gammabutyrolactone

gamma-Hydroxybutyrolactone

BUTYROLACTONE

butyrolactonL

Butyrylactone

gamma Butyrolactone

gamma-Butanolactone

gamma-Butyrolactone

gamma-Butyryllactone

Hydroxybutanoic Acid Lactone

sigma-Butyrolactone

gama-Butyrolactone

gamma-Butalactone

YEJRWHAVMIAJKC-UHFFFAOYSA-N

2-Oxotetrahydrofuran

Butyryl lactone

g-Butyrolactone

g-Butyryllactone

gamma-Hydroxybutyric acid lactone

gamma-hydroxybutyric acid lactonL

y-Butyrolactone

Agrisynth BLO

BLON

butyrl lactone

g-Butalactone

gamma-Butyrolactone, analytical standard

4-Deoxytetronate

BLO

Butyric acid lactone

g-Hydroxybutyric acid lactone

gamma-butyro-lactone

gamma-Hydroxybutyric Acid cyclic ester

GBL

.gamma.-Hydroxybutyrolactone

4-butanolactone

4-Butyrolactone

4-butyrolactonL

4-Butanolide

4-Hydroxybutanoic acid lactone

AC1L1OGM

AC1Q6EQU

gamma BL

gamma-BL

Tetrahydro-2-furanone

tetrahydrofuran-2-one

2-Oxolanone

4-Deoxytetronic acid

4-Hydroxybutyric acid lactone

4-hydroxybutyric acid lactonL

No Go

.alpha.-Butyrolactone

.gamma.-Butanolactone

.gamma.-Butyrolactone

4-hydroxybutyric acid gamma-lactone

Dihydro-2-furanone

dihydrofuran-2-one

Dihyro-2-furanone

gamm a-hydroxybutyric acid cyclic ester

Gamma-Lactone 4-hydroxybutanoic acid

Gamma-Lactone 4-hydroxybutyric acid

Paint Clean G

gamma-Butyrolactone (natural)

.gamma.-Hydrooxybutyric acid lactone

.gamma.-Hydroxybutyric acid lactone

OL659KIY4X

1,4-Butyrolactone

GTPL5462

KSC492Q2B

oxolan-2-one

WLN: T5OVTJ

.gamma.-Hydroxybutyric acid cyclic ester

1-Oxacyclopentane-2-one

1,2-Butanolide

1,4-Butanolide

4-Hydroxybutyric acid, gamma-lactone

CHEMBL95681

dihydro-furan-2-one

Gamma-Lactone 4-hydroxy-butanoic acid

Gamma-Lactone 4-hydroxy-butyric acid

NSC4592

PubChem17411

UNII-OL659KIY4X

1-Oxacyclopentan-2-one

2(3H)-dihydrofuranone

A4867

and oxolan-2-one

B0767

CTK3J2820

HMDB00549

.gamma.-BL

1,4-Lactone

1,4-lactonL

4-hydroxy-Butanoic acid g-lactone

DB04699

EBD36709

LS40356

RP18446

C01770

CCRIS 2924

DSSTox_CID_224

gamma-6480

HSDB 4290

LTBB001793

AK116990

DTXSID6020224

HE027248

HE261495

HE261496

HE388064

HE419942

LS-2010

NSC 4592

NSC-4592

STL281877

ACMC-209s75

Butanoic acid, .gamma.-lactone

BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE

C-1070

CHEBI:42639

Dihydro-2(3H)-furanone

dihydrofuran-2(3H)-one

NCI-C55878

ZINC4658567

AJ-51844

AN-24351

ANW-40815

Butyric acid, .gamma.-lactone

Caswell No. 132B

DSSTox_GSID_20224

SC-18055

TRA0048639

DSSTox_RID_75445

LMFA07040004

ZINC04658567

4-Hydroxybutanoic acid, .gamma.-lactone

4-Hydroxybutyric acid, .gamma.-lactone

AI3-28121

KB-251543

RTR-032131

TR-032131

AKOS000119924

EPA Pesticide Chemical Code 122303

gamma-Butyrolactone, ReagentPlus(R), >=99%

I14-6510

J-513020

J-520327

Q-200482

endo-cis-5-Norbornene-endo-2,3-dicarboxylic anhydride

FEMA No. 3291

FT-0622894

FT-0658293

gamma-Butyrolactone, >=99% (GC)

