH2

3P8

AC1Q3VR9

Methylamine, 2M in tetrahydrofuran

Methylaminen [Dutch]

Metilamine [Italian]

Metyloamina [Polish]

BSF23SJ79E

CH3-NH2

KSC377M9L

CHEMBL43280

Methylamine, 2M in methanol

UN1061

UN1235

UNII-BSF23SJ79E

CTK2H7695

HMDB00164

HSDB 810

M0137

M1016

M2108

M2323

M2324

DB01828

Methylamine, anhydrous, >=98%

A23960

C00218

CCRIS 2508

LTBB001213

DTXSID7025683

LS-1634

Methylamine, >=99.0%

OR034184

OR079747

OR273862

OR336907

STL281863

UN 1061

CHEBI:16830

AN-23826

BP-11399B

DEA Code 8520

SC-46830

TRA0074535

BDBM50416492

MFCD00008104

Integrase inhibitor, R3{3}

Methylamine solution (42% or less)

RTR-037660

TR-037660

AKOS009031510

I05-0636

FT-0601768

FT-0628859

Methylamine solution, 2.0 M in methanol

Methylamine, purum, >=99.0%

Methylamine, purum, >99.5%

74-89-5

AI3-15637-X

Methylamine solution, 2.0 M in THF

Methylamine solution, 33 wt. % in absolute ethanol

MCULE-1379281060

EINECS 200-820-0

42939-70-8

85404-17-7

UN 1235 (Salt/Mix)

Methylamine solution, 40 wt. % in H2O

119775-09-6

593-51-1 (hydrochloride)

Methylamine, anhydrous [UN1061] [Flammable gas]

Methylamine, aqueous solution [UN1235] [Flammable liquid]

MolPort-000-871-955

1391413-98-1

6876-37-5 (hydrobromide)

InChI=1/CH5N/c1-2/h2H2,1H

14965-49-2 (hydriodide)

Methylamine, anhydrous [UN1061] [Flammable gas]

Methylamine, aqueous solution [UN1235] [Flammable liquid]

17000-00-9 (hydride)

22113-87-7 (nitrate)

Methylamine solution, 40 wt. % in water 250ml

33689-83-7 (sulfate[2:1])

Polystyrene AM-NH2, macrobeads, extent of labeling: 0.8-1.4 mmol/g N loading

JandaJel(TM)-NH2, 50-100 mesh, extent of labeling: 1.0 mmol/g N loading, 2 % cross-linked

JandaJel(TM)-NH2, 100-200 mesh, extent of labeling: 1.0 mmol/g N loading, 2 % cross-linked

JandaJel(TM)-NH2, 200-400 mesh, extent of labeling: 1.0 mmol/g N loading, 2 % cross-linked

A pKa of 10.62(1) indicates methylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil surfaces is not expected to be an important fate process(2). Methylamine is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2650 mm Hg(3).
Literature: (1) Dean JA; Handbook of Organic Chemistry. NY,NY: McGraw-Hill, Inc., p. 8-38 (1987) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) 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, Vol 1 (1995)

No detectable sorption of methylamine was observed on a Podzol soil (4.85% organic C)(1). A Koc value of 389 was observed on Alfisol agricultural soil (1.25% organic C)(1). A Koc value of 449 was observed on a subliminic soil, a sediment of Lake Constance (1.58% organic C)(1). According to a classification scheme(2), these Koc values suggest that methylamine is expected to have moderate mobility in soil. Adsorption (desorption) partition coefficients for methylamine on montmorillonite and sediment were 7.0 (9.3) mL/g and 3.5 (5.4) mLg, respectively; at high concns, approx 20% of the methylamine absorbed onto montmorillonite was not desorbed(3). An adsorption partition coefficient of <1 was observed on kaolinite(3).
Literature: (1) von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Wang XC, Lee C; Mar Chem 1-23 (1993)

