acetylmethylcarbinol

Dimethylketol

Acethoin

acetoine

ROWKJAVDOGWPAT-UHFFFAOYSA-N

acetoin

NATURAL ACETOIN

Acetyl methyl carbinol

acetylmethyl-

beta-oxobutane

Methanol, acetylmethyl

3-Hydroxybutanone

b-oxobutane

Acetoin, analytical standard

DL-Acetoin

gamma-Hydroxy-beta-oxobutane

1-Hydroxyethyl methyl ketone

Methanol, acetylmethyl-

1-Hydroxethyl methyl ketone

2-Acetoin

Acetyl Methyl Carbinol, Natural

AC1L18NL

AC1Q1JA8

Acetoin (natural)

KSC490C7N

2,3-Butanolone

3-Hydroxy-2-butanone; Acetylmethylcarbinol

NSC7609

UN2621

2-hydroxy-3-oxobutane

3-hydroxy-2-oxobutane

3-hydroxyl-2-butanone

Acetoin, May exist as crystalline dimer

CTK3J0176

HMDB03243

HSDB 974

2-Hydroxy-3-butanone

3-hydroxy-2-butanone

3-hydroxy-2-butanone, hydroxybutanone

3-hydroxybutan-2-one

LS-164

NSC89727

RP18489

C00466

CCRIS 2918

LTBB004792

2-Butanol-3-one

3-Oxo-2-butanol

AK128843

CHEMBL3561873

DTXSID0024399

NSC 7609

NSC-7609

OR035239

OR108639

OR315616

UN 2621

Acetoin, >=96%, natural

CHEBI:15688

DSSTox_CID_4399

2-butanone, 3-hydroxy

3-hydroxy-butan-2-one

AB1002764

AN-45468

ANW-31250

DSSTox_GSID_24399

KB-32104

NSC-89727

SC-18553

DSSTox_RID_77389

LMFA12000020

MFCD00004521

MFCD00038696

AI3-03314

Butan-2-ol-3-one

DB-003392

RTR-018308

ST24042214

TR-018308

.gamma.-Hydroxy-.beta.-oxobutane

AKOS000121293

AKOS017278202

I09-0138

Q-200581

2-Butanone, 3-hydroxy-

BRN 0385636

FEMA No. 2008

FT-0621797

FT-0695713

Acetoin, natural, >=95%, FG

Tox21_302518

513-86-0

F0001-1338

PROPOXY, 1-METHYL-2-OXO-

(+/-)-Acetoin

Acetoin, >=96%, FCC, FG

Butan-2-one, 3-hydroxy-

MCULE-5374414264

NCGC00256914-01

CAS-513-86-0

EINECS 208-174-1

51555-24-9

52217-02-4

Acetyl methyl carbinol [UN2621] [Flammable liquid]

MolPort-001-785-644

Acetyl methyl carbinol [UN2621] [Flammable liquid]

(+/-)-3-Hydroxybutan-2-one

2-Butanone, 3-hydroxy- (8CI,9CI)

2-Butanone, 3-hydroxy-, (R)-

2-01-00-00870 (Beilstein Handbook Reference)

2-Butanone, 3-hydroxy-, (.+/-.)-

The Henry's Law constant for acetoin is estimated as 1.0X0-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that acetoin 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 2 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 28 days(SRC). Acetoin's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Acetoin is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.7 mm Hg(SRC), determined from a fragment constant method(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) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

The Koc of acetoin is estimated as 2(SRC), using a water solubility of 1.0X10+6 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that aetoin is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; The AQUASOL DATABASE of Aqueous Solubility. Ver 5. Tucson, AZ: Univ AZ, College of Pharmacy (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

METHYLSULFANYLMETHANE

Methanethiomethane

Dimethylsulphide

Methylthiomethane

dimethylsulfane

Dimethylsulfid

dimethylsulfide

Methylsulphide

Methylthiomethyl radical

Thiobismethane

(Methylthiomethylidyne)radical

methylsulfide

Dimethyl monosulfide

Thiopropane

dimethyl sulphide

Dimethyl thioether

Methyl monosulfide

QMMFVYPAHWMCMS-UHFFFAOYSA-N

reduced dimethyl sulfoxide

dimethyl sulfide

Methyl sulphide

Methyl thioether

Thiobis-methane

(Methylsulfanyl)methane

Methyl sulfide

REDUCED-DMSO

(methylthio)methane

Dimethyl sulfide, analytical standard

Dimethyl sulfoxide(Reduced)

