Hexanophenone

942-92-7

1-phenylhexan-1-one

Caprophenone

1-Phenyl-1-hexanone

Amyl phenyl ketone

n-Hexanophenone

Pentyl phenyl ketone

1-Hexanone, 1-phenyl-

Hexaphenone

1-phenyl-hexan-1-one

MFCD00009512

1-Benzoylpentane

NSC8480

n-Amylphenyl ketone

NSC 8480

EINECS 213-394-6

Hexanophenone, 99%

n-Pentyl phenyl ketone

AI3-01378

Hexanophenone, >=99%

SCHEMBL50000

DTXSID4061335

NSC-8480

AKOS000121447

MCULE-4945537209

AS-56450

SY048592

DB-057484

CS-0152336

H0116

NS00040378

EN300-21120

F21443

Q63409590

1-Phenylbutan-2-one

1-PHENYL-2-BUTANONE

1007-32-5

Benzyl ethyl ketone

2-Butanone, 1-phenyl-

ethyl benzyl ketone

1-phenyl-butan-2-one

1AKG6904VP

MFCD00009315

NSC-133447

2-Butanone, phenyl-

phenylbutanone

UNII-1AKG6904VP

EINECS 213-752-1

1-(phenyl)-butanone

NSC 133447

SCHEMBL43241

1-Phenyl-2-butanone, 98%

DTXSID60143462

AMY25509

NSC133447

AKOS009031193

MCULE-7523781698

SY013451

CS-0112591

NS00015529

P0971

EN300-21394

Q27252157

InChI=1/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H

1-Phenylhexan-2-one

25870-62-6

1-PHENYL-2-HEXANONE

Benzyl Butyl Ketone

2-Hexanone, 1-phenyl-

Benzyl n-butyl ketone

1-phenyl-hexan-2-one

MFCD00027240

phenyl hexanone

NSC15336

EINECS 247-306-2

1-phenyl-2 -hexanone

AI3-24765

SCHEMBL330291

DYQAZJQDLPPHNB-UHFFFAOYSA-

CHEBI:145957

DTXSID301315661

NSC 15336

NSC-15336

AKOS009157724

MCULE-3101369672

AS-81244

SY048304

DB-046784

B1030

CS-0152391

NS00049034

D88735

A877449

InChI=1/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3

Phenylacetone

1-phenylpropan-2-one

1-Phenyl-2-propanone

103-79-7

Benzyl methyl ketone

Methyl benzyl ketone

Phenyl-2-propanone

1-Phenylacetone

2-Propanone, 1-phenyl-

3-Phenyl-2-propanone

Phenylmethyl methyl ketone

phenyl acetone

1-phenyl-propan-2-one

136675-26-8

phenylaceton

O7IZH10V9Y

CHEMBL3800510

NSC-9827

NSC 9827

Phenylacetone, 99%

EINECS 203-144-4

UNII-O7IZH10V9Y

(phenyl)acetone

AI3-02938

DEA No. 8501

methylbenzyl ketone

phenyl 2-propanone

1-phenyl propanedione

1-Phenylpropane-2-one

PHENYLACETONE [MI]

SCHEMBL43943

ghl.PD_Mitscher_leg0.660

DTXSID1059280

SCHEMBL13341529

CHEBI:52052

HSDB 8385

NSC9827

Phenylacetone, analytical standard

BCP22277

BDBM50167968

STL373560

AKOS004905656

MCULE-2102027204

NS00017966

A800807

Q418831

AMFETAMINE SULFATE IMPURITY B [EP IMPURITY]

InChI=1/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H

The Henry's Law constant for phenyl 2-propanone is estimated as 4.0X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that phenyl 2-propanone 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 7 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 80 days(SRC). Phenyl 2-propanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Phenyl 2-propanone has an estimated vapor pressure of 0.16 mm Hg(SRC), determined from a fragment constant method(3) and exists as a liquid under environmental conditions; therefore, phenyl 2-propanone may volatilize from dry soil.

The Koc of phenyl 2-propanone is estimated as 80(SRC), using a log Kow of 1.44(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that phenyl 2-propanone is expected to have high mobility in soil.