Benzosulfonazole

benzothiazol

BENZOTHIAZOLE

benzthiazole

IOJUPLGTWVMSFF-UHFFFAOYSA-N

Benzothiazole, analytical standard

BOT

Vangard BT

BENZO[D]THIAZOLE

benzo[d]thiazol

AC1L1OA4

Benzothiazole, 96%

SCHEMBL8430

1,3-Benzothiazole

KSC486M5N

NSC8040

B0092

CTK3I6656

G5BW2593EP

W9729

ZINC19726

1,3-Benzothiazole #

ACMC-209rv5

CHEMBL510309

RP20214

1-Thia-3-azaindene

CCRIS 7893

HSDB 2796

UNII-G5BW2593EP

AC-3297

AK105881

Benzothiazole, >=96%, FG

DTXSID7024586

FEMA Number 3256

HE020667

HE419098

Jsp004380

LS-1973

MP-2108

NSC 8040

NSC-8040

SBB058513

SCHEMBL9304593

STL268890

ZB000761

CHEBI:45993

DSSTox_CID_4586

O-2857

AJ-08402

AK-72791

AN-13114

ANW-40383

BR-72791

CJ-00148

DSSTox_GSID_24586

KB-47702

SC-18067

ST2412661

TL8005981

TRA0008463

USAF EK-4812

BDBM50444460

DSSTox_RID_77458

MFCD00005775

ZINC00019726

AI3-05742

DB-057562

RTR-029662

ST51023425

TR-029662

AKOS000120178

Epitope ID:138946

I01-0420

Q-100900

WLN: T56 BN DSJ

BRN 0109468

FEMA No. 3256

FT-0622731

FT-0660763

FT-0689534

MLS001050134

SMR001216577

95-16-9

Tox21_201853

Tox21_303232

Benzothiazole, Vetec(TM) reagent grade, 96%

F0001-2268

Z1245735190

CAS-95-16-9

MCULE-5257468117

NCGC00091399-01

NCGC00091399-02

NCGC00257070-01

NCGC00259402-01

EINECS 202-396-2

128366-28-9

MolPort-001-779-851

11895-EP2269978A2

11895-EP2269985A2

11895-EP2269991A2

11895-EP2270010A1

11895-EP2270113A1

11895-EP2270505A1

11895-EP2272828A1

11895-EP2272832A1

11895-EP2272935A1

11895-EP2272972A1

11895-EP2272973A1

11895-EP2275105A1

11895-EP2275409A1

11895-EP2275411A2

11895-EP2276085A1

11895-EP2277858A1

11895-EP2277869A1

11895-EP2277872A1

11895-EP2280000A1

11895-EP2281563A1

11895-EP2281818A1

11895-EP2281824A1

11895-EP2284150A2

11895-EP2284151A2

11895-EP2284152A2

11895-EP2284153A2

11895-EP2284155A2

11895-EP2284156A2

11895-EP2284157A1

11895-EP2284164A2

11895-EP2284920A1

11895-EP2287140A2

11895-EP2287148A2

11895-EP2287150A2

11895-EP2287165A2

11895-EP2287166A2

11895-EP2289871A1

11895-EP2289876A1

11895-EP2292586A2

11895-EP2292590A2

11895-EP2292592A1

11895-EP2292593A2

11895-EP2292611A1

11895-EP2292620A2

11895-EP2292630A1

11895-EP2295419A2

11895-EP2295421A1

11895-EP2295433A2

11895-EP2298732A1

11895-EP2298767A1

11895-EP2298828A1

11895-EP2301534A1

11895-EP2301912A2

11895-EP2301913A1

11895-EP2301914A1

11895-EP2301916A2

11895-EP2301923A1

11895-EP2301983A1

11895-EP2302003A1

11895-EP2305219A1

11895-EP2305637A2

11895-EP2305642A2

11895-EP2305643A1

11895-EP2305651A1

11895-EP2305652A2

11895-EP2305662A1

11895-EP2305675A1

11895-EP2305695A2

11895-EP2305696A2

11895-EP2305697A2

11895-EP2305698A2

11895-EP2308510A1

11895-EP2308562A2

11895-EP2308832A1

11895-EP2308840A1

11895-EP2308849A1

11895-EP2308850A1

11895-EP2308854A1

11895-EP2308863A1

11895-EP2311451A1

11895-EP2311796A1

11895-EP2311797A1

11895-EP2311798A1

11895-EP2311799A1

11895-EP2311842A2

11895-EP2314575A1

11895-EP2314582A1

11895-EP2314587A1

11895-EP2315303A1

11895-EP2316450A1