Sulfure de methyle

(Methylsulfanyl)methane #

2-Thiapropane

2-Thiopropane

AC1L1ANN

Exact-S

Thiobis(methane)

ACMC-1BBLH

C2H6S

Dimethylsulfid [Czech]

Nat. Dimethyl Sulfide

Dimethyl sulfide (natural)

Methane, thiobis-

QS3J7O7L3U

KSC377G0P

Sulfide, methyl-

6873AF

CHEMBL15580

Dimethyl sulfide, >=99%

UN1164

UNII-QS3J7O7L3U

CTK2H7307

Dimethyl sulfide, 98%

HMDB02303

HSDB 356

M0431

[SMe2]

RP18263

Sulfure de methyle [French]

C00580

LTBB002388

(CH3)2S

DTXSID9026398

LS-2960

methyl sulphide, dimethyl sulphide, exact-S, thiobismethane

OR000121

OR337379

STL481894

UN 1164

A838342

CHEBI:17437

AN-23841

ANW-36574

KB-76628

SC-26847

Dimethyl sulfide, >=99%, FCC

MFCD00008562

AI3-25274

RTR-024212

TR-024212

AKOS009031411

I09-0087

Q-100810

BRN 1696847

Dimethyl sulfide, anhydrous, >=99.0%

FEMA No. 2746

FT-0603084

Methane, 1,1'-thiobis-

75-18-3

Dimethyl sulfide, 99% 250ml

MCULE-4525381422

Dimethyl sulfide, redistilled, >=99%, FCC, FG

EINECS 200-846-2

31533-72-9

Dimethyl sulfide [UN1164] [Flammable liquid]

Dimethyl sulfide, >=95.0% (GC)

Dimethyl sulfide, natural, >=99%, FCC, FG

MolPort-003-928-951

Dimethyl sulfide [UN1164] [Flammable liquid]

13741-EP2269977A2

13741-EP2277865A1

13741-EP2280006A1

13741-EP2284171A1

13741-EP2287153A1

13741-EP2298767A1

13741-EP2305656A1

13741-EP2308851A1

13741-EP2308873A1

13741-EP2311820A1

13741-EP2314576A1

13741-EP2314587A1

13741-EP2316836A1

13838-EP2292595A1

13838-EP2295409A1

13838-EP2295426A1

13838-EP2295427A1

13838-EP2295437A1

13838-EP2298775A1

13838-EP2311820A1

13838-EP2316836A1

18767-EP2270003A1

18767-EP2272832A1

18767-EP2277848A1

18767-EP2292576A2

18767-EP2292597A1

18767-EP2301933A1

18767-EP2305672A1

18767-EP2308510A1

18767-EP2308838A1

18767-EP2308877A1

18767-EP2311827A1

18767-EP2314576A1

18767-EP2314587A1

47704-EP2280006A1

47704-EP2311811A1

80926-EP2295426A1

80926-EP2295427A1

80926-EP2305687A1

Dimethyl sulfide, puriss., >=99.0% (GC)

InChI=1/C2H6S/c1-3-2/h1-2H

4-01-00-01275 (Beilstein Handbook Reference)

The Henry's Law constant for dimethyl sulfide has been measured as 1.61X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl sulfide 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 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 3 days(SRC). Dimethyl sulfides's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dimethyl sulfide from dry soil surfaces may exist(SRC) based upon a vapor pressure of 502 mm Hg(3).
Literature: (1) Gaffney, JS et al; Env Sci Tech 21: 519-23 (1987) (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. Vol 4. Design Inst Phys Prop Data, Amer Inst Chem Eng, NY, NY: Hemisphere Pub Corp (1989)