Tetrahydro-2-Furanone Dihydro-2(3H)-Furanone

.gamma.-6480

96-48-0

Dynasolve 699 (Salt/Mix)

Butanoic acid, 4-hydroxy-, gamma-lactone

Butyric acid, 4-hydroxy-, gamma-lactone

Tox21_200490

Tox21_300188

2(3H)-Furanone, dihydro-

3B1-008035

F0001-2298

CAS-96-48-0

gamma-Butyrolactone, SAJ first grade, >=99.5%

MCULE-6795890265

NCGC00247920-01

NCGC00247920-02

NCGC00253913-01

NCGC00258044-01

EINECS 202-509-5

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

Dihydro-(3 H)-furan-2-one

2,3,4,5-Tetrahydro-2-furanone

4-Hydroxybutanoic acid lactone, >=98%, FCC, FG

187997-16-6

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

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

33522-EP2311815A1

33522-EP2371797A1

33522-EP2371798A1

33522-EP2371804A1

80109-EP2272517A1

80109-EP2277871A1

80109-EP2292621A1

80109-EP2305250A1

80109-EP2371797A1

80109-EP2371800A1

gamma-Butyrolactone, puriss., >=99.0% (GC)

4-Hydroxybutyric acid gamma-lactone; BLO; endo-cis-5-Norbornene-endo-2,3-dicarboxylic anhydride

InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H

The Henry's Law constant for butyrolactone is estimated as 5.3X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.45 mm Hg(1), and assigned value for water solubility of 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that butyrolactone is expected to be essentially nonvolatile from water surfaces(3). Butyrolactone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not likely to occur(SRC). Butyrolactone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 0.45 mm Hg(1).
Literature: (1) Yaws CL; Handbook of Chemical Compound Data for Process Safety p. 35 (1997) (2) O'Neil MJ, ed; The Merck Index. 14th ed. Whitehouse Station, NJ: Merck and Co., Inc. pp. 259-60 (2006) (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 butyrolactone is estimated as 11(SRC), using a log Kow of -0.64(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that butyrolactone 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. 9 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc p. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Ethylhexanol

YIWUKEYIRIRTPP-UHFFFAOYSA-N

2-ethylhexylalcohol

2 Ethylhexanol

2-Aethylhexanol

2-Ethylhexanol

AC1L1PEC

2-Ethylhexyl alcohol

Exxal 8N

2-ETHYL HEXANOL

2-ethyl-hexanol

AC1Q2V9L

AC1Q7BK8

2-ethyl hexyl alcohol

Alcohol, 2-ethylhexyl

KSC175S7B

L260

ACMC-1B65F

ACMC-20msz8

CHEMBL31637

NSC9300

SCHEMBL16324

CTK0H5970

E0122

Ethylhexanol, 2-

2-Aethylhexanol [German]

