Methylmercaptaan

Mercaptomethane

Metilmercaptano

methylsulfanium

Methylmercaptan

Methaanthiol

Thiomethanol

methanethiol

Methanethiole

Thiomethane

Mercaptan methylique

Methanthiol

Methvtiolo

(Mercaptomethyl)polystyrene

LSDPWZHWYPCBBB-UHFFFAOYSA-N

Methyl sulfhydrate

Thiomethyl alcohol

Methyl thioalcohol

METHYL MERCAPTAN

methyl-mercaptan

methane thiol

methyl thiol

methyl-thiol

Methanethiol, purum

CH3SH

Methanethiol-S-d

Mercaptan C1

Metilmercaptano [Italian]

Metilmercaptano [Spanish]

Methylmercaptaan [Dutch]

Methanthiol [German]

Methvtiolo [Italian]

Z22

Mercaptan methylique [French]

AC1L1A8B

Methaanthiol [Dutch]

Methyl mercaptan (natural)

UN1064

CTK2H7493

HSDB 813

HMDB03227

C00409

2X8406WW9I

RCRA waste number U153

OR332408

NSC229573

OR000105

OR164971

OR230018

OR230158

UN 1064

DTXSID5026382

Methanethiol, >=98.0%

LS-2938

CHEBI:16007

UNII-2X8406WW9I

Methanethiol, 98.0%

AN-23827

SC-46829

NSC-229573

AKOS009157032

RCRA waste no. U153

BRN 1696840

FEMA No. 2716

FT-0696326

74-93-1

EINECS 200-822-1

63933-47-1

17719-48-1

InChI=1/CH4S/c1-2/h2H,1H

Methyl mercaptan [UN1064] [Poison gas]

(Mercaptomethyl)polystyrene, extent of labeling: ~2.0 mmol/g S loading

5188-07-8 (hydrochloride salt)

Methyl mercaptan [UN1064] [Poison gas]

4-01-00-01273 (Beilstein Handbook Reference)

21094-80-4 (mercury(2+) salt)

35029-96-0 (lead(2+) salt)

The Henry's Law constant for methyl mercaptan is estimated as 0.0031 atm-cu m/mole(SRC) derived from its vapor pressure, 1,510 mm Hg(1), and water solubility, 15,400 mg/L(2). This Henry's Law constant indicates that methyl mercaptan is expected to volatilize rapidly 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 0.8 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 2.8 days(SRC). Methyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces is expected to occur(SRC). Methyl mercaptan is expected to volatilize rapidly from dry soil surfaces based upon its vapor pressure and because it is a gas a temperatures above 6 deg C(SRC). However, gaseous methyl mercaptan gas has been found to strongly adsorb to moist and dry soil surfaces suggesting that adsorption might be an environmental sink for methyl mercaptan(4). Therefore, the importance of volatilization from soil surfaces may be attenuated by adsorption(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Smith KA et al; Soil Sci 116: 313-9 (1973)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of methyl mercaptan can be estimated to be 13(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl mercaptan is expected to have very high mobility in soil. Gaseous methyl mercaptan has been observed to partition to soils(3). For example, when gaseous methyl mercaptan was passed over six air-dried and moist (50% field capacity) soils, 2.4-32.1 mg/g and 2.2-21.4 mg/g of methyl mercaptan rapidly adsorbed to the dry and moist soils, respectively(3). Neither the capacity or rate of sorption was correlated to soil pH, organic matter content, or clay content; sterile controls ruled out the involvement of microorganisms(3); it was suggested that adsorption to soil surfaces might be an environmental sink for gaseous methyl mercaptan(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of July 19, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Smith KA et al; Soil Sci 116: 313-9 (1973)

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)

