Capronaldehyde

Caproaldehyde

Hexanaldehyde

Hexylaldehyde

Kapronaldehyd

Hexaldehyde

JARKCYVAAOWBJS-UHFFFAOYSA-N

n-Caproylaldehyde

Caproic aldehyde

HEXANAL

Hexoic aldehyde

n-Caproaldehyde

n-Capronaldehyde

n-Hexylaldehyde

Hexyl aldehyde

n-Hexaldehyde

Caproaldehyde, Hexyl aldehyde

Hexanal, analytical standard

n-Caproic aldehyde

n-Hexanal

AC1Q2VPQ

1-hexanone

6-OXOHEXYL

Aldehyde C6

C6 aldehyde

1-Hexanal

Kapronaldehyd [Czech]

AC1L1LZ0

9DC2K31JJQ

ACMC-1BFR4

Aldehydes, C6

C6H12O

Hexanal (natural)

PubChem3077

Aldehyde C-6

E-2-hexanal

KSC353M9N

7134AH

hexan-1-al

n-C5H11CHO

NSC2596

SCHEMBL22263

UN1207

UNII-9DC2K31JJQ

CTK2F3696

Hexanal, 98%

HMDB05994

HSDB 560

WLN: VH5

CHEMBL280331

NE10466

RP18712

CCRIS 3219

n-HEXALDEHYDE, 98%

DTXSID2021604

FEMA Number 2557

LP094954

LP104070

LS-2339

NSC 2596

NSC-2596

OR012182

STL280331

UN 1207

A835388

CHEBI:88528

DSSTox_CID_1604

ZINC1641021

AN-23753

ANW-35172

CJ-05867

CJ-26448

DSSTox_GSID_21604

EBD3061058

SC-06151

BDBM50028824

DSSTox_RID_76231

LMFA06000109

MFCD00007027

ZINC01641021

AI3-15364

DB-054893

RTR-022440

TR-022440

AKOS009156478

J-660017

S14-1025

BRN 0506198

FEMA No. 2557

FT-0631290

FT-0669191

TRA-0203532

66-25-1

EN300-33498

Hexanal, natural, >=90%, FG

Hexanal, natural, >=95%, FG

Tox21_201933

Tox21_303342

CAS-66-25-1

Hexanal, >=97%, FCC, FG

Hexaldehyde [UN1207] [Flammable liquid]

NCGC00249137-01

NCGC00257270-01

NCGC00259482-01

EINECS 200-624-5

EC 200-624-5

Hexaldehyde [UN1207] [Flammable liquid]

MolPort-001-769-760

4-01-00-03296 (Beilstein Handbook Reference)

The Henry's Law constant for hexaldehyde is 2.13X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that hexaldehyde 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 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)(2) is estimated as 5 days(SRC). Hexaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 11.3 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. Washington, DC: Taylor and Francis (1989)

The Koc of hexaldehyde is estimated as 50(SRC), using a log Kow of 1.78(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that hexaldehyde 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) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 18, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)