The Koc of dimethyl sulfide is estimated as 6.3(SRC), using a water solubility of 22,000 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dimethyl sulfide is expected to have very high mobility in soil.
Literature: (1) Suzuki T; J Comp-Aided Molec Des 5: 149-66 (1991) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm as of Oct 1, 2009. (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Air-dried, unsterilized moist, and sterilized moist soils exposed to air initially containing 500 ppm dimethyl sulfide adsorbed an avg of 32, 308, and 10 ug dimethyl sulfide/g soil, respectively, in 15 days(1). Time required for complete sorption of dimethyl sulfide by moist soil from air initially containing 100 ppm dimethyl sulfide: soil 1 (Weller) - 1st exposure 150 min, 2nd exposure 100 min, 3rd exposure 95 min; soil 2 (Harps) - 1st exposure 45 min, 2nd exposure 24 min, 3rd exposure 19 min(1). These data suggest that moist soils have a greater tendency to adsorb dimethyl sulfide than dry soils, and that microbial activity in moist soils may be responsible for greater adsorption(1). When natural gas containing 0.5 pounds of dimethyl sulfide per million cubic feet of gas was passed through a bed of pulverized, dry, montmorillonite clay, dimethyl sulfide exhibited a fast breakthrough (2 hours) and a fast build-up rate in effluent gas (85% of influent concn 4 hours after breakthrough), suggesting that dimethyl sulfide does not adsorb to dry soils(2).
Literature: (1) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976) (2) Williams RP; Oper Sect Proc - Am Gas Assoc pp. T29-T37 (1976)

Dimethylacetone

diathylketon

Diethylcetone

DIETHYLKETONE

Metacetone

Methacetone

FDPIMTJIUBPUKL-UHFFFAOYSA-N

Propione

dimethyl acetone

Ethyl propionyl

Diethyl ketone

DEK

diethylcetone(french)

Ethyl ketone

ethyl ethyl ketone

3-oxopentane

AC1L1OFJ

AC1Q2ROK

AC1Q5GYE

3-pentanon

3-PENTANONE

di-ethyl ketone

Pentanone-3

Diethylcetone [French]

UNII-Y4Y2BRI5UL component FDPIMTJIUBPUKL-UHFFFAOYSA-N

1,3-Dimethylacetone

3-Pentanone, analytical standard

9SLZ98M9NK

KSC492E6L

Pentan-3-one

3-Oxylatopentane-3-ylium

7317AF

CHEMBL45315

NSC8653

UN1156

UNII-9SLZ98M9NK

CTK3J2265

P0061

ACMC-209s6p

RP18460

HSDB 5301

WLN: 2V2

BBL027755

DTXSID6021820

NSC 8653

NSC-8653

OR034165

OR128391

OR245564

STL281851

UN 1156

(C2H5)2CO

1-pentan-3-one

3-Pentanone, >=99%

A845564

CHEBI:87755

DSSTox_CID_1820

ZINC1648158

AN-24339

ANW-40799

CJ-26591

DSSTox_GSID_21820

KB-33099

SC-75292

TRA0007787

BB_SC-6948

DSSTox_RID_76347

LMFA12000001

MFCD00009320

ZINC01648158

AI3-24337

LS-101912

RTR-030127

TR-030127

AKOS000119714

I14-4162

FT-0616299

96-22-0

Z234895377

Tox21_200677

F0001-2290

BUTYL, 1-METHYL-2-OXO-

CAS-96-22-0

3-Pentanone, for HPLC, 96%

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

MCULE-8236549739

NCGC00166068-01

NCGC00166068-02

NCGC00258231-01

EINECS 202-490-3

Diethyl ketone [UN1156] [Flammable liquid]

3-Pentanone, 99% 100ml

MolPort-001-770-065

26071-EP2314558A1

92820-EP2269986A1

92820-EP2272825A2

92820-EP2295414A1

92820-EP2305649A1

Diethyl ketone [UN1156] [Flammable liquid]

103051-EP2269986A1

103051-EP2287154A1

103051-EP2289879A1

103051-EP2298753A1

103051-EP2301918A1

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

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)

Furancarboxaldehyde

Furfurylaldehyde

Furfuraldehyde

furfuraldehydl

Furaldehydes

Furancarbonal

alpha-Furfuraldehyde

Furaldehyde

Pyroligneous vinegar

FURFURAL

Furfurale

Furfurol

Furfurole

HYBBIBNJHNGZAN-UHFFFAOYSA-N

Pyroligneous acids

Pyromucic aldehyde

Quakeral

2-Furancarboxaldehyde

2-Furylcarboxaldehyde

Fufural

Furale

Furole

Pyroligneous acid extract

2-furancarbaldehyde

2-Furankarbaldehyd

Fural

Furol

Furyl-methanal

2-Furfuraldehyde

alpha-Furole

Furfural, analytical reference material

Qo furfural

WOOD VINEGAR

2-Formylofuran

2-Furanaldehyde

2-Furancarbonal

2-Furylaldehyde

2-Furylmethanal

Artificial ant oil

2-Formylfuran

2-Furaldehyde

2-furaldehydl

2-furan-carboxaldehyde

AC1Q6PVV

Bran oil

Fuf ural

Furan-2-carboxaldehyde

furan-2-carboxaldehydl

Wood Tar

2-Furfural

furan-2 carbaldehyde

furan-2-carbaldehyde

2-furanal

2-FURANCARBOXALDEHYDE, ACS

Artificial oil of ants

2-Furil-metanale

2-Furyl-methanal

AC1L1OL7

Ant Oil, artificial

furan-2-aldehyde

Furfurale [Italian]