LS-380

2-ethyl 1-hexanol

2-ETHYL-1-HEXANOL

2-Ethylhexan-1-ol

C02498

CCRIS 2292

DSSTox_CID_605

HMS2268N10

HSDB 1118

AK114196

DTXSID5020605

LP121394

NSC 9300

NSC-9300

OR025415

SBB059906

STL453673

CHEBI:16011

2-Ethyl-1-hexanol, analytical standard

ANW-15107

DSSTox_GSID_20605

TRA0052020

xi-2-Ethyl-1-hexanol

2-Ethyl-hexan-1-ol

DSSTox_RID_75686

LMFA05000703

MFCD00004746

AI3-00940

KB-170355

RTR-001032

ST24040552

ST51046173

TR-001032

AKOS000120105

AKOS016843836

W-109057

BRN 1719280

FEMA No. 3151

FT-0612231

FT-0627437

MLS002415694

SMR000112222

1-Hexanol, 2-ethyl-

I14-17807

Tox21_202071

Tox21_300019

WLN: Q1Y4 & 2

104-76-7

3B1-005666

2-Ethyl-1-hexanol, >=99%

MCULE-1768780358

NCGC00091294-01

NCGC00091294-02

NCGC00091294-03

NCGC00254215-01

NCGC00259620-01

Alcohols, C7-9-branched, C8-rich

CAS-104-76-7

EINECS 203-234-3

EINECS 295-250-2

2-Ethylhexan-1-ol, United States Pharmacopeia (USP) Reference Standard

91994-92-2

111675-57-1

128821-84-1

Alcohols, C7-9-iso-,C8-rich

2-Ethyl-1-hexanol, >=99.6%

MolPort-001-787-201

2-Ethyl-1-hexanol, >=99%, FG

33017-EP2305033A1

33017-EP2311815A1

33017-EP2371805A1

33017-EP2377844A2

2-Ethyl-1-hexanol, 99% 500ml

2-Ethyl-1-hexanol, SAJ first grade, >=99.0%

1-Hexanol, 2-ethyl-, (S)-

4-01-00-01783 (Beilstein Handbook Reference)

1070-10-6 (titanium(4+) salt)

2-Ethyl-1-hexanol, puriss., >=99.0% (GC)

InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H

The Henry's Law constant for 2-ethylhexanol is estimated as 2.6X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.136 mm Hg(1), and water solubility, 880 mg/L(2). This Henry's Law constant indicates that 2-ethylhexanol 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 41 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 16 days(SRC). 2-Ethylhexanol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Ethylhexanol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds. New York, NY: Amer Inst for Phys Prop Data (1989) (2) Amidon GL et al; J Pharm Sci 63: 1858-66 (1974) (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-ethylhexanol can be estimated to be 35(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-ethylhexanol 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 Feb 5, 2014: 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)

isobutylmethylketone

methylisobutylketone

Metilisobutilchetone

Metyloizobutyloketon

Methylisobutylketon

Isopropylacetone

iso-butylmethylketone

isobutylmethyl ketone

methyl isobutylketone

methyl-isobutylketone

methylisobutyl ketone

Isobutyl-methylketon

Isohexanone

Isopropyl acetone

NTIZESTWPVYFNL-UHFFFAOYSA-N

Hexone

Hexon

Isobutyl methyl ketone

methyl iso-butylketone

METHYL ISOBUTYL KETONE

methyl-isobutyl ketone

Methyl-isobutyl-cetone

MIBe

MIBK

methyl-iso-butylketon

Metilisobutilchetone [Italian]

Metyloizobutyloketon [Polish]

MIe

MIK

Shell mibk

AC1L1PTX

Methylisobutylketon(DUTCH, GERMAN)

2-Methylpropyl methyl ketone

Ketone, isobutyl methyl

METHYL ISO-BUTYL KETONE

ethyl iso-butyl ketone

Methyl I-butyl ketone

Methyl Isobutyl Ketone Reagent Grade ACS

Methylpentan-2-one

AC1Q1P3V

Isobutyl-methylketon [Czech]

4-methyl-2pentanone

Methylisobutylketon [Dutch, German]

U5T7B88CNP

iso-C4H9COCH3

KSC493I1J

Hexon [Czech]

Methyl-isobutyl-cetone [French]

NSC5712

SCHEMBL15458

UN1245

UNII-U5T7B88CNP

2-Methyl-4-oxopentane

4-Methyl-2-oxopentane

CTK3J3414

HMDB02939

HSDB 148

M0389

Methyl isobutyl ketone [USAN]

Methyl Isobutyl Ketone, pharmaceutical secondary standard; traceable to USP

2-Methyl-4-pentanal

2-Methyl-4-pentanone

4-Methyl-2-pentanon

4-Methyl-2-pentanone

4-Methylpentan-2-one

4-Metilpentan-2-one

CHEMBL285323

LS-453

Methyl isobutyl ketone (NF)

ACMC-1C282

C19263

CCRIS 2052

D04989

Rcra waste number U161

DTXSID5021889

FEMA Number 2731

Jsp000704

NSC 5712

NSC-5712

OR000265

OR111647

OR111648

SBB060384

UN 1245

4-Methyl-2-pentanone, analytical standard

A801806

CHEBI:82344

DSSTox_CID_1889

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

ZINC1482107

2-Pentanone,4-methyl-

4-methyl- 2-pentanone

4-Methyl-pentan-2-on

4-Methyl-pentan-2-one

AN-42853

ANW-15892

BP-13453

Caswell No. 574AA

CJ-05088

CJ-23645

DSSTox_GSID_21889

KB-72711

Methyl-2-pentanon,4-

SC-65434

SCHEMBL13341539

TRA0072750

DSSTox_RID_76387

LMFA12000033

MFCD00008938

ZINC01482107

AI3-01229

RTR-001906

ST51046575

TR-001906

4-Methyl-2-pentanone, HPLC Grade

AKOS000118793

EPA Pesticide Chemical Code 044105

I14-4094

J-515799

Q-200495

RCRA waste no. U161

2-Pentanone, 4-methyl-

4-Methyl-2-pentanone (natural)

