propanecarboxylate

Buttersaeure

Propanecarboxylic acid

butanate

butanoate

butyrate

FERIUCNNQQJTOY-UHFFFAOYSA-N

propylformic acid

1-propanecarboxylate

acide butanoique

acide butyrique

Ethyacetic Acid

ethylacetic acid

Kyselina maselna

butanoic acid

BUA

Butanic acid

butoic acid

butyric acid

BUTYRIC_ACID

Honey robber

NATURAL BUTYRIC ACID

1-propanecarboxylic acid

1ugp

3umq

AC1Q2UNL

ethyl acetic acid

Sodium n-butyrate

1-butanoate

1-butyrate

2-butanoate

Butyric acid, analytical standard

n-Butanoic acid

n-Butyric acid

Buttersaeure [German]

Butyrate, sodium salt

1-butanoic acid

AC1L18UM

1-Butyric acid

n-C3H7COOH

Nat. Butyric Acid

GTPL1059

Kyselina maselna [Czech]

ACMC-1C12J

Butyric acid (natural)

CHEMBL14227

NSC8415

TNFa + Sodium Butyrate

UN2820

40UIR9Q29H

B0754

BDBM26109

butanoic acid, 4

Butyric Acid (Normal)

C4:0

CTK0H6694

HMDB00039

HSDB 940

TNFa + NaBut

V2319

WLN: QV3

Butyric acid, >=99%

DB03568

LS-443

RL00334

bmse000402

C00246

CCRIS 6552

LTBB001653

UNII-40UIR9Q29H

ZINC895132

DTXSID8021515

FEMA Number 2221

LP066716

N-butyric acid, ethyl acetic acid

NSC 8415

NSC-8415

OR034221

OR199535

OR253313

STL169349

UN 2820

CHEBI:30772

DSSTox_CID_1515

PROPYL, 3-CARBOXY-

AN-42840

ANW-15867

BP-21420

CCG-35836

DSSTox_GSID_21515

KB-48536

NCIMech_000707

SC-11907

DSSTox_RID_76192

LMFA01010004

MFCD00002814

AI3-15306

RTR-001881

TR-001881

AKOS000118961

Butyric acid, >=99%, FG

W-108732

Bio1_000444

Bio1_000933

Bio1_001422

BRN 0906770

FEMA No. 2221

FT-0623295

FT-0686717

C4:0 (Lipid numbers)

CH3-[CH2]2-COOH

I14-10596

Z955123634

NCI60_001424

Tox21_202382

Tox21_300164

107-92-6

F2191-0094

1977-33-9

MCULE-4116382006

NCGC00247914-01

NCGC00247914-02

NCGC00253919-01

NCGC00259931-01

Butyric acid, 99% 100ml

CAS-107-92-6

EINECS 203-532-3

Butyric acid, SAJ special grade, >=99.5%

Butyric acid [UN2820] [Corrosive]

Butyric acid, natural, >=99%, FCC, FG

MolPort-001-769-669

24113-EP2272827A1

24113-EP2275401A1

24113-EP2281819A1

24113-EP2284146A2

24113-EP2284147A2

24113-EP2292611A1

24113-EP2292619A1

24113-EP2298763A1

24113-EP2298772A1

24113-EP2305633A1

24113-EP2305659A1

24113-EP2305808A1

24113-EP2308839A1

24113-EP2311810A1

24113-EP2311818A1

24113-EP2311825A1

24113-EP2311840A1

24113-EP2314590A1

24113-EP2380661A2

31560-EP2292597A1

31560-EP2295053A1

31560-EP2308858A1

31560-EP2311816A1

31560-EP2311817A1

81544-EP2275407A1

81544-EP2305687A1

81544-EP2305808A1

81544-EP2305825A1

Butyric acid [UN2820] [Corrosive]

butanoic acid, butanic acid, n-butyric acid, ethylacetic acid, propylformic acid, 1-propanecarboxylic acid

4-02-00-00779 (Beilstein Handbook Reference)

9B27B3D0-9643-40EC-9A5F-7CA1A6ED7F9F

InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6

The Henry's Law constant for n-butanoic acid is measured as 5.35X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that n-butanoic acid 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 64 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 471 days(SRC). A pKa of 4.82(3) indicates n-butanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(4). n-Butanoic acid's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Butanoic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.65 mm Hg(5).
Literature: (1) Butler JAV, Ramchandani CN; The Solubility of Non-Electrolytes. Part 2. J Chem Soc pp. 1952-5 (1935) (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. Techniques of Chemistry 4th ed. New York, NY, Wiley-Interscience 2 pp. 1325 (1986) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (5) Lide DR, ed; CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press (1995)