2-Formyl furan

DJ1HGI319P

EBD294

Furfural (natural)

KSC214C0J

UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N

.alpha.-Furole

LS-28

NSC8841

UN1199

UNII-DJ1HGI319P

2-Furankarbaldehyd [Czech]

CTK1B4104

F0073

Furfural, 99%

HSDB 542

QSPL 006

QSPL 102

U1199

2-Formylofuran [Polish]

AM81812

BIDD:ER0698

CHEMBL189362

RL06103

STR00358

C14279

CCRIS 1044

DSSTox_CID_647

Rcra waste number U125

WLN: T5OJ BVH

DTXSID1020647

HE000135

NSC 8841

NSC-8841

SBB004386

STL283124

2-Furil-metanale [Italian]

A845786

ACMC-20978u

CHEBI:34768

Nci-C56177

ZINC3861345

ANW-13660

BP-31002

DSSTox_GSID_20647

KB-24259

SC-18048

TRA0077688

Caswell No. 466

Caswell No. 904

DSSTox_RID_75709

MFCD00003229

ZINC03861345

AI3-04466

DB-003668

Furfural, ACS reagent, 99%

LS-162370

RTC-069695

ST50213385

AKOS000118907

EPA Pesticide Chemical Code 043301

EPA Pesticide Chemical Code 067206

I14-0911

RCRA waste no. U125

BRN 0105755

FEMA No. 2489

FEMA No. 2967

FEMA No. 2968

FT-0627134

98-01-1

I14-22069

Tox21_111114

Tox21_202191

Tox21_300170

F1294-0048

Furfural, >=98%, FCC, FG

Furfural, for synthesis, 98.0%

CAS-98-01-1

Furaldehydes [UN1199] [Poison]

Furfural, SAJ first grade, >=99.0%

MCULE-5757882837

NCGC00091328-01

NCGC00091328-02

NCGC00091328-03

NCGC00091328-04

NCGC00253954-01

NCGC00259740-01

EINECS 202-627-7

EINECS 232-450-0

39276-09-0

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

2-Furaldehyde, 98% 250g

Furaldehydes [UN1199] [Poison]

MolPort-000-871-210

72277-EP2277848A1

72277-EP2308867A2

72277-EP2308870A2

5-17-09-00292 (Beilstein Handbook Reference)

InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4

The Henry's Law constant for furfural is estimated as 3.8X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 2.21 mm Hg(1), and water solubility, 7.41X10+4 mg/L(2). This Henry's Law constant indicates that furfural 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 9.6 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)(3) is estimated as 73 days(SRC). Furfural's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of furfural from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 140 (2003) (3) 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 furfural is estimated as 40(SRC), using a log Kow of 0.41(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that furfural is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 11 (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)

OBNCKNCVKJNDBV-UHFFFAOYSA-N

Ethyl butanoate

ETHYL BUTYRATE

Ethyl Butyrate Natural

Butyric ether

Butyric ethee

Butyric ester

Butyric acid ethyl

Ethyl butyrate, analytical standard

Ethyl n-butyrate

Ethyl n-butanoate

Butanoicacid, ethyl ester

Butanoic acid ethyl ester

AC1L1PHR

Butanoic acid ethyl estee

Butyric acid ethyl estee

Butyric acid ethyl ester

Ethyl ester of butanoic acid

AC1Q2UI5

Nat. Ethyl Butyrate

Butanoic acid, ethyl ester

SCHEMBL6115

UFD2LZ005D

n-Butyric acid ethyl ester

Butyric acid, ethyl ester

KSC489Q2R

Ethyl butyrate (natural)

