2-Dodecanone

Dodecan-2-one

6175-49-1

Decyl methyl ketone

METHYL DECYL KETONE

Dodecanone-(2)

MFCD00015064

P5CN8YSV3P

CHEBI:89284

EINECS 228-222-5

UNII-P5CN8YSV3P

n-DECYL METHYL KETONE

AI3-28136

2-Dodecanone, 95%

SCHEMBL103221

CHEMBL2228472

DTXSID4022236

2-Dodecanone, >=97.0% (GC)

LMFA12000163

AKOS009158766

MCULE-3936750617

NCGC00166062-01

AS-14475

2-Dodecanone, analytical reference material

CS-0314654

D1862

NS00022516

D89937

A833406

Q27161470

Heptadecan-2-one

2-HEPTADECANONE

2922-51-2

2-Heptodecanone

Methyl pentadecyl ketone

PACOCH3

2-heptadeconone

01M5W012RI

Pentadecyl Methyl Ketone

UNII-01M5W012RI

SCHEMBL161232

SCHEMBL2803236

CHEMBL3273575

DTXSID6075061

Heptadeca-2-one 2-Heptadecanone

CHEBI:188010

LMFA12000046

MFCD00026615

2-Heptadecanone, >=99.0% (GC)

AKOS016009823

MCULE-2820432182

NS00125522

F87271

J-017444

Q27231437

2-CYCLOPENTEN-1-ONE

930-30-3

2-Cyclopentenone

cyclopent-2-en-1-one

Cyclopent-2-enone

Cyclopentenone

Cyclopenten-3-one

2-Cyclopentene-1-one

28982-58-3

3-Cyclopenten-2-one

Q0U2IGF9CK

MFCD00001401

NSC-73117

cyclopent-2-ene-1-one

Cyclopenten-2-one

UNII-Q0U2IGF9CK

Cyclopenten-3-one (VAN)

cis-cyclopentenone

EINECS 213-213-0

2-Cyclopentenone-1

NSC 73117

2-cylcopenten-1-one

2-cyclopenten-1- one

1-CYCLOPENTEN-3-ONE

1-CYCLOPENTEN-5-ONE

CHEMBL52190

2-Cyclopenten-1-one, 98%

DTXSID60870802

CHEBI:141550

NSC73117

BBL100014

STL183308

AKOS000121108

AKOS025243944

AM61702

CS-W011359

HY-W010643

MCULE-1844779047

PS-9373

SB40642

DB-031967

NS00041822

EN300-24545

A844427

J-520173

Q2292678

F0001-2242

InChI=1/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H

2,3-PENTANEDIONE

pentane-2,3-dione

600-14-6

Acetylpropionyl

Acetyl propionyl

2,3-Pentadione

Acetylpropionyl (VAN)

FEMA No. 2841

2,3-pentane-dione

Pentan-2,3-dione

ethyl methyl diketone

K4WBE45SCM

CH3C(O)C(O)C2H5

CHEBI:52774

NSC-7613

MFCD00009313

Acetyl propionyl (natural)

2,3-pentandione

CCRIS 2946

NSC 7613

EINECS 209-984-8

UNII-K4WBE45SCM

BRN 1699638

2,3,-pentanedione

23-PENTANEDIONE

2,3-Pentanedione, 97%

4-01-00-03660 (Beilstein Handbook Reference)

Acetylpropionyl; NSC 7613

SCHEMBL106990

CHEMBL192809

DTXSID6051435

BDBM22765

FEMA 2841

HSDB 8326

2,3-PENTANEDIONE [FCC]

AMY4046

NSC7613

2,3-PENTANEDIONE [FHFI]

2,3-Pentanedione, analytical standard

AKOS009156847

CS-W013714

HY-W012998

MCULE-3065014067

2,3-Pentanedione, >=96%, FCC, FG

PD164983

2,3-Pentanedione, natural, >=96%, FG

DB-003231

NS00013104

P0051

EN300-39756

Q-100694

Q19903182

InChI=1/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H

The Henry's Law constant for 2,3-pentanedione is estimated as 3.95X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 20 mm Hg(1), and water solubility, 6.67X10+4 mg/L(2). This Henry's Law constant indicates that 2,3-pentanedione 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 16 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 11 days(SRC). 2,3-Pentanedione's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 2,3-pentanedione from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) US Occupational Safety & Health Administration; Chemical Sampling Information. 2,3-Pentanedione. Available from, as of June 9, 2016 https://www.osha.gov/dts/chemicalsampling/data/CH_260240.html (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 9, 2016: http://www2.epa.gov/tsca-screening-tools (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 2,3-pentanedione can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,3-pentanedione 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 June 9, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