11895-EP2316459A1

11895-EP2371810A1

11895-EP2371811A2

11895-EP2371812A1

11895-EP2372804A1

11895-EP2378585A1

29076-EP2272517A1

29076-EP2277868A1

29076-EP2277869A1

29076-EP2277870A1

29076-EP2281815A1

29076-EP2305250A1

29076-EP2305640A2

29076-EP2305671A1

29076-EP2305675A1

29076-EP2305769A2

29076-EP2311826A2

29076-EP2311842A2

62566-EP2308812A2

87422-EP2270018A1

87422-EP2298780A1

87422-EP2305689A1

AC-907/25014160

4-27-00-01069 (Beilstein Handbook Reference)

InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5

The Henry's Law constant for benzothiazole is estimated as 3.7 X 10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that benzothiazole will volatilize slowly from water surfaces(2,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) is estimated as approximately 114 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 832 days(2,SRC). Benzothiazole's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces should be slow(SRC).
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)

The Koc of benzothiazole is estimated as approximately 295(SRC), using an experimental log Kow of 2.01(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzothiazole has moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Hydrophobic, Electronic and Stearic Constants Washington DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

Methylpyrazine

CAWHJQAVHZEVTJ-UHFFFAOYSA-N

methyl pyrazine

2-METHYLPYRAZINE

5-methylpyrazine

AC1L1PZI

2-METHYL PYRAZINE

2-methyl-pyrazine

5-methyl pyrazine

AC1Q4X6O

PubChem8601

Pyrazine, methyl-

KSC174Q5L

I837

2-Methylpyrazine, pharmaceutiical secondary standard; traceable to PhEur

ACMC-1BQ03

M0736

RVC6500U9C

CTK0H4855

VP40104

NSC30412

NSC49138

RP18574

CHEMBL479791

2-Methylpyrazine, >=99%

UNII-RVC6500U9C

CCRIS 2927

SBB060830

HE020642

DTXSID4047620

AC-3331

Jsp000741

LS-2959

Pyrazine, 2-methyl-

2-Methylpyrazine, European Pharmacopoeia (EP) Reference Standard

M-6097

ZINC1661081

CHEBI:89015

ST2410153

NSC-49138

NSC-30412

NSC 30412

AJ-28911

AK-88672

AN-13077

ANW-75353

CJ-26824

KB-25557

DSSTox_GSID_47620

SC-00320

DSSTox_CID_27620

MFCD00006142

ZINC01661081

TC-164098

DB-002464

AI3-36550

TC-060297

ST51046936

Q-100051

WLN: T6N DNJ B1

I01-1852

2-Methyl-1,4-diazine

AKOS009156584

FT-0613074

FEMA No. 3309

10-98-0

Tox21_303776

109-08-0

2- methyl-1,4-diazine

Z1245664655

F8889-9211

NCGC00188126-01

MCULE-8697656728

NCGC00357068-01

CAS-109-08-0

EINECS 203-645-8

2-Methylpyrazine, >=99%, FCC, FG

MolPort-000-157-481

InChI=1/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H

Monobutilamina

Monobutylamime

Monobutylamine

Aminobutane

Butanamine

Butylamine

Butylarnine

Norralamine

Norvalamine

HQABUPZFAYXKJW-UHFFFAOYSA-N

Butylamine, analytical reference material

butyl amine

LYT

n-Butilamina

n-butyiamine

N-Butylamin

N-BUTYLAMINE

1-Butanaminen-butilamina

normal-butyl amine

1-Aminobutan

1-Aminobutane

1-Butanamine

1-Butylamine

Mono-n-butylamine

Monobutilamina [Romanian]