NSC8857

7520AF

CHEMBL44800

UNII-UFD2LZ005D

UN1180

CTK3I9828

HSDB 406

B0759

Ethyl butyrate, 99%

NE34239

RP19237

ACMC-2098gq

LTBB002248

WLN: 3VO2

ZINC404390

CCRIS 6554

DTXSID6040111

LS-2361

UN 1180

Jsp000519

NSC 8857

NSC-8857

FEMA Number 2427

OR033993

OR197129

ZB013520

OR197602

CHEBI:88764

ANW-15240

CJ-04029

AN-17343

DSSTox_GSID_40111

SC-26823

KB-77231

DSSTox_RID_79440

MFCD00009394

DSSTox_CID_20111

LMFA07010874

ZINC00404390

RTR-001152

TR-001152

AI3-18427

J-001444

AKOS008948342

I14-2578

FT-0623347

BRN 0506331

FEMA No. 2427

TRA-0207104

Tox21_300065

F0001-0107

105-54-4

NCGC00247893-01

NCGC00253968-01

Ethyl butyrate, >=98%, FCC, FG

MCULE-9977024136

CAS-105-54-4

EINECS 203-306-4

Ethyl butyrate [UN1180] [Flammable liquid]

Ethyl butyrate, natural, >=98%, FCC, FG

MolPort-001-783-797

Ethyl butyrate [UN1180] [Flammable liquid]

4-02-00-00787 (Beilstein Handbook Reference)

InChI=1/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H

The Henry's Law constant for ethyl n-butyrate is estimated as 4.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 14.0 mm Hg(1), and water solubility, 4,900 mg/L(2). This Henry's Law constant indicates that ethyl n-butyrate 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 5 days(SRC). Ethyl n-butyrate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of ethyl n-butyrate from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Compounds Am Inst Chem Eng (1995) (2) Riddick JA et al; Organic Solvents New York, NY: John Wiley & Sons Inc. (1984) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of ethyl n-butyrate can be estimated to be 20(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyl n-butyrate 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 13, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Metylopropyloketon

Ethylacetone

Methylpropyl ketone

Pentanone

XNLICIUVMPYHGG-UHFFFAOYSA-N

Ethyl acetone

METHYL PROPYL KETONE

Methyl-propyl-cetone

Propyl methyl ketone

Metylopropyloketon [Polish]

AC1L1PSR

AC1Q2UJA

2-pentanal

2-Pentanone

Methyl Propyl Ketone FCC

pentanone-2

3bh3

Methyl n-propyl ketone

n-propyl methyl ketone

AC1Q5CH9

UNII-Y4Y2BRI5UL component XNLICIUVMPYHGG-UHFFFAOYSA-N

2-Pentanone, analytical standard

KSC176A8R

Pentan-2-on

PENTAN-2-ONE

ACMC-1C29M

CHEMBL45345

n-C3H7COCH3

NSC5350

UN1249

CTK0H6088

HSDB 158

Methyl-propyl-cetone [French]

P0060

4-methyl-2-butanone

LS-442

RP18455

2-Pentanone (natural)

C01949

LTBB001864

WLN: 3V1

ZINC901192

DTXSID0021888

FEMA Number 2842

LP124906

NSC 5350

NSC-5350

OR034164

OR133565

OR133566

OR251179

UN 1249

ZB015252

A801775

CHEBI:16472

DSSTox_CID_1888

2-Pentanone, 90%

AN-42836

ANW-15861

CJ-04530

DSSTox_GSID_21888

I97392I10V

SC-22796

TRA0046903

DSSTox_RID_76386

LMFA12000003

MFCD00009400

ZINC00901192

AI3-32118

KB-174028

RTR-001876

TR-001876

UNII-I97392I10V

AKOS000121554

I11-0032

BRN 0506058

FEMA No. 2842

FT-0613263

2-Pentanone, reagent grade, >=90%

Tox21_201670

Tox21_303016

107-87-9

F0001-0145

MCULE-7174095676

NCGC00249095-01

NCGC00256617-01

NCGC00259219-01

2-Pentanone, ultrapure grade, >=99.5%

CAS-107-87-9

EINECS 203-528-1

2-Pentanone, 99% 25g

2-Pentanone, >=98%, FCC, FG

2-Pentanone, ReagentPlus(R), >=99%, purified by redistillation

Methyl propyl ketone [UN1249] [Flammable liquid]

MolPort-001-783-786

2-Pentanone, for HPLC, 99.5%

92819-EP2269986A1

92819-EP2287154A1

92819-EP2289879A1

92819-EP2305649A1

161716-EP2287158A1

Methyl propyl ketone [UN1249] [Flammable liquid]

4-01-00-03271 (Beilstein Handbook Reference)