BRN 0605399

FEMA No. 2731

FT-0628744

4-Metilpentan-2-one [Italian]

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

4-Methyl-2-pentanon [Czech]

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

Tox21_201108

108-10-1

F1908-0087

WLN: 1Y1 & 1V1

MCULE-2172909634

NCGC00091475-01

NCGC00091475-02

NCGC00258660-01

CAS-108-10-1

EINECS 203-550-1

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

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

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

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

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

Methyl isobutyl ketone [UN1245] [Flammable liquid]

5792-EP2270114A1

5792-EP2280005A1

5792-EP2289884A1

5792-EP2289897A1

5792-EP2292624A1

5792-EP2314558A1

7726-EP2272848A1

7726-EP2275423A1

7726-EP2289897A1

7726-EP2371797A1

MolPort-001-789-273

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

26733-EP2269986A1

26733-EP2270009A1

26733-EP2272822A1

26733-EP2272827A1

26733-EP2274983A1

26733-EP2275407A1

26733-EP2280009A1

26733-EP2281812A1

26733-EP2281821A1

26733-EP2287154A1

26733-EP2289868A1

26733-EP2292597A1

26733-EP2295423A1

26733-EP2295430A2

26733-EP2295431A2

26733-EP2295438A1

26733-EP2298755A1

26733-EP2298763A1

26733-EP2299326A1

26733-EP2301924A1

26733-EP2302003A1

26733-EP2305254A1

26733-EP2305649A1

26733-EP2305650A1

26733-EP2308838A1

26733-EP2308857A1

26733-EP2309584A1

26733-EP2314577A1

26733-EP2314583A1

26733-EP2371797A1

26733-EP2371798A1

26733-EP2371800A1

26733-EP2371804A1

26733-EP2377845A1

26733-EP2380568A1

26733-EP2380873A1

28326-EP2314577A1

78042-EP2272846A1

78042-EP2275422A1

78042-EP2277868A1

78042-EP2277869A1

78042-EP2277870A1

78042-EP2292608A1

78042-EP2298076A1

78042-EP2298077A1

78042-EP2301353A1

78042-EP2305031A1

78042-EP2305033A1

78042-EP2305034A1

78042-EP2305035A1

78042-EP2308866A1

78042-EP2374791A1

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

Methyl isobutyl ketone [UN1245] [Flammable liquid]

128154-EP2269986A1

128154-EP2295423A1

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

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

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

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

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

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

4-Methyl-2-pentanone, ACS, 98.5% min. 500ml

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

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

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

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)

Pentylcarbinol

Amylcarbinol

Caproalcohol

Hydroxyhexane

Hexalcohol

Hexanols

ZSIAUFGUXNUGDI-UHFFFAOYSA-N

Caproic alcohol

Caproyl alcohol

HEXANOL

Hexyl alcohol

HEXANOL-CMPD

Nat.Hexanol

NATURAL HEXYL ALCOHOL

1-Hydroxyhexane

1-hydroxyhexyl

BDBM9

n-Hexanol

N-hexenol

AC1Q2WFM

AC1Q2WFN

HE2

hexanol;

C6 alcohol

n-Hexyl alcohol

1-Hexanol

6CP2QER8GS

HEXYL ALCOHOL, ACTIVE

1-Hexyl alcohol

AC1L1Q9T

EPAL 6

Exxal 6

C6H14O

SCHEMBL1877

UNII-6CP2QER8GS

1-Hexanol, analytical standard

Alcohol C-6

Alcohol(C6)

Butanol, ethyl-

KSC178E1L

ACMC-1C26M

CHEMBL14085

Hexan-1-ol

Hexanol (VAN)

Hexyl alcohol (natural)

NSC9254

UN2282

CTK0H8215

Fatty alcohol(C6)