100-45-8

3-Cyclohexene-1-carbonitrile

4-Cyano-1-cyclohexene

4-Cyanocyclohexene

cyclohex-3-enecarbonitrile

3-Cyclohexenecarbonitrile

3-Cyclohexenyl cyanide

1-Cyano-3-cyclohexene

cyclohex-3-ene-1-carbonitrile

Cyclohex-3-enenitrile

3-Cyklohexenylkyanid

D65GN9AVCH

NSC-7407

3-Cyklohexenylkyanid [Czech]

4-Cyanocyclohexene-1

1,2,5,6-Tetrahydrobenzonitrile

NSC 7407

UNII-D65GN9AVCH

BRN 0636074

AI3-08635

NSC7407

Tetrahydrobenzonitrile

4-Cyclohexenecarbonitrile

WLN: L6UTJ DCN

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

SCHEMBL167234

3-aCyclohexene-a1-acarbonitrile

1,2,3,6-Tetrahydrobenzonitrile

DTXSID70861706

MFCD00013778

AKOS006229199

AS-47878

NS00096253

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

F16653

Q22079568

4-Methyl-2-pentanone

METHYL ISOBUTYL KETONE

4-Methylpentan-2-one

108-10-1

Isopropylacetone

Isobutyl methyl ketone

MIBK

Hexone

2-Pentanone, 4-methyl-

4-Methyl-2-oxopentane

Methylisobutylketon

Isohexanone

2-Methyl-4-pentanone

Shell mibk

Metilisobutilchetone

Metyloizobutyloketon

Hexon

Isobutyl-methylketon

2-Methylpropyl methyl ketone

Isopropyl acetone

Methyl-isobutyl-cetone

4-Methyl-2-pentanon

4-Metilpentan-2-one

Ketone, isobutyl methyl

4-Methyl-pentan-2-on

Caswell No. 574AA

4-Methyl-pentan-2-one

FEMA No. 2731

FEMA Number 2731

methylisobutylketone

Rcra waste number U161

NSC 5712

METHYL ISO-BUTYL KETONE

CCRIS 2052

HSDB 148

4-Methyl-2-pentanone (natural)

UNII-U5T7B88CNP

EINECS 203-550-1

U5T7B88CNP

EPA Pesticide Chemical Code 044105

methyl isobutylketone

BRN 0605399

2-Methyl-4-pentanal

Methyl I-butyl ketone

ethyl iso-butyl ketone

AI3-01229

NSC-5712

MFCD00008938

Methyl isobutyl ketone [NF]

DTXSID5021889

CHEBI:82344

EC 203-550-1

4-01-00-03305 (Beilstein Handbook Reference)

Hexon [Czech]

Methyl isobutyl ketone (NF)

MIK

methylisobutyl ketone

4-Methyl-2-pentanone, >=99%

METHYLISOBUTYLKETONE (USP-RS)

METHYLISOBUTYLKETONE [USP-RS]

METHYL ISOBUTYL KETONE (IARC)

METHYL ISOBUTYL KETONE [IARC]

METHYL ISOBUTYL KETONE (MART.)

METHYL ISOBUTYL KETONE [MART.]

METHYL ISOBUTYL KETONE (USP-RS)

METHYL ISOBUTYL KETONE [USP-RS]

Isobutyl-methylketon [Czech]

Metyloizobutyloketon [Polish]

isobutylmethyl ketone

Metilisobutilchetone [Italian]

4-Methyl-2-pentanon [Czech]

Methyl-isobutyl-cetone [French]

4-Metilpentan-2-one [Italian]

4-methyl 2-pentanone

Methylisobutylketon [Dutch, German]

UN1245

RCRA waste no. U161

4-Methyl-pentan-2-on [Dutch, German]

methylisobutyketone

isobutylmethylketone

methylisobutlyketone

i-BuCOMe

methylisobutyl keton

methylisobutyl-keton

Methylpentan-2-one

iso-butylmethylketone

methyl-isobutylketone

4-methyl-2pentanone

methy isobutyl ketone

methyl isobutyl keton

methyl iso-butylketone

methyl-iso-butylketone

methyl-isobutyl ketone

4-methylpentane-2-one

iso-C4H9COCH3

Methyl-2-pentanon,4-

4-methyl- 2-pentanone

MIBK [INCI]

methyl 2-methylpropyl ketone

SCHEMBL15458

ISOPROPYLACETONE [MI]

4-Methyl-2-pentanone(MIBK)

CHEMBL285323

DTXCID701889

SCHEMBL13341539

NSC5712

Methyl isobutyl ketone, ACS grade

AMY11098

4-Methyl-2-pentanone, HPLC Grade

Methylisobutylketon(DUTCH, GERMAN)

Tox21_201108

WLN: 1Y1 & 1V1

4-METHYL-2-PENTANONE [FCC]

LMFA12000033

METHYL ISOBUTYL KETONE [HSDB]

4-METHYL-2-PENTANONE [FHFI]

AKOS000118793

4-Methyl-2-pentanone, AR, >=99%

4-Methyl-2-pentanone, LR, >=99%

MCULE-2172909634

UN 1245

4-Methyl-2-pentanone, >=99%, FCC

NCGC00091475-01

NCGC00091475-02

NCGC00258660-01

4-Methyl-pentan-2-on(DUTCH, GERMAN)