Aminobutane (Related)

BUTYLAMINE, N

n-butyl amine

n-butyl-amine

AC1L1Q1U

1-Amino-butaan

1-amino-butan

1-AMINO-BUTANE

butan-1-amine

butane-1-amine

N2QV60B4WR

Butylamine, >=99%

KSC175M4L

Butylamine, 99%

CHEMBL13968

n-Butilamina [Italian]

NSC8029

UN1125

UNII-N2QV60B4WR

2-amino-2-methylpropan

B0707

CTK0H5645

HSDB 515

n-Butylamin [German]

n-C4H9NH2

WLN: Z4

DB03659

LS-485

n-butan-1-amine

RP18328

1-Aminobutan [German]

CCRIS 4756

BBL027788

BT000102

DTXSID1021904

FEMA Number 3130

LP113871

NSC 8029

NSC-8029

OR034464

STL308736

UN 1125

CHEBI:43799

DSSTox_CID_1904

ZINC1586365

AJ-27547

AN-22572

ANW-16086

Butylamine, 99.5%

DSSTox_GSID_21904

KB-48519

TRA0026534

1-Amino-butaan [Dutch]

ACMC-209948

BB_SC-6761

DSSTox_RID_76395

MFCD00011690

AI3-24197

NCIOpen2_009229

RTR-002082

TR-002082

AKOS000118810

I05-0345

J-002322

FEMA No. 3130

FT-0623326

Tox21_301131

109-73-9

F2190-0358

Butylamine, puriss., 99.0%

MCULE-4233278050

NCGC00248302-01

NCGC00255030-01

CAS-109-73-9

EINECS 203-699-2

42939-72-0

50929-03-8

85404-21-3

1-Butylamine, 99% 100ml

n-Butylamine [UN1125] [Flammable liquid]

4454-EP2281563A1

4454-EP2287141A1

4454-EP2289510A1

4454-EP2289887A2

4454-EP2289888A2

4454-EP2289894A2

4454-EP2298746A1

4454-EP2305629A1

4454-EP2308838A1

4454-EP2308867A2

4454-EP2308870A2

4454-EP2311804A2

MolPort-001-788-476

3858-78-4 (hydrochloride)

Butylamine, purum, >=98.0% (GC)

Butylamine, purum, >=99.0% (GC)

12339-EP2270010A1

12339-EP2272517A1

12339-EP2289509A2

12339-EP2292619A1

12339-EP2295418A1

12339-EP2298742A1

12339-EP2298761A1

12339-EP2305250A1

12339-EP2305642A2

12339-EP2308812A2

12339-EP2314298A1

12339-EP2314593A1

12339-EP2316974A1

12339-EP2377849A2

56744-EP2298305A1

56744-EP2298769A1

56744-EP2308878A2

n-Butylamine [UN1125] [Flammable liquid]

Butylamine, puriss., >=99.5% (GC)

InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H

N-BUTYLAMINE (SEE ALSO: SEC-BUTYLAMINE (CAS 13952-84-6) &TERT-BUTYLAMINE (CAS 75-64-9))

A pKa of 10.78(1) indicates n-butylamine will exist almost entirely in the cation form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). The potential for volatilization of n-butylamine from dry soil surfaces may exist(SRC) based upon a vapor pressure of 92.9 mm Hg(5).
Literature: (1) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) 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 (1995)