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

The Henry's Law constant for 2-pentanone is 8.36X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 2-pentanone 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 12 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 6.6 days(SRC). 2-Pentanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Pentanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 35.4 mm Hg(3).
Literature: (1) Shiu WY, Mackay D; J Chem Eng Data 42: 22-30 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents: Physical Properties and Methods of Purification 4th ed. NY, NY: Wiley Interscience (1985)

The Koc of 2-pentanone is estimated as 75(SRC), using a log Kow of 0.91(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-pentanone is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 14 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Valerolactone

Gamma Valerolactone

gamma-Pentanolactone

gamma-Valerolactone

gamma-Valeryllactone

GAEKPEKOJKCEMS-UHFFFAOYSA-N

gamma-Pentalactone

gamma-Valerolakton

4-methylbutyrolactone

y-Valerolactone

gamma-Methyl-gamma-butyrolactone

gamma-Valerolactone, analytical standard

4-Pentalactone

4-Valerolactone

4-Hydroxypentanoic acid lactone

4-Pentanolide

AC1L1PUX

AC1Q2QQE

4-Hydroxyvaleric acid lactone

4-Methyl-gamma-butyrolactone

.gamma.-Pentanolactone

.gamma.-Valerolactone

.gamma.-Pentalactone

.gamma.-Valerolakton

5-Methyltetrahydro-2-furanone

5-methyltetrahydrofuran-2-one

gamma-Valerolakton [Czech]

KSC492E8F

Pentanolide-1,4

SCHEMBL37255

4-Methyl-4-hydroxybutanoic acid lactone

CTK3J2282

(R)-?-VALEROLACTONE

5-methyloxolan-2-one

ACMC-2098zm

CHEMBL195593

NE10397

NSC33700

4-Methyl-.gamma.-butyrolactone

CCRIS 3597

Dihydro-5-methyl-2-furanone

AK117314

BBL011475

DTXSID0047618

HE000158

HE094925

HE149712

HE149713

HE294175

Jsp000712

LS-3151

STL146587

CHEBI:48569

Pentanoic acid, .gamma.-lactone

AN-22505

ANW-15920

DSSTox_GSID_47618

NSC 33700

NSC-33700

SC-19108

.gamma.-Methyl-.gamma.-butyrolactone

4-Hydroxypentanoic acid, .gamma.-lactone

5-methyl-dihydro-furan-2-one

BB_SC-7058

BDBM50168010

DSSTox_CID_27618

DSSTox_RID_82456

LMFA07040008

MFCD00005400

5-Methyldihydro-2(3H)-furanone

5-methyldihydrofuran-2(3H)-one

AI3-04327

DB-003681

KB-246622

RTR-001925

ST24029532

TR-001925

AKOS005206963

I14-1390

J-002085

BRN 0080420

FEMA No. 3103

FT-0605160

FT-0626628

gamma-Valerolactone, ReagentPlus(R), 99%

gamma-Valerolactone, natural, 95%, FG

Pentanoic acid, 4-hydroxy-, gamma-lactone

(R)-I(3)-Valerolactone

5-Methyldihydro-2(3H)-furanone #

AZ0001-0023

DIHYDRO-5-METHYL-2(3H)-FURANONE

Dihydro-5-methylfuran-2(3H)-one

EN300-61318

gamma-Valerolactone, >=99%, FCC, FG

Tox21_302624

Valeric acid, 4-hydroxy-, gamma-lactone

108-29-2

F0001-0163

Z1251171283

gamma-Valerolactone, Vetec(TM) reagent grade, 98%

MCULE-3014789527

NCGC00256671-01

CAS-108-29-2

dihydro-5-methyl-2(3H)-furanone,

EINECS 203-569-5

57129-69-8

2-FURANYL, TETRAHYDRO-2-METHYL-5-OXO-

Pentanoic acid, 4-hydroxy-, .gamma.-lactone

2(3H)-Furanone, dihydro-5-methyl-

MolPort-003-939-842

Valeric acid, 4-hydroxy-, .gamma.-lactone

2(3H)-Furanone, dihydr-5-methyl-

(.+/-.)-4-Methylbutyrolactone

148666-EP2289879A1

148666-EP2374895A1

4,5-Dihydro-5-methyl-2(3H)-furanone

(.+/-.)-.gamma.-Valerolactone

5-17-09-00024 (Beilstein Handbook Reference)