BP-13453

CAS-108-10-1

4-Methyl-2-pentanone, analytical standard

>99.5%(GC)

M0389

NS00009293

4-Methyl-2-pentanone, technical grade, 95%

4-Methyl-2-pentanone, for HPLC, >=99.5%

C19263

D04989

4-Methyl-2-pentanone, ACS reagent, >=98.5%

A801806

Q418104

4-Methyl-2-pentanone, SAJ first grade, >=99.0%

J-515799

Methyl isobutyl ketone, p.a., ACS reagent, 98.5%

Q-200495

2-PENTANONE,4-METHYL METHYL,ISOBUTYL,KETONE

4-Methyl-2-pentanone, JIS special grade, >=99.5%

ISOBUTYL METHYL KETONE (METHYL ISOBUTYL KETONE)

Methyl isobutyl ketone [UN1245] [Flammable liquid]

F1908-0087

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

4-Methyl-2-pentanone, puriss. p.a., ACS reagent, >=99.0% (GC)

4-Methyl-2-pentanone, puriss., ACS reagent, reag. Ph. Eur., 99.0%

4-Methyl-2-pentanone, suitable for atomic absorption spectrometry, >=99.5%

ALFA-[(PHENYLMETHOXY)CARBONYL]OXY-1-PIPERIDINEACETICACIDMETHYLESTER

Methyl isobutyl ketone, United States Pharmacopeia (USP) Reference Standard

Methyl Isobutyl Ketone, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for methyl isobutyl ketone is estimated as 1.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 19.9 mm Hg(1), and water solubility, 19,000 mg/L (2). This Henry's Law constant indicates that methyl isobutyl 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 9 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 6 days(SRC). Methyl isobutyl ketone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl isobutyl ketone from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. NY,NY: Hemisphere Pub Corp (1989) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility Ver 5. Univ Ariz Tucson AR (1992) (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 isobutyl ketone is estimated as 120(SRC), using a log Kow of 1.31(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl isobutyl 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. 24 (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)

5-METHYL-2-HEXANONE

110-12-3

5-Methylhexan-2-one

2-Hexanone, 5-methyl-

Isoamyl methyl ketone

Isopentyl methyl ketone

Methyl isoamyl ketone

MIAK

2-Methyl-5-hexanone

Ketone, methyl isoamyl

Methyl isopentyl ketone

Isobutylacetone

(CH3)2CHCH2CH2COCH3

3-Methylbutyl methyl ketone

DTXSID5021914

CHEBI:88432

6O4A4A5F28

MFCD00008950

5-Methyl-2-hexanone, 99%

DTXCID801914

CAS-110-12-3

HSDB 2885

5-Methyl-hexan-2-one

EINECS 203-737-8

UN2302

BRN 0506163

UNII-6O4A4A5F28

methylisoamyl ketone

2-hexanone-5-methyl

methyl iso-amyl ketone

EC 203-737-8

SCHEMBL35996

4-01-00-03329 (Beilstein Handbook Reference)

CHEMBL45354

5-Methylhexan-2-one [UN2302] [Flammable liquid]

METHYL-2-HEXANONE, 5-

Tox21_201346

Tox21_302906

5-METHYL-2-HEXANONE [HSDB]

LMFA12000037

AKOS000119819

UN 2302

NCGC00249030-01

NCGC00256572-01

NCGC00258898-01

DB-040899

I0087

NS00010079

EN300-19620

J-517759

Q2152381

5-Methylhexan-2-one [UN2302] [Flammable liquid]

InChI=1/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H

The Henry's Law constant for 5-methyl-2-hexanone is estimated as 1.6X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 5.77 mm Hg(1), and water solubility, 5400 mg/L(2). This Henry's Law constant indicates that 5-methyl-2-hexanone 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 10 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 6.2 days(SRC). 5-Methyl-2-hexanone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 5-methyl-2-hexanone from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Alarie Y et al; Toxicol Appl Pharmacol 134: 92-99 (1995) (2) Amoore JE, Hautala E; J Appl Toxicol 3: 272-90 (1983) (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 5-methyl-2-hexanone is estimated as 250(SRC), using a log Kow of 1.88(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 5-methyl-2-hexanone is expected to have moderate 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. 35 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