HMDB12971

HSDB 565

n-C6H13OH

WLN: Q6

BIDD:ER0298

NE10250

RL00460

HMS3039L08

n-Hexan-1-ol

DTXSID8021931

FEMA Number 2567

Hexanol-(1)

Jsp000849

LP003954

LP076753

LS-2366

NSC 9254

NSC-9254

OR249512

SBB059899

STL282713

CHEBI:87393

DSSTox_CID_1931

ZINC1699882

AN-43058

ANW-16262

Caswell No. 482E

CJ-06648

CJ-28634

DSSTox_GSID_21931

EBD2203383

SC-22734

TRA0032352

1-Hexanol, 98%

ACN-S002388

DSSTox_RID_76410

LMFA05000117

MFCD00002982

ZINC01699882

AI3-08157

RTR-002242

ST51046167

TR-002242

AKOS009031422

Alcohol C-6, Natural, Natural Hexanol

EPA Pesticide Chemical Code 079047

Exxal 6 (Salt/Mix)

J-002549

S14-1473

1-Hexanol, anhydrous, >=99%

BRN 0969167

FEMA No. 2567

FT-0607887

MLS001055374

SMR000677945

Z955123546

EN300-19338

Tox21_201335

Tox21_302953

1-Hexanol, reagent grade, 98%

111-27-3

3B1-002865

F0001-0237

Hexyl alcohol, >=98%, FCC, FG

MCULE-4299150163

NCGC00090949-01

NCGC00090949-02

NCGC00256385-01

NCGC00258887-01

CAS-111-27-3

EINECS 203-852-3

EINECS 247-346-0

25917-35-5

UN 2282 (Salt/Mix)

220713-27-9

1-Hexanol, 99% 500ml

Hexyl alcohol, natural, >=98%, FCC, FG

MolPort-001-779-716

1-Hexanol, SAJ special grade, >=99.0%

Hexanols [UN2282] [Flammable liquid]

1-Hexanol, Vetec(TM) reagent grade, 98%

81323-EP2269986A1

81323-EP2272817A1

81323-EP2301919A1

81323-EP2305687A1

81323-EP2371805A1

81323-EP2380568A1

89674-EP2272842A1

89674-EP2292613A1

89674-EP2305033A1

23275-26-5 (aluminum salt)

1-Hexanol, purum, >=98.0% (GC)

4-01-00-01694 (Beilstein Handbook Reference)

1-Hexanol, ReagentPlus(R), >=99.5% (GC)

InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H

The Henry's Law constant for 1-hexanol is 1.71X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that 1-hexanol 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 20 days(SRC). 1-Hexanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Hexanol is expected to volatilize slowly from dry soil surfaces(SRC) based upon a vapor pressure of 0.928 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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. NY: Hemisphere Pub Corp (1989)

A Koc of 10.2 was determined for 1-hexanol on a Hagerstown silt loam soil(1). According to a suggested classification scheme(2), this Koc value suggests that 1-hexanol is expected to have very high mobility in soil.
Literature: (1) Gerstl Z, Helling CS; J Environ Sci Health 22: 55-69 (1987) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Caprinaldehyde

Decanaldehyde

Capraldehyde

DECALDEHYDE

Caprinic aldehyde

KSMVZQYAVGTKIV-UHFFFAOYSA-N

KSMVZQYAVGTKIV-UHFFFAOYSA-

n-DECYLALDEHYDE

Capric aldehyde

Decylic aldehyde

Decanal

n-Decaldehyde

Decyl aldehyde

n-Decanal

Decanal, analytical standard

n-Decyl aldehyde

AC1Q2VYO

AC1L1QFM

1-Decanal

Aldehyde C10

1-Decyl aldehyde

SCHEMBL2540

Decanal (natural)

KSC176G3J

U211

NSC6087

ACMC-1C59Q

C-10 aldehyde

D0032

CTK0H6334

Aldehyde C-10

HSDB 288

31Z90Q7KQJ

WLN: VH9

HMDB11623

NE10468

N-decanal (capric aldehyde)

1-Decanal(mixed isomers)