The Koc of n-butylamine has been determined to be 15, 105 and 107 in Podzol soil, Alfisol soil and sediment, respectively(1). According to a classification scheme(2), these Koc values suggest that n-butylamine is expected to have high mobility in soil(SRC). The pKa of n-butylamine is 10.78(3) indicating that this compound will exist almost entirely in the cation form in the environment and cations generally adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Perrin DD; Dissociation constants of organic bases in aqueous solution. IUPAC Chem Data Ser, Buttersworth, London (1965) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Duodecane

DODECANE

SNRUBQQJIBEYMU-UHFFFAOYSA-N

Dihexyl

lauryl

dodecan

Bihexyl

Dodekan

Dodecane, analytical standard

N-Dodecan

n-Dodecane

Normal Paraffin M

D12

AC1L1QG7

Adakane 12

Undecane, methyl-

Norpar 13

U215

KSC175C3D

NSC8714

CHEMBL30959

Dodecane, 99%

CCRIS 661

S0284

CTK0H5131

D0968

n-Dodecan [German]

HSDB 5133

Dodecane, certified reference material, TraceCERT(R)

Dodecane, anhydrous, >=99%

11A386X1QH

C08374

WLN: 12H

LP003955

LP086061

NSC 8714

NSC-8714

STL280320

Jsp000956

DTXSID0026913

UNII-11A386X1QH

ZINC1531085

C12-14-alkanes

DSSTox_CID_6913

C12-n-alkane;

CHEBI:28817

DSSTox_GSID_26913

ANW-16463

AN-22698

LS-63438

DA-16704

SC-78851

EBD2203394

TRA0025406

DSSTox_RID_78250

UNII-FW7807707B component SNRUBQQJIBEYMU-UHFFFAOYSA-N

MFCD00008969

LMFA11000004

ACN-034829

RTR-002427

TR-002427

CH3(CH2)10CH3

AKOS015904160

Alkanes, C10-14

J-002767

FT-0625568

Dodecane, ReagentPlus(R), >=99%

BRN 1697175

I14-17881

Tox21_303615

112-40-3

I14-107531

Dodecane, technical, >=90% (GC)

NCGC00257481-01

MCULE-3947157412

NCGC00166012-01

CH3-[CH2]10-CH3

EINECS 203-967-9

EINECS 297-629-8

EINECS 300-199-7

CAS-112-40-3

Ba 51-090453

n-Dodecane, 99% 100ml

93924-07-3

93685-81-5

EC 300-199-7

MolPort-001-783-725

Density Standard 749 kg/m3, H&D Fitzgerald Ltd. Quality

Hydrocarbons, C4, 1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated

1310FACD-F2BF-4FD7-BC20-B21DF06EDE79

4-01-00-00498 (Beilstein Handbook Reference)

InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H

The Henry's Law constant for dodecane is estimated as 8.2 atm-cu m/mole(SRC) derived from its vapor pressure, 0.135 mm Hg(1), and water solubility, 3.7X10-3 mg/L(2). This Henry's Law constant indicates that dodecane is expected to volatilize rapidly 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 4 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 5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 32 days if adsorption is considered(4). Dodecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dodecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Kertes AS; Hydrocarbons with Water and Seawater Part II. Hydrocarbons C8 to C31. Solubility Data Series Vol 38. Shaw PC, ed., London, UK: Pergamon Press, 553 pp (1989) (2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp 5 Vol (1994) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dodecane can be estimated to be 4800(SRC). According to a classification scheme(2), this estimated Koc value suggests that dodecane is expected to have slight mobility in soil. In a study conducted to mimic a spill of 1.27 L/sq m, dodecane (present in JP-4 jet fuel) was transported to a depth of 10 cm; at the end of the study (134 days), it was no longer detected(3). In another study, it was determined that dodecane is slowly intercalated into well dried montmorillonite clay(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 25, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton, OH: Monsanto Res Corp. pp. 173 (1982) (4) Eltantawy IM, Arnold PW; Nature (London) Phys Sci 237: 123-25 (1972)