2(3H)-Furanone, dihydro-5-methyl-, (.+/-.)-

ZPVFWPFBNIEHGJ-UHFFFAOYSA-N

RRAHBRHPVGNOSF-UHFFFAOYSA-N

Octanone

sec-Octanone

Hexyl methyl ketone

Methyl hexyl ketone

Metyhl Hexyl Ketone

octanone-2

2-Oxooctane

2-OCTANONE

2-octanon

Methyl n-hexyl ketone

n-Hexyl methyl ketone

AC1L1Q8Z

AC1Q2VT2

AC1Q5CI1

2-Octanone, analytical standard

ACMC-1BZO5

octane-2-oxide

Octan-2-one

octan-7-one

KSC176M5B

I854

2- octanone

SCHEMBL43776

NSC5936

CHEMBL18549

NSC3712

J2G84H29AF

O0038

CTK0H6650

NE10661

n-C6H13COCH3

RP19810

UNII-J2G84H29AF

2-octanone(Methyl Hexyl Ketone)

HSDB 5545

NSC-3712

NSC 3712

BBL011429

NSC-5936

SBB060387

AK116913

LS-2999

LP003936

2-Octanone (natural)

Jsp000838

STL146536

DTXSID4021927

FEMA Number 2802

A802298

ZINC1672808

CHEBI:87434

KB-69438

CJ-06140

CJ-27197

DA-16705

TRA0044944

AJ-29261

ANW-16240

AN-22644

MFCD00009540

BB_SC-6900

ACN-S002377

ZINC01672808

LMFA12000054

BDBM50028815

TR-002225

ST51046577

ST24031492

RTR-002225

AI3-05617

AKOS005720775

J-002527

I14-5856

FT-0613243

FEMA No. 2802

BRN 0635843

EN300-20060

2-Octanone, reagent grade, 98%

2-Octanone, >=98%, FG

111-13-7

MCULE-1152821440

EINECS 203-837-1

2-Octanone, natural, 98%, FG

MolPort-001-787-588

4-01-00-03339 (Beilstein Handbook Reference)

InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H

The Henry's Law constant for 2-octanone was measured as 1.88X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that 2-octanone 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 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 6 days(SRC). In water, 2-octanone had a measured volatilization flux of 40 g/min/sq m and a gas-film coefficient ratio of 0.554 at 20 deg C, indicating that volatilization from water does occur but that some attenuation of this process may be seen due to the gas-film interface(4). 2-Octanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Octanone is expected to volatilize from dry soil surfaces(SRC), based upon a vapor pressure of 1.35 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; in Organic Solvents: Physical Properties and Methods of Purification. Techniques of Chemistry. 4th ed. NY,NY: Wiley-Interscience. 2: 352 (1986) (4) Rathbun RE, Tai DY; Chemosphere 13: 1009-23 (1984)

The Koc of 2-octanone is estimated as 460(SRC), using a measured log Kow of 2.37(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-octanone is expected to have moderate mobility in soil(SRC).
Literature: (1) Hansch L et al; p. 49 in Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Amer Chem Soc, Washington, DC (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)

isopropylmethylketone

methylisopropylketone

Methylbutanone

methylisopropyl ketone

SYBYTAAJFKOIEJ-UHFFFAOYSA-N

Isopropyl methyl ketone

isopropyl-methyl ketone

Methyl isopropyl ketone

methyl-isopropyl ketone

MIPK

3-Methylbutanone

2-Acetylpropane

AC1L1WYB

Ketone, isopropyl methyl

Methylbutanone (Related)

Methyl butanone-2

V8DP6THY5O

2-Acetyl propane

AC1Q1O1O

Methylbutanone (VAN)