C12307

UNII-31Z90Q7KQJ

LS-2367

CHEMBL2228377

LP001404

NSC 6087

NSC-6087

DTXSID4021553

SBB058676

Jsp000949

ZINC1693270

A802551

CHEBI:31457

DSSTox_CID_1553

ANW-16447

AN-22691

Natural Decanal(C-10)

KB-49635

EBD2219840

SC-22770

DSSTox_GSID_21553

AK-44487

TRA0073044

MFCD00007031

LMFA06000052

DSSTox_RID_76207

ST24030299

AI3-04860

DB-041074

ST51037233

RTR-002413

TR-002413

AKOS000120018

S14-1463

J-002749

FEMA No. 2362

BRN 1362530

FT-0631643

I14-13645

Decanal, natural, >=97%, FG

Tox21_302656

EN300-20146

112-81-2

112-31-2

decanal (ACD/Name 4.0)

Decanal, >=95%, FCC, FG

NCGC00256769-01

CAS-112-31-2

Decanal, >=98% (GC), liquid

EINECS 203-957-4

MolPort-001-769-696

InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

The Henry's Law constant for decaldehyde is 1.8x10-3 atm-cu m/mole(1). This Henry's Law constant indicates that decaldehyde 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 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 5 days(SRC). Decaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Decaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.103 mm Hg(3).
Literature: (1) Zhou X, Mopper K; Environ Sci Technol 24: 1482-5 (1990) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis, (1989)

In water 0.00156 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 739
Literature: #Soluble in ethanol, ether, acetone; slightly soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-142
Literature: #Soluble in 80% alcohol, fixed oils, volatile oils, mineral oil; insoluble in glycerol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 371

Using a structure estimation method based on molecular connectivity indices(1), the Koc of decaldehyde can be estimated to be 70(SRC). According to a classification scheme(2), this estimated Koc value suggests that decaldehyde 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 20, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Methylheptenone

UHEPJGULSIKKTP-UHFFFAOYSA-N

Sulcatone

0VT

AC1L1TZM

ACMC-1BRGW

Heptenone, methyl-

KSC495C6F

CHEMBL46340

CTK3J5162

X5960

M0252

SCHEMBL157735

NSC66569

NSC15294

ZINC896810

HSDB 5565

C07287

AK116810

Jsp000828

BBL027733

DTXSID5021629

LP088129

LS-2930

ZB015110

STK801685

OR025066

DSSTox_CID_1629

M-7412

CHEBI:16310

NSC-66569

DSSTox_GSID_21629

CJ-04497

TRA0077074

ST2412448

AN-23441

AN-22632

NSC-15294

NSC 15294

AJ-24254

LMFA12000039

ZINC00896810

MFCD00008905

DSSTox_RID_76244

BB_NC-0183

448353S93V

DB-040945

TR-002204

AI3-05639

KB-199571

RTR-002204

W-108682

AKOS006034959

BRN 1741705

FEMA No. 2707

FT-0621226

6-methylheptan-5-ene-2-one

UNII-448353S93V

2-Oxo-6-methylhept-5-ene

2-Methyl-6-oxo-2-heptene

6-Methyl-5-heptene-2-one

I14-17859

6-METHYL-5-HEPTEN-2-ONE

6-Methyl-5-Hepten-2-One Natural

6-Methylhept-5-en-2-one

Tox21_201381

Tox21_302899

2-Methyl-2-hepten-6-one

409-02-9

110-93-0

NCGC00256420-01

NCGC00258932-01

NCGC00249039-01

MCULE-3832720881

6-Methyl-5-hepten-2-one, analytical standard

CAS-110-93-0

EINECS 203-816-7

EINECS 206-990-2

6-methyl-hept-5-en-2-one

2-methyl-hept-2-en-6-one

6-Methyl hept-5-en-2-one

132958-67-9

129085-68-3

MolPort-001-788-424

5-HEPTEN-2-ONE, 6-METHYL-

6-Methyl-5-hepten-2-one (natural)

6-Methyl-5-hepten-2-one, 99%

4-01-00-03493 (Beilstein Handbook Reference)

6-Methyl-5-hepten-2-one, natural, >=98%, FCC

6-Methyl-5-hepten-2-one, >=98%, FCC, FG

6-Methyl-5-hepten-2-one, natural, >=98.0%, FCC

INSOL IN WATER; SOL IN ALL PROP WITH ALCOHOL, ETHER
Literature: Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-330