2,5-HEXANEDIONE

Acetonylacetone

110-13-4

Hexane-2,5-dione

1,2-Diacetylethane

2,5-Diketohexane

Diacetonyl

Acetonyl acetone

2,5-Hexadione

Acetone, acetonyl-

2,5-Hexandione

2,5-Dioxohexane

alpha,beta-Diacetylethane

NSC 7621

.alpha.,.beta.-Diacetylethane

NSC-7621

CH3COCH2CH2COCH3

MLS001065580

DTXSID8030138

CHEBI:85014

C0Z8884J3P

MFCD00008792

SMR000568468

CCRIS 2919

hexanedione, 2,5-

EINECS 203-738-3

acetonylaceton

BRN 0506525

UNII-C0Z8884J3P

AI3-02399

Acetonylacetone (2,5-Hexandione)

hexan-2

hexan-2,5-dione

hexan-2,5-dion

ACAN

2,5-hexane-di-one

Hexanedione-(2,5)

2,5-Hexanedione, 97%

cid_8035

ACETONYLACETONE [MI]

SCHEMBL10001

4-01-00-03688 (Beilstein Handbook Reference)

2,5-Hexanedione, >=98%

WLN: 1V2V1

CHEMBL1564795

DTXCID6010138

BDBM73981

Acetonylacetone/2,5-Diketohexane

NSC7621

AMY25528

CS-D1203

Tox21_200618

BBL027731

LMFA12000081

STL194267

2,5-Hexanedione, analytical standard

AKOS000119007

GS-3782

MCULE-3166810473

NCGC00091466-01

NCGC00091466-02

NCGC00258172-01

CAS-110-13-4

DB-029411

H0101

NS00011933

EN300-19144

2,5-Hexanedione, puriss. p.a., >=99.0%

D71099

2,5-Hexanedione, Vetec(TM) reagent grade, 98%

A802149

Q209264

Q-200202

F0001-0216

InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H

6-Methylheptan-2-one

6-METHYL-2-HEPTANONE

928-68-7

2-Heptanone, 6-methyl-

2-Isooctanone

2-Methyl-6-heptanone

6-methyl-heptan-2-one

Methyl isohexyl ketone

N203Q7UI56

MFCD00026527

NSC-39665

Methyl 4-Methylpentyl Ketone

2-Heptanone,6-methyl-

UNII-N203Q7UI56

NSC39665

EINECS 213-179-7

NSC 39665

6-Methyl 2-heptanone

ISOOCTAN-2-ONE

6-METHYLHEPTANONE

SCHEMBL130602

DTXSID7061302

DPLGXGDPPMLJHN-UHFFFAOYSA-

CHEBI:184396

6-Methyl-2-heptanone, AldrichCPR

LMFA12000041

AKOS009157571

MCULE-7256575819

BS-17861

SY052020

DB-242815

N-FMOC-3-AMINO-4-CHLOROBENZOICACID

CS-0154232

M0700

NS00021391

EN300-72298

D81757

W-109100

Q27284399

InChI=1/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3

2,4-Nonanedione

Nonane-2,4-dione

6175-23-1

3I1VDR4QHW

NSC-71552

NSC-20699

caproylacetone

NSC71552

EINECS 228-219-9

AI3-12187

UNII-3I1VDR4QHW

NCIOpen2_000340

SCHEMBL93486

DTXSID50210753

CHEBI:171751

MFCD00015276

NSC 71552

AKOS005060864

MCULE-8236892696

NS00034784

A833404

3-NONEN-2-ONE

trans-3-Nonen-2-one

(E)-Non-3-en-2-one

14309-57-0

18402-83-0

(e)-3-nonen-2-one

3-Nonen-2-one, (3E)-

(3E)-NON-3-EN-2-ONE

non-3-en-2-one

(3E)-3-Nonen-2-one

3-Nonen-2-one [FHFI]

3-Nonen-2-one, (E)-

FEMA No. 3955

3E-Nonen-2-one

FR0K39OF16

UNII-FR0K39OF16

EINECS 238-248-9

(3E)-nonen-2-one

3-Non-3-en-2-one

(E)-3-nonene-2-one

SCHEMBL159644

trans-3-Nonen-2-one, 95%

CHEBI:133457

DTXSID201316311

LMFA12000133

MFCD00010241

AKOS015916245

AS-56497

CS-0152368

N0592

D91739

EN300-7401434

A846998

A904004

J-011791

Q27278142

3,5-Undecadien-2-one

(3E,5E)-undeca-3,5-dien-2-one

68973-20-6

UNDECA-3,5-DIEN-2-ONE

Fema No. 4746

12N657G73Y

3,5-Undecadien-2-one, (3E,5E)-

UNII-12N657G73Y

113388-23-1

5-undecadien-2-one

UNII-5CAA762FZU

5CAA762FZU

SCHEMBL1194989

DTXSID401344564

FEMA NO. 4746, (3E,5E)-

UNDECA-3,5-DIEN-2-ONE, (3E,5E)-