UNII-Y4Y2BRI5UL component SYBYTAAJFKOIEJ-UHFFFAOYSA-N

ACMC-1AM5U

UNII-V8DP6THY5O

iso-C3H7COCH3

KSC271M7L

NSC9379

UN2397

CTK1H1675

M0173

2-Methyl-3-butanone

2-Methyl-3-oxobutane

2-Methylbutan-3-one

3-methyl-2 butanone

3-METHYL-2-BUTANONE

3-Methylbutan-2-one

3-methylbutane-2-one

RP18451

3-methyl 2-butanal

HSDB 7915

LTBB002997

3-Methyl-2-butanone;Methyl-isopropyl ketone

CHEMBL3183920

DTXSID0022062

NSC 9379

NSC-9379

OR034253

OR111649

OR274988

UN 2397

WLN: 1Y1&V1

3-Methyl-2-butanone, analytical standard

A831026

DSSTox_CID_2062

ZINC1699949

2-methyl-butan-3-one

3-methyl-butan-2-one

AN-23705

ANW-32500

BP-20359

Caswell No. 555A

CJ-06659

CJ-28651

DSSTox_GSID_22062

KB-70949

LS-46827

SC-18478

TRA0073101

DSSTox_RID_76478

LMFA12000024

MFCD00008919

ZINC01699949

AI3-24194

DB-003933

RTR-019801

TR-019801

AKOS000119454

EPA Pesticide Chemical Code 044104

I14-0277

J-512893

2-Butanone, 3-methyl-

FT-0616059

FT-0659813

2-BUTANONE,3-METHYL METHYL ISOPROPYL KETONE

Tox21_201720

Tox21_302856

563-80-4

F1908-0070

3-Methyl-2-butanone, 99%

MCULE-5982732938

NCGC00249104-01

NCGC00256399-01

NCGC00259269-01

CAS-563-80-4

EINECS 209-264-3

52325-52-7

PROPYL, 1,1-DIMETHYL-2-OXO-

MolPort-001-768-912

94036-EP2374454A1

133917-EP2269986A1

133917-EP2275407A1

133917-EP2281821A1

133917-EP2295430A2

133917-EP2295431A2

152546-EP2289897A1

3-Methyl-2-butanone, 98% 250ml

3-Methylbutan-2-one [UN2397] [Flammable liquid]

3-Methylbutan-2-one [UN2397] [Flammable liquid]

3-Methyl-2-butanone, puriss., >=98.5% (GC)

InChI=1/C5H10O/c1-4(2)5(3)6/h4H,1-3H

The Henry's Law constant for methyl isopropyl ketone is estimated as 1.13X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 52.2 mm Hg(1), and water solubility, 5.24X10+4 mg/L(2). This Henry's Law constant indicates that methyl isopropyl ketone 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 5.8 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 5.9 days(SRC). Methyl isopropyl ketone's (estimated) Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl isopropyl ketone from dry soil surfaces may exist(SRC) based upon a vapor pressure of 52.2 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and thermodynamic properties of pure chemicals: data compilation. Washington, DC: Taylor & Francis (1989) (2) Yalkowsky SH, He Y; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p.165 (2003) (3) 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 methyl isopropyl ketone is estimated as 38(SRC), using a log Kow of 0.84(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl isopropyl ketone is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 14 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2010. Available from, as of Feb 15, 2011: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Propylacetone

QQZOPKMRPOGIEB-UHFFFAOYSA-N

Hexanone

2-hexanone_GurudeebanSatyavani

MBK|

MNBK

MBK

Butyl methyl ketone

Methyl butyl ketone

hexane one

2-Oxohexane

Hexanone-2

2-HEXANONE

2-hexanal

Methyl N-butyl ketone

methyl-4-pentanone

n-Butyl methyl ketone

Ketone, butyl methyl

AC1L1XO0

2-Hexanone, analytical standard

6QDY60NH6N

AC1Q2V81

Butanone, ethyl-

2 -hexanone

KSC223M0P

hexane-2-one

Hexan-2-one

SCHEMBL43282

UNII-6QDY60NH6N

7510AF

n-C4H9COCH3

HMDB05842

HSDB 543

CTK1C3607

STR04219

CHEMBL195861

2-Hexanone Methyl n-butyl ketone

ACMC-209mb7

RP18709

CCRIS 8810

DTXSID0022068

OR010868

LP027947

BBL011434

STL146542

SBB061262

OR290906

ZINC2034597

A832195

A801945

CHEBI:89206

AN-21543

ANW-33185

CJ-31901

LS-75436

CJ-07522

MFCD00009482

BB_SC-6917

LMFA12000048

ZINC02034597

KB-171983

ST51047300

DB-003271

TR-020540

RTR-020540

J-509559

I14-4180

AKOS000118992

FT-0612492

BRN 1737676

TRA-0205942

2-Hexanone, reagent grade, 98%

F0001-1552

591-78-6

MCULE-3554390184

EINECS 209-731-1

30637-87-7

2-Hexanone, 98% 10g

MolPort-001-759-240

74377-EP2281821A1

74377-EP2269986A1

74377-EP2308857A1

74377-EP2380568A1

26072-EP2314558A1

74378-EP2308857A1

26072-EP2287159A1

2-Hexanone, purum, >=96.0% (GC)

4-01-00-03298 (Beilstein Handbook Reference)

InChI=1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H