HEXYLFORMATE

OUGPMNMLWKSBRI-UHFFFAOYSA-N

Hexyl methanoate

Hexyl formiate

Hexyl formate

dioxanone n

n-Hexyl methanoate

AC1L1UOX

n-Hexyl formate

Formic Acid Hexyl Ester

9GPU7PGV1G

UNII-9GPU7PGV1G

FORMIC ACID, HEXYL ESTER

KSC489S2F

SCHEMBL59493

NSC4780

ACMC-209nah

CTK3I9922

LP001598

SBB060302

NSC-4780

NSC 4780

LS-2812

DTXSID8060870

CHEMBL2270391

ZINC1680396

CJ-06264

FCH1118701

TRA0034149

CJ-27571

AN-22059

ANW-34455

C-49262

MFCD00046146

ZINC01680396

DB-003683

TR-021659

ST51046516

RTR-021659

AKOS015902384

Hexyl formate, >=97%, FG

FEMA No. 2570

FT-0627052

BRN 1701629

I14-19379

629-33-4

MCULE-1329787181

EINECS 211-087-1

YWXLSHOWXZUMSR-UHFFFAOYSA-N

propyl butyl ketone

Butyl propyl ketone

4-OCTANONE

Propyl n-butyl ketone

AC1L1XJ1

AC1Q2V6U

Octan-4-one

n-BUTYL-n-PROPYL KETONE

8758AB

CTK1H0605

O0218

SCHEMBL109288

n-C4H9COCH2CH2CH3

NSC43245

ACMC-209m8q

OR022992

AK113867

LP027690

ZINC1675967

KB-72831

NSC-43245

DTXSID40207637

CJ-27368

ANW-33096

AJ-29423

MFCD00027241

TC-121841

DB-053297

AKOS009159007

FT-0632455

I14-55759

589-63-9

MCULE-5459540473

EINECS 209-655-9

ZCHHRLHTBGRGOT-SNAWJCMRSA-N

AC1NSWAV

AC1Q2SNT

3-Propylallyl alcohol

t2 hexenol

2E-hexenol

2-hexenyl alcohol

2-Hexenol

trans-2-Hexenol

SCHEMBL75388

PubChem18917

fema 2562

BVP79C4821

DTXSID2047062

trans-1-Hydroxy-2-hexene

NSC142553

OR010867

Nat. Trans-2-Hexenol

CHEMBL2228463

LS-2801

AK307772

UNII-BVP79C4821

A844381

ZINC1726893

KB-61887

CJ-06905

CJ-29345

LS-75595

DSSTox_GSID_47062

AN-48013

2-HEXEN-1-OL

trans-2-Hexenol (natural)

LMFA05000060

ZINC01726893

(E)-2-HEXENOL

DSSTox_CID_27062

Hex-2(E)-enol

DSSTox_RID_82079

trans-2-Hexen-1-Ol

MFCD00002927

2-(E)-hexenol

RTR-029102

NSC 142553

NSC-142553

trans-2-Hexen-1-yl Alcohol

TR-029102

AI3-34792

UNII-4786A28X17 component ZCHHRLHTBGRGOT-SNAWJCMRSA-N

t-2-Hexen-1-ol

AKOS015856232

I14-1135

FT-0623901

Hex-2-en-1-ol

FT-0659148

FEMA No. 2562

BRN 1719709

hexen-1-ol,trans-2-

(E)-hex-2-enol

trans-Hex-2-en-1-ol

Tox21_301839

I14-112607

E-Hex-2-en-1-ol

928-95-0

2-Hexen-1-ol (natural)

2305-21-7

2-Hexen-1-ol, trans-

trans- hex-2-en-1-ol

hex-2(trans)-en-1-ol

NCGC00256273-01

CAS-928-95-0

EINECS 213-191-2

EINECS 218-972-1

(E)-2-Hexen-1-ol

(E)-2-Hexene-1-ol

trans-2-Hexen-1-ol, 96%

114411-82-4

MolPort-001-793-740

(E)-Hex-2-en-1-ol

(2E)-2-Hexen-1-ol #

161323-EP2287158A1

2-Hexen-1-ol, (E)-

2-Hexen-1-ol, (2E)-

trans-2-Hexen-1-ol, 97% 25g

trans-2-Hexen-1-ol, natural, 97%, FG

trans-2-Hexen-1-ol, >=95%, FCC, FG

4-01-00-02138 (Beilstein Handbook Reference)

beta-Propylacrolein

alpha,beta-Hexylenaldehyde

Hexylenic aldehyde

MBDOYVRWFFCFHM-SNAWJCMRSA-

MBDOYVRWFFCFHM-SNAWJCMRSA-N

alpha.beta-Hexylenaldehyd

Hexenal

Leaf aldehyde

3-Propylacrolein

beta-Propyl acrolein

2-hexenaldehyde

AC1NQY5N

AC1Q2SNR

trans-3-Propylacrolein

2-HEXENAL

3-propyl acrolein

3-propyl-acrolein

n-C3H7CH=CHCHO

2-trans-Hexenal

trans-2-Hexenal

trans-2-Hexenyl Aldehyde

69JX3AIR1I

R554

Hex-2-enal

hexen-2-al

UNII-69JX3AIR1I

trans-Hex-2-enal

(2e)-hexenal

2-hexenal, E

bmse000536

C08497

CCRIS 3508

CCRIS 4565

2-hexenal, Z-isomer

BC231929

CHEMBL2228570

DTXSID1041425

LP071977

LS-2387

Nat. Trans-2-Hexenal

OR010861

SBB067097

A828173

A835690

CHEBI:19591

CHEBI:28913

ZINC1531148

AN-21263

CJ-24092

DSSTox_GSID_41425

LS-75536

SC-25240

(E)-2-HEXENAL

DSSTox_CID_21425

DSSTox_RID_79729

LMFA06000002

MFCD00007008

trans-2-Hexen-1-al

trans-2-Hexenal (leaf aldehyde)