Heptadecanecarboxylic acid

octadecanoicacid

Octadecansaeure

Oktadekansaeure

Stearinsaeure

Stearophanate

1-Heptadecanecarboxylate

acide octadecanoique

Industrene

Jinhwagwangsu Bubble

Prodhygine

Stearicacid

Acidum stearinicul

Dermarone

Hystrene

Jinhwagwangsu Hair

Octadecanoic acid

Promulsin

QIQXTHQIDYTFRH-UHFFFAOYSA-N

Stearate

Stearophanic acid

acide stearique

Cetylacetic acid

n-Octadecanoate

octadecoic acid

Stearex

Tsubaki

Vanicol

1-Heptadecanecarboxylic acid

Lunac

Pearl stearic

Proviscol wax

Stearex Beads

Stearic acid_ravikumar

Barolub FTA

Edenor FHTI

Flexichem B

Industrene R

N-octadecanoic acidd

STE

stearic acid

Steric acid

Glycon DP

Glycon TP

Humko Industrene R

Isostearic acid EX

n-Octadecanoic acid

n-Octadecylic acid

Stearic Acid Cherry

Stearic Acid Triple-Pressed

Triple Pressed Stearic Acid

1hmr

1hmt

4fnn

Kiri stearic acid

Lunac YA

Obeo Baby Bubble

Vis-Plus

Stearic Acid & Glycerin

Stearic acid, analytical standard

17FA

3v2p

SCHEMBL659

Stearic Acid NF Powder

AC1Q2W3T

Hystrene 80

4ELV7Z65AP

ACMC-1AR8K

Bonderlube 235

Edenor C18

Groco 55L

Stearic acid, pure

Sunfat 18S

Tegostearic 254

Tegostearic 255

Tegostearic 272

WO 2

875D

AC1L1K05

AC1Q2W39

E570

Edenor ST 1

Emersol 153NF

Groco 54

Groco 55

Groco 58

Groco 59

GTPL3377

Haimaric MKH(R)

Hystrene 9718NFFG

I727

KSC269I2T

Lunac 30

Nonsoul SK 1

Stearic acid, CP

Stearic Acid, High Purity

CHEMBL46403

Emersol 120

Emersol 132

Emersol 150

Emersol 153

Emersol 871

Emersol 875

Emery 875D

Formula 300

Hystrene 9718NF

Industrene 4518

Industrene 5016

Industrene 5016K

Industrene 8718

Industrene 9018

Pristerene 4900

Pristerene 4904

Pristerene 4963

Pristerene 9429

Pristerene 9559

Selosol 920

UNII-4ELV7Z65AP

CTK1G9429

Edenor ST 20

Emery 871

HMDB00827

Hydrofol 1895

Hydrofol Acid 150

Hystrene 4516

Hystrene 5016

Hystrene 7018

Hystrene 9718

Hystrene S 97

Hystrene S-97

Hystrene T 70

Hystrene T-70

Kortacid 1895

Lunac S 90KC

Prisorine 3501

Prisorine 3502

Prisorine 3508

Radiacid 0427

S0163

Serfax MT 90

Stearic Acid - Triple Pressed

Stearic Acid (Fragrance Grade)

Stearic acid, puriss.

Century 1210

Century 1220

Century 1224

Century 1230

Century 1240

Dar-chem 14

DB03193

Emersol 6349

Glycon S-70

Glycon S-80

Glycon S-90

Loxiol G 20

Lunac S 20

Lunac S 30

Lunac S 40

Lunac S 50

Lunac S 90

Lunac S 98

NAA 173

NE10227

Neo-Fat 18

NSC25956

Octadecanoic acid (9CI)

PD 185

Prifac 2918

RL04156

SA 200

Stearic Acid 110

Stearic Acid 120

Stearic Acid 420

Stearic Acid High Purity 90%

Stearic acid, >=98%

Unimac 5680

Unister NAA 180

VLZ 200

bmse000485

C-Lube 10

C01530

C18:0

CCRIS 2305

D00119

G 270

HSDB 2000

Hydrofol acid 1655

Hydrofol acid 1855

Hydrofol Acid 1895

Industrene 7018 FG

S 300

Stearic Acid - High Purity

Stearic Acid (Powder/Beads/Flakes)

Stearic acid (TN)

WLN: QV17

AK109520

BBL012224

BC207369

DTXSID8021642

Edenor HT-JG 60

FA 1655

Hystrene 7018 FG

Kam 1000

Kam 2000

Kam 3000

LP093764

LS-1388

SBB060276

ST023799

Stearic acid [USAN:JAN]

Stearic acid, European Pharmacopoeia (EP) Reference Standard

STL163565

T16-55F

A 1760

AFCO-Chem B 65

CHEBI:28842

DSSTox_CID_1642

Stearic acid (8CI)

Stearic acid [JAN:NF]

Stearic Acid 153 NF

Stearic Acid, pharmaceutical secondary standard; traceable to USP and PhEur

ZINC4978673

AB1002380

AN-23575

ANW-13575

Caswell No. 801D

DSSTox_GSID_21642

F 3 (lubricant)

LS-85169

Neo-Fat 18-S

NSC 25956

NSC-25956

SC-81164

ST2419874

Stearic Acid High Purity 90% V

Stearic acid, certified reference material, TraceCERT(R)