Methyldisulfanylmethane

Methyldithiomethane

dimethyldisulphide

Dimethyldisulfide

methyldisulfanyl methane

Methyldisulfide

Dimethyl disulphide

WQOXQRCZOLPYPM-UHFFFAOYSA-N

Dimethyl disulfide

methyl disulphide

Disulfide dimethyl

METHYL DISULFIDE

(Methyldisulfanyl)methane

DMDS

Sulfa-hitech

Dimethyl disulfide, analytical standard

(Methyldithio)methane

(Methyldisulfanyl)methane #

Disulfide, dimethyl

AC1Q4HER

AC1Q4HEQ

1,2-Dimethyldisulfane

PubChem9665

Dimethyl disulfide, >=99%

AC1L1Z53

2,3-Dithiabutane

Dimethyl disulfide, 99%

NSC9370

UN2381

Dimethyl disulfide, 98%

HMDB05879

D0714

CTK2F3131

RP18575

CHEBI:4608

CCRIS 2939

C08371

BDBM233038

Methyl disulfide (8CI)

WLN: 1SS1

3P8D642K5E

HSDB 6400

LS-1499

DTXSID4025117

NSC 9370

NSC-9370

OR000230

OR291634

CHEMBL1347061

Sulfa-hitech 0382

UN 2381

(1/4)x>>u paragraph signthornAoAN

(CH3S)2

UNII-3P8D642K5E

ZINC8221057

A833808

Dimethyl disulfide, >=99.0%

DSSTox_CID_5117

KB-76616

AN-22028

TL8004165

Dimethyl disulfide, >=98%, FG

DSSTox_GSID_25117

DSSTox_RID_77673

MFCD00008561

AI3-25305

TR-021489

RTR-021489

I09-0129

Q-100719

AKOS009157459

FEMA No. 3536

FT-0625135

METHYL, [(THIOMETHYL)THIO]-

Dimethyl disulfide, natural, >=98%, FG

EN300-36043

Tox21_201525

F0001-1676

624-92-0

NCGC00259075-01

NCGC00091798-02

NCGC00091798-01

MCULE-7451882535

EINECS 272-923-9

CAS-624-92-0

Dimethyl disulfide [UN2381] [Flammable liquid]

EINECS 210-871-0

Dimethyl disulfide [UN2381] [Flammable liquid]

MolPort-003-929-787

Dimethyl disulfide, purum, >=98.0% (GC)

224638-EP2371831A1

InChI=1/C2H6S2/c1-3-4-2/h1-2H

The Henry's Law constant for dimethyl disulfide is reported as 1.21X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl disulfide is expected to volatilize rapidly 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 3.5 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)(2) is estimated as 4.1 days(SRC). Dimethyl disulfide's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). In a laboratory study, the volatilization rate of dimethyl disulfide from a tidal marsh soil (at field capacity or 1.5 field capacity) ranged from 0.1 to 0.4 ng (sulfur basis)/min(3). Dimethyl disulfide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.7 mm Hg(4).
Literature: (1) Vitenberg AG et al; J Chromatography 112: 319-27 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Farwell SO et al; Soil Biol Biochem 11: 411-5 (1979) (4) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation. New York, NY: Hemisphere Pub Corp (1989)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethyl disulfide can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethyl disulfide is expected to have very high mobility in soil. Gas chromatographic studies with various air-dry and moist soils have shown that soil can sorb atmospheric, gas phase dimethyl disulfide(3). In one closed-system test, 17-94% of input dimethyl disulfide was sorbed by the soil in 10 min(3); in a 15-day test, dimethyl disulfide sorption was 101-306 ug sorbed/g soil(3). Soil microbes were found to be important for the gas phase sorption of dimethyl disulfide as 15-day sorption in sterilized soil was only 9-98 ug sorbed/g soil(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 7, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976)