ZINC01531148

AI3-24649

AI3-35157

DB-003793

RTR-022621

TR-022621

(2E)-2-Hexenal

(2E)hex-2-enal

AKOS015899831

hexen-2-en-1-al

Hexenal, (E)-

I14-1139

I14-2609

I14-6235

BRN 1699684

BRN 1740988

FEMA No. 2560

FT-0636247

FT-0657136

FT-0659849

Hex-2-en-1-al

trans-2-Hexen-1-al, analytical standard

(E)-Hex-2-enal

Tox21_201286

Tox21_303390

(2E)-hex-2-enal

505-57-7

2-Hexenal, (E)-

6728-26-3

NCGC00249015-01

NCGC00257483-01

NCGC00258838-01

EINECS 208-014-0

EINECS 229-778-1

trans-2-Hexenal (leaf aldehyde) (natural)

(E)-2-hexen-1-al

2-Hexenal, (2E)-

73543-95-0

85761-70-2

CAS-6728-26-3

trans-2-Hexen-1-al, 98%

MolPort-001-769-762

161341-EP2287158A1

(E)- hex-2-en-1-al

trans-2-Hexen-1-al, natural, >=95%, FG

trans-2-Hexen-1-al, >=95%, FCC, FG

3-01-00-02993 (Beilstein Handbook Reference)

4-01-00-03468 (Beilstein Handbook Reference)

InChI=1/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+

Eucalyptusoil

Cucalyptol

eucaliptol

Eucalyptol

Eucalyptole

Eukalyptol

Cajeputol

Cineolum

eucalytol

WEEGYLXZBRQIMU-UHFFFAOYSA-N

CINEOL

cineole

Eucapur

Soledum

Terpan

Zineol

Eucalyptol, analytical standard

EUCALYPTUS OIL

CNL

Zedoary oil

p-Cineole

AC1L1EEE

OILS EUCALYPTUS

Casella-med brand of cineole

Cineole (Eucalyptol)

Eucalyptol (natural)

Eucalyptol, Ph Helv

Eucalyptol (USAN)

Eucalyptol [USAN]

Eukalyptol [Czech]

GTPL2464

5750AF

Cineole (VAN)

Eucalyptol, 99%

NSC6171

SCHEMBL19622

SCHEMBL41020

CTK6B3326

Eucalyptol [USAN:USP]

HMDB04472

HMS501A15

HSDB 991

RV6J6604TK

1,8-Cineol

1,8-Cineole

BIDD:ER0481

CHEMBL485259

Cineole, European Pharmacopoeia (EP) Reference Standard

DB03852

Eucalyptol, certified reference material, TraceCERT(R)

Eucalyptol, United States Pharmacopeia (USP) Reference Standard

LS-128

1,8-Cineole, primary pharmaceutical reference standard

A19469

Acylated oxime isatin derivative, 19

bmse000523

C09844

CCRIS 3727

D04115

DSSTox_CID_616

HMS2271P04

SPECTRUM1500294

UNII-RV6J6604TK

ZINC967566

BT000181

CHEMBL1231862

CHEMBL1397305

DTXSID4020616

HE033340

HE083136

HE344413

NSC 6171

NSC-6171

NSC760388

p-Menthane,8-epoxy-

SBB057535

ST096004

CHEBI:27961

Eucalyptol, tested according to Ph.Eur.

NCI-C56575

1,8-Cineol;

1,8-Epoxy-p-menthane

1,8-Oxido-p-menthane

AC-20234

AN-23469

BSPBio_002405

CCG-36080

DSSTox_GSID_20616

FCH1679459

KB-51836

KBioGR_002194

SC-47256

SCHEMBL13554591

SCHEMBL17836873

DSSTox_RID_75692

MFCD00167977

NINDS_000333

SPBio_000261

Spectrum2_000221

Spectrum3_000683

Spectrum4_001747

Spectrum5_000704

ZINC00967566

AI3-00578

NSC-760388

ST50308096

TR-017465

1,8-cineol (eucalyptol)