Stearic acid, United States Pharmacopeia (USP) Reference Standard

(1-14c)octadecanoic acid

Adeka Fatty Acid SA 910

BB_NC-2187

BDBM50240485

DSSTox_RID_76256

HY-Phi 1199

HY-Phi 1205

HY-Phi 1303

HY-Phi 1401

Hystrene 9718 NF FG

LMFA01010018

MFCD00002752

Stearic Acid - 65%

Stearic Acid - 70%

UNII-X33R8U0062 component QIQXTHQIDYTFRH-UHFFFAOYSA-N

AI3-00909

NSC 261168

RTR-021907

Stearic Acid Flake 132 NF Flake

TR-021907

AKOS005716958

EPA Pesticide Chemical Code 079082

Nonsoul SN 1 (*Sodium salt*)

Stearic acid, reagent grade, 95%

BRN 0608585

Edenor C 18/98

FEMA No. 3035

FT-0689088

Melting Point Standard 69-71C, analytical standard

Neo-Fat 18-53

Neo-Fat 18-54

Neo-Fat 18-55

Neo-Fat 18-59

Neo-Fat 18-61

Stearic acid (JP15/NF)

Stearic acid (JP17/NF)

STEARIC ACID, U.S.P.

WO 2 (fatty acid)

57-11-4

I04-10522

Z955123678

Agar Agar Type K-100 NF

Emersol 110 (Salt/Mix)

Fatty acids, C16-20

Hydrofol Acid 150 (VAN)

Stearic Acid 400 (Rubber Grade)

Tox21_111154

Tox21_201887

Tox21_300562

C18:0 (Lipid numbers)

CH3-[CH2]16-COOH

Emery 400 (Salt/Mix)

F0001-1489

400JB9103-88

CAS-57-11-4

S 300 (fatty acid)

SA 400 (fatty acid)

SNA-2000 (*Sodium salt*)

8013-28-3

8023-06-1

8037-40-9

8037-83-0

8039-51-8

8039-52-9

8039-53-0

8039-54-1

MCULE-5127577640

NCGC00091596-01

NCGC00091596-02

NCGC00091596-03

NCGC00091596-04

NCGC00091596-05

NCGC00254456-01

NCGC00259436-01

EINECS 200-313-4

EINECS 250-178-0

EINECS 273-087-8

Stearic acid, >=95%, FCC, FG

Stearic acid, technical, 90% 1kg

39390-61-9

57485-56-0

58392-66-8

68937-76-8

82497-27-6

Stearic acid 50, tested according to Ph.Eur.

Stearic acid, SAJ special grade, >=95.0%

SR-01000944717

Stearic acid, SAJ first grade, >=90.0%

Stearic acid, Vetec(TM) reagent grade, 94%

Tox21_111154_1

Vegetable Stearic Acid 7036 FG, Kosher, NF

126539-56-8

134503-33-6

135152-99-7

197923-10-7

294203-07-9

294203-15-9

609343-71-7

MolPort-002-317-291

1245726-94-6

S 30C S 30C (fatty acid)

Stearic acid, SAJ first grade, >=90.0%, powder

SR-01000944717-1

Stearic acid, Grade I, >=98.5% (capillary GC)

Stearic acid, puriss., >=98.5% (GC)

4-02-00-01206 (Beilstein Handbook Reference)

CD7993EA-AD14-452A-A907-33376CC98790

InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20

An estimated pKa of 4.7(1) indicates stearic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Stearic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.3X10-8 mm Hg at 25 deg C(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 5, 2008. (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Domination. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Pub. Corp 4 Vol (1989)

The Koc of undissociated stearic acid is estimated as 710,000(SRC), using a log Kow of 8.23(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated stearic acid is expected to be immobile in soil. The estimated pKa of stearic acid is 4.75(4), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). However, the adsorption of stearate, the anion of stearic acid, was determined using relatively nonpolar marine sediment sand surfaces: anoxic clastic mud from Cape Lookout Bight, NC (3.5 g/g organic carbon, clay), fine carbonate beach sand from Kahana Stream, Oahu, HI (1.3 g/g organic carbon, fine sand and silty clay), and a fine carbonate sand from Waimanalo Beach, Oahu, HI (0.17 g/g organic carbon, fine-very fein sand)(6) Stearate exhibited Kds of 210, 140 and 36, respectively; overall averaging 99% adsorption(6).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (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) (4) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 5, 2008. (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (6) Sansone FJ et al; Geochimica et Cosmochimica Acta 51: 1889-96 (1987)