MESITYL OXIDE

141-79-7

4-Methylpent-3-en-2-one

4-Methyl-3-penten-2-one

3-Penten-2-one, 4-methyl-

Methyl isobutenyl ketone

Isopropylideneacetone

Isobutenyl methyl ketone

Mesityloxid

Mesityloxyde

Ossido di mesitile

3-Isohexen-2-one

Isopropylidene acetone

Oxyde de mesityle

Acetone, isopropylidene-

Methyl 2-methyl-1-propenyl ketone

Methyl 2,2-dimethylvinyl ketone

2-Methyl-4-oxo-2-pentene

2-Methyl-2-pentenone-4

2,2-Dimethylvinyl methyl ketone

4-Metil-3-penten-2-one

4-Methyl-3-pentene-2-one

4-Methyl-3-penten-2-on

2-Methyl-2-penten-4-one

FEMA No. 3368

NSC 38717

4-Methyl-3-penten-2-one, 9CI

4-methyl-pent-3-en-2-one

DTXSID1029170

CHEBI:89993

(CH3)2C=CHC(=O)CH3

NSC-38717

77LAC84669

DTXCID209170

Mesityloxid [German]

Mesityloxyde [Dutch]

Caswell No. 547

FEMA Number 3368

Oxyde de mesityle [French]

CAS-141-79-7

Ossido di mesitile [Italian]

HSDB 1195

EINECS 205-502-5

4-Metil-3-penten-2-one [Italian]

UN1229

EPA Pesticide Chemical Code 052401

BRN 1361550

4-Methyl-3-penten-2-on [Dutch, German]

AI3-07702

UNII-77LAC84669

Mesityloxid(german)

MFCD00008900

Isopropylidene-Acetone

Mesityl oxide [UN1229] [Flammable liquid]

EC 205-502-5

2-methylpent-2-en-4-one

MESITYL OXIDE [MI]

1-Methylpent-2-en-4-one

MESITYL OXIDE [HSDB]

CHEMBL3185916

FEMA 3368

WLN: 1Y1 & U1V1

4-Methyl-3-penten-2-one, 90%

AMY23356

NSC38717

Tox21_202080

Tox21_303606

LMFA12000030

STL146350

Mesityl oxide, technical grade, 90%

AKOS000118892

MCULE-4922478422

UN 1229

NCGC00249161-01

NCGC00257514-01

NCGC00259629-01

4-Methyl-3-penten-2-one (mesityl oxide)

4-Methyl-3-penten-2-on(DUTCH, GERMAN)

4-METHYL-3-PENTENE-2-ONE [FHFI]

M0069

M1340

NS00006985

TEICOPLANIN IMPURITY A [EP IMPURITY]

3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE

EN300-21333

Mesityl oxide [UN1229] [Flammable liquid]

3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE

A807813

CILASTATIN SODIUM IMPURITY D [EP IMPURITY]

Q425668

Q-201356

4-Methyl-3-penten-2-one, analytical reference material

Mesityl oxide, 90%, remainder 4-methyl-4-penten-2-one

InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H

Mesityl oxide, European Pharmacopoeia (EP) Reference Standard

4-Methylpent-3-en-2-one; Mesityl oxide; Cilastatin Sodium Imp. D (EP)

Mesityl Oxide, Pharmaceutical Secondary Standard; Certified Reference Material

Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98%

The Henry's Law constant for mesityl oxide is estimated as 3.67X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 8.21 mm Hg(1), and water solubility, 28,900 mg/L(2). This Henry's Law constant indicates that mesityl oxide 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 17 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 11 days(SRC). Mesityl oxide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of mesityl oxide from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner DP; Physical & Thermodynamic Properties of Pure Chemicals Vol. 3 NY: Hemisphere Pub Corp (1989) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 285 (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 mesityl oxide is estimated as 15(SRC), using a water solubility of 28,900 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that mesityl oxide is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 285 (2003) (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)