AKOS015903223

AKOS016034339

DivK1c_000333

KBio1_000333

KBio3_001625

W-106080

FEMA No. 2465

FT-0607033

FT-0626369

IDI1_000333

MLS001050089

MLS001066338

SMR000471853

Ambap470-82-6

I14-18994

LMPR0102090019

Eucalyptol (cineole), pharmaceutical secondary standard; traceable to USP, PhEur

NCI60_005108

Tox21_111161

Tox21_202090

Tox21_302902

3B1-005465

470-82-6

p-Menthane, 1,8-epoxy-

8000-48-4

8024-52-0

8024-53-1

NCGC00091666-01

NCGC00091666-02

NCGC00091666-03

NCGC00091666-04

NCGC00091666-05

NCGC00095774-01

NCGC00178671-01

NCGC00256479-01

NCGC00259639-01

AB01563262_01

CAS-470-82-6

EINECS 207-431-5

10458-11-4

Eucalyptol, natural, >=99%, FCC, FG

Pharmakon1600-01500294

EC 207-431-5

SR-01000763816

Tox21_111161_1

855347-23-8

MolPort-003-929-343

MolPort-039-339-173

SR-01000763816-2

1,3-Trimethyl-2-oxabicyclo[2.2.2]octane

2-Oxa-1,3-trimethylbicyclo[2.2.2]octane

p-Menthane, 1,8-epoxy- (VAN)

2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-

WLN: T66 A B AOTJ B1 B1 F1

1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane

1,3,3-Trimethyl-2-oxabicyclo[2,2,2]octan

1,3,3-trimethyl-2-oxabicyclo[2,2,2]octane

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan

1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane

2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane

2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane

2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane

4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane

{1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane}

{2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane}

2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-

2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-

{2-Oxabicyclo[2.2.2]octane,} 1,3,3-trimethyl-

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane (ACD/Name 4.0)

InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H

The Henry's Law constant for 1,8-cineole is estimated as 1.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 1.90 mm Hg(1), and water solubility, 3.5X10+3 mg/L(2). This Henry's Law constant indicates that cineole 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 13 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 8 days(SRC). 1,8-Cineole's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,8-cineole from dry soil surfaces may exist(SRC) based upon the vapor pressure(1).
Literature: (1) Riddick JA et al, eds; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. New York, NY: John Wiley and Sons, (1985) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 730 (2010) (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 1,8-cineole is estimated as 220(SRC), using a log Kow of 2.74(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,8-cineole is expected to have moderate mobility in soil. In soil infiltration studies using secondary effluent from Fort Polk, LA collected Nov 4-5 1980, 1,8-cineole, present at 0.091 ug/L, was not detected in column fluid effluents on the second inundation cycle(4).
Literature: (1) Griffin S et al; J Chromatogr 864: 221-28 (1999) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 20, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Hutchins SR et al; Environ Toxicol Chem 2: 195-216 (1983)

Natriumazetat

monoacetate

Ethanoat

ethanoate

QTBSBXVTEAMEQO-UHFFFAOYSA-M

Acetat

acetate

acetyl hydroxide

Azetat

Shotgun

Vinegar

Vosol

Acetate Ion

Acetate ions

Acetic acid ion

MeCO2 anion

AC1Q1J2O

AC1Q1J9D

CHEMBL1354

TCLP extraction fluid 2

AC1L18N9

569DQM74SC

CTK5D4394

Acetic (2H)acid

DB03166

UNII-569DQM74SC

DTXSID1037694

IN018491

OR034747

OR338147

STL282721

CHEBI:30089

AN-23801

AN-25008

CMC_13391

BDBM50159793

ZINC05224164

LS-189936

AKOS022101130

CH3-COO(-)

FT-0621743

FT-0621764

71-50-1

Acetic acid, ion(1-)