Pelargonsaeure

NoEthaCoEa

Nonansaeure

FBUKVWPVBMHYJY-UHFFFAOYSA-N

Nonanoate

Pelargon

pergonate

nonans

Pelargonic acid

1-octanecarboxylate

n-Pelargonate

NONANOIC ACID

Pelargic acid

pergonic acid

Caprylic-Capric Acid

IioA inverted question markuEa

KNA

Nonoic acid

Nonylic acid

1-Octanecarboxylic acid

8-carboxyoctyl

n-Nonoate

n-Nonylate

Nonanoic Acid Anion

1-Octanecarboxyic acid

n-pelargonic acid

Nonanoic acid, analytical standard

1-nonanoate

n-Nonanoic acid

n-Nonylic acid

3sz1

n-Nonoic acid

1-nonanoic acid

AC1L1QE7

AC1Q2VX7

AC1Q5W5X

Acid C9

octan-1 carboxylic acid

Pelargon [Russian]

Cirrasol 185A

Hexacid C-9

KSC175A3N

C9H18O2

SCHEMBL21966

C9:0

CTK0H5036

HMDB00847

N0288

P0952

QSPL 030

WLN: QV8

ACMC-2099ce

Caprylic-Capric Acid 658

CHEMBL108436

Nonanoic acid, >=97%

NSC62787

Pelargonic Acid 1202

97SEH7577T

bmse000499

C01601

Emery 1202

Emery 1203

Emery's L-114

Emfac 1202

HMS2269L08

HSDB 5554

Nonanoic acid, 96%

BBL027459

DTXSID3021641

Jsp000917

LP067835

LP097946

LS-2986

SBB058693

STL372710

A802476

CHEBI:29019

DSSTox_CID_1641

UNII-97SEH7577T

ZINC1529234

AN-43106

ANW-16380

DSSTox_GSID_21641

KB-58725

NSC 62787

NSC-62787

BB_SC-7262

DSSTox_RID_76255

Fatty acids, C8-1O

LMFA01010009

MFCD00004433

AI3-04164

CCG-231471

NCIOpen2_000142

NCIOpen2_000179

NCIOpen2_001763

NCIOpen2_002882

NCIOpen2_003483

RTR-002359

ST51037369

TR-002359

AKOS000118981

BB_SC-07262

EPA Pesticide Chemical Code 217500

Nonanoic acid, >=96%, FG

Q-201488

S04-0163

BRN 1752351

Fatty acids, C6-12

Fatty acids, C8-10

FEMA No. 2784

FT-0660055

FT-0695195

MLS001066339

SMR000112203

CH3-[CH2]7-COOH

Tox21_202426

Tox21_300022

112-05-0

NONANOIC ACID MFC9 H18 O2

Z1258948135

Nonanoic acid, natural, 98%, FG

Emery 1202 (Salt/Mix)

MCULE-4736597375

NCGC00164328-01

NCGC00164328-02

NCGC00164328-03

NCGC00253958-01

NCGC00259975-01

CAS-112-05-0

EINECS 203-931-2

EINECS 273-086-2

58253-02-4

68937-75-7

MolPort-000-881-522

83478-EP2305655A2

14047-60-0 (hydrochloride salt)

5112-16-3 (cadmium salt)

23282-34-0 (potassium salt)

7640-78-0 (zinc salt)

29813-38-5 (calcium salt)

4-02-00-01018 (Beilstein Handbook Reference)

F57B4D17-8824-403B-AE1B-FA425608BB39

InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11

A pKa of 4.95(1) indicates nonanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Nonanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.65X10-3 mm Hg(3).
Literature: (1) Dean JA; Handbook of Organic Chemistry, NY, NY: McGraw-Hill, Inc p. 8-45 (1987) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng., Washington, DC: Taylor & Francis, Vol 4 (1995)

The Koc of undissociated nonanoic acid is estimated as 1,700 for the free acid(SRC), using a log Kow of 3.42(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated nonanoic acid is expected to have low mobility in soil. The pKa of nonanoic acid is 4.95(4), indicating that this compound will exist almost entirely 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(5).
Literature: (1) Sangster J; LOGKOW Databank, Sangster Res Lab, Montreal Quebec, Canada (1994) (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) (4) Dean JA; Handbook of Organic Chemistry, NY, NY: McGraw-Hill, Inc p. 8-45 (1987) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)