1395-EP1441224A2

1395-EP2269610A2

1395-EP2269977A2

1395-EP2269978A2

1395-EP2269985A2

1395-EP2269990A1

1395-EP2269991A2

1395-EP2269993A1

1395-EP2270004A1

1395-EP2270006A1

1395-EP2270008A1

1395-EP2270010A1

1395-EP2270014A1

1395-EP2270016A1

1395-EP2270113A1

1395-EP2272813A2

1395-EP2272817A1

1395-EP2272822A1

1395-EP2272831A1

1395-EP2272843A1

1395-EP2272846A1

1395-EP2272847A1

1395-EP2272849A1

1395-EP2272935A1

1395-EP2272972A1

1395-EP2272973A1

1395-EP2275102A1

1395-EP2275105A1

1395-EP2275395A2

1395-EP2275404A1

1395-EP2275411A2

1395-EP2275412A1

1395-EP2275417A2

1395-EP2275420A1

1395-EP2277507A1

1395-EP2277565A2

1395-EP2277566A2

1395-EP2277567A1

1395-EP2277568A2

1395-EP2277569A2

1395-EP2277570A2

1395-EP2277848A1

1395-EP2277861A1

1395-EP2277872A1

1395-EP2277875A2

1395-EP2277876A1

1395-EP2277877A1

1395-EP2277898A2

1395-EP2279741A2

1395-EP2279750A1

1395-EP2280005A1

1395-EP2280008A2

1395-EP2280009A1

1395-EP2280010A2

1395-EP2280011A1

1395-EP2280012A2

1395-EP2281559A1

1395-EP2281563A1

1395-EP2281812A1

1395-EP2281815A1

1395-EP2281817A1

1395-EP2281818A1

1395-EP2281824A1

1395-EP2284149A1

1395-EP2284150A2

1395-EP2284151A2

1395-EP2284152A2

1395-EP2284153A2

1395-EP2284155A2

1395-EP2284156A2

1395-EP2284157A1

1395-EP2284159A1

1395-EP2284160A1

1395-EP2284162A2

1395-EP2284163A2

1395-EP2284164A2

1395-EP2284169A1

1395-EP2284170A1

1395-EP2284171A1

1395-EP2284172A1

1395-EP2284178A2

1395-EP2284179A2

1395-EP2286795A1

1395-EP2286811A1

1395-EP2286812A1

1395-EP2287140A2

1395-EP2287148A2

1395-EP2287150A2

1395-EP2287153A1

1395-EP2287158A1

1395-EP2287159A1

1395-EP2287161A1

1395-EP2287162A1

1395-EP2287167A1

1395-EP2289510A1

1395-EP2289868A1

1395-EP2289871A1

1395-EP2289876A1

1395-EP2289884A1

1395-EP2289890A1

1395-EP2289892A1

1395-EP2289893A1

1395-EP2289894A2

1395-EP2292222A1

1395-EP2292227A2

1395-EP2292280A1

1395-EP2292590A2

1395-EP2292593A2

1395-EP2292595A1

1395-EP2292597A1

1395-EP2292600A1

1395-EP2292607A2

1395-EP2292613A1

1395-EP2292614A1

1395-EP2292615A1

1395-EP2292617A1

1395-EP2292628A2

1395-EP2295055A2

1395-EP2295402A2

1395-EP2295406A1

1395-EP2295407A1

1395-EP2295409A1

1395-EP2295411A1

1395-EP2295412A1

1395-EP2295413A1

1395-EP2295415A1

1395-EP2295416A2

1395-EP2295419A2

1395-EP2295426A1

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The Henry's Law constant for acetic acid has been experimentally determined to be 1.43X10-7 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that acetic acid is expected to be essentially nonvolatile from water surfaces(2). Acetic acid's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to be an important fate process(SRC). Acetic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 15.7 mm Hg at 25 deg C(3).
Literature: (1) Johnson BJ et al; J Atmos Chem 24: 113-119 (1996) (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. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp (1989)

A log Koc of 0.00 (Koc = 1), which was derived from experimental measurements, has been reported for acetic acid(1,2). According to a classification scheme(3), this Koc value suggests that acetic acid is expected to have very high mobility in soil. No detectable sorption was measured for acetic acid using the OECD Guideline 106 method employing an acidic forest soil, pH 2.8, an agricultural soil, pH 6.7, and a lake sediment, pH 7.1(4). Adsorption of acetic acid to 3 nearshore marine sediments collected from three different locations resulted in Kd values of 0.65 (Koc = 228), 0.085 (Koc = 6.5) and 0.046 (Koc = 27) using clastic mud (3.5% organic carbon, pH 7.0), muddy sand (1.3% organic carbon, pH 7.7), and carbonate sand (0.17% organic carbon, pH 8.1), respectively(5). The pKa of acetic acid is 4.76(6), indicating that this compound will exist partially in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(7).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supplemental material) (2006) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (5) Sansone JF et al; Geochimica et Cosmochimica Acta 51: 1889-1896 (1987) (6) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. New York, NY: Pergamon Press, p. 989 (1979) (7) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Literature: #In 24 hr aqueous adsorption studies using montmorillonite and kaolinite clay adsorbents, 2.4-30.4% of added acetic acid was observed to be in the adsorbed phase(1). In adsorption studies using the adsorbent hydroxyapatite (a mineral which occurs in the environment as a result of the diagenesis of skeletal apatite), only 5% of added acetic acid (in aqueous solution, pH 8.0) became adsorbed to the hydroxyapatite(2). Acetic acid has been noted to leach from biological disposal areas(3).
Literature: (1) Hemphill L, Swanson WS; Proc of the 18th Industrial Waste Conf, Eng Bull Purdue Univ, Lafayette IN 18: 204-17 (1964) (2) Gordon AS, Millero FJ; Microb Ecol 11: 289-98 (1985) (3) Abrams EF et al; Identification of Organic Compounds in Effluents from Industrial Sources. USEPA-560/3-75-002 p. 3 (1975)

MNFOIGQBJZVPCS-UHFFFAOYSA-N

AC1Q5Z3A

AC1L2Z2J

3-carbomethoxy-2,5-dimethylfuran

ZINC388607

AK487201

STL301441

SCHEMBL3179093

Methyl=2,5-dimethyl-furan-3-carboxylate

HE033237

Methyl 2,5-dimethylfuran-3-carboxylate

Methyl 2,5-dimethyl-3-furancarboxylate

DTXSID20210442

Methyl 2,5-dimethylfuran-3-carboxylic acid

methyl 2,5-dimethyl-3-furanoate

2,5-dimethylfuran-3-carboxylic acid methyl ester

KB-202702

Methyl 2,5-dimethyl-3-furoate

AKOS000120253

FT-0648304

MLS004257376

SMR003082508

F0001-1622

MCULE-1364095605

6148-34-1

Methyl 2,5-dimethyl-3-furancarboxylate, 95%

methyl ester of 2,5-dimethyl-3-furoic acid

EINECS 228-155-1

3-Furancarboxylic acid, 2,5-dimethyl-, methyl ester

MolPort-003-928-814

3-Furoic acid, 2,5-dimethyl-, methyl ester

Acorenol

XDVDHFJMCJWDPI-YOYPFHDYSA-N

.alpha.-acorenal

.alpha.-Acorenol

QEBNYNLSCGVZOH-IPYPFGDCSA-N

AC1O5D7J

(+)-eremophilene

CHEBI:137562

ZINC100779031

Eremophila-1(10),11-diene

3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene #

(3S,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

(3S,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene

Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S,7R,8aR)-

Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,7.alpha.,8a.alpha.)]-

alpha-Methylbutyrolactone

methyl-butyrolactone

QGLBZNZGBLRJGS-UHFFFAOYSA-N

Gama-Valerolactone

2-methylbutyrolactone

alpha-Methyl-gamma-butyrolactone

2-Methylbutanolide

.alpha.-Methylbutyrolactone

ALPHA-METHYL-@-BUTYROLACTONE

AC1Q2RAU

2-Methyl-gamma-butyrolactone

Furanone, dihydromethyl-

3-methyltetrahydrofuran-2-one

2-methyl-gamma-butyro-lactone

3-methyldihydrofuran-2-one

CHEMBL36365

CTK1B6260

M1100

W3659

4-Hydroxy-2-methylbutanoic acid lactone

2-Methyl-4-butanolide

4-Hydroxy-2-methylbutyric acid lactone

AC1L4033

3-methyloxolan-2-one

SCHEMBL105334

alpha-Methyl-gamma-butyrolactone, 98%

2-Methyl-.gamma.-butyrolactone

EN002275

HE009418

HE317155

HE338493

NSC102837

KB468154

FCH1114986

CC-24010

BR-49468

AX8113541

ANW-47623

SC-20996

ST2405143

AK-49468

AB0022738

MFCD00005396

.alpha.-Methyl-.gamma.-butyrolactone

3-Methyl-dihydro-furan-2-one

C-30271

3-methyldihydrofuran-2(3H)-one

RT-003826

DB-043724

KB-236638

3-Methyldihydro-2(3H)-furanone

AM20090007

NSC-102837

AKOS015900293

J-010416

FT-0622180

2(3H)-Furanone, dihydromethyl-

I14-10761

3-methyl-dihydrofuran-2(3H)-one

EN300-94873

Dihydro-3-methyl-2(3H)-furanone

1679-47-6

EINECS 216-846-0

36541-25-0

MolPort-003-926-035

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

alpha-Methyl-gamma-butyrolactone, purum, >=97.0% (GC)