The Koc of n-butanoic acid is estimated as 64(SRC), using a log Kow of 0.79(1) and a regression-derived equation(2). Experimental Koc values for n-butanoic acid on a clastic mud (3.5% organic carbon), a lateritic muddy sand (1.3% organic carbon), and a fine carbonate sand (0.17% organic carbon) were 19.1, 27.6, and 14.7, respectively(3). According to a classification scheme(4), these estimated and experimental Koc values suggest that n-butanoic acid is expected to have very high to high mobility in soil. The percent of n-butanoic acid sorbed to a kalonite or montmorillonite clay at 22 deg C was 14.0% and 19.9% after 48 hours, respectively, which increased to 31.4% and 24.2%, respectively, after 144 hours(5). In a field study in which 100 ppm n-butanoic acid was injected underground, the retardation, relative to the linear ground-water velocity, was calculated to be 3%(6). N-butanoic acid is listed as a compound displaying an L-type adsorption isotherm, indicating that specific binding sites may be involved(7). Experimental studies in indicate that adsorption of n-butanoic acid to moist soil is dominated by attractive forces between the compound and soil and not by hydrophobic interactions(8). The pKa of n-butanoic acid is 4.82(9), indicating that this compound will primarily exist in the anion in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(10).
Literature: (1) Sansone FJ et al; Geochim Cosmochim Acta 51: 1889-96 (1987) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Hemphill L et al; Proc 18th Indust Waste Conf 18: 204-17 (1964) (4) Sutton PA, Barker JF; Ground Water 23: 10-6 (1985) (5) Weber JB, Miller CT; Reactions and Movement of Organic Chemicals in Soils, SSSA Spec Publ No. 22: 305-33 (1989) (6) Ulrich H et al; Env Sci Tech 22: 37-41 (1988) (7) Riddick JA et al; Organic Solvents. Techniques of Chemistry 4th ed. New York, NY, Wiley-Interscience 2:pp. 1325 (1986) (8) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Pentanecarboxylic acid

pentylformate

capronate

FUZZWVXGSFPDMH-UHFFFAOYSA-N

hexylate

Kyselina kapronova

Pentylformic acid

1-pentanecarboxylate

Butylacetic acid

Pentiformic acid

Capronic acid

HEXANOIC ACID

Caproic acid

Hexoic acid

Hexylic acid

1-Pentanecarboxylic acid

5-carboxypentyl

hexansäure

n-caproate

n-hexoate

n-hexylate

AC1Q2VOK

Hexanoic acid Caproic acid

Hexanoic acid, analytical standard

Nat.Hexanoic Acid

1-hexanoate

ACMC-1BTHO

n-Caproic acid

n-Hexanoic acid

n-Hexylic acid

n-Hexoic acid

1-Hexanoic acid

AC1L1RW7

Acid C6

Pentane-1-carboxylic acid

Kyselina kapronova [Czech]

methyl 5-pentanoic acid

SCHEMBL3867

ethyl 4-butanoic acid

KSC177A6N

M557

CHEMBL14184

Hexacid 698

Hexanoic acid (natural)

NSC8266

UN2829

1F8SN134MX

BDBM16433

C6:0

CTK0H7066

HMDB00535

WLN: QV5

hexanoic acid (caproic acid)

Hexanoic acid, >=99%

RP19238

5-Carboxypentyl-Sepharose® 4B N-succinimidyl ester

bmse000351

C01585

CCRIS 1347

CH3(CH2)4COOH

Hexanoic acid, 99%

HSDB 6813

UNII-1F8SN134MX

AN-1410

DTXSID7021607

LP071647

LP097943

LS-2796

NSC 8266

NSC-8266

SBB053586

(C6-C12)Alkylcarboxylic acid

CHEBI:30776

DSSTox_CID_1607

Fatty Acid 1210

ZINC1529230

ANW-20709

DSSTox_GSID_21607

HEXANOIC ACID (CAPROIC ACID)

TRA0069554

DSSTox_RID_76233

LMFA01010006

MFCD00004421

AI3-07701

NCIOpen2_005355

RTR-035704

ST51046281

TR-035704

(C5-C9) Monobasic acids

(C6-C12) Alkylcarboxylic acid

AKOS000119844

I04-1053

J-007673

BRN 0773837

FEMA No. 2559

FT-0659402

C6:0 (Lipid numbers)

CH3-[CH2]4-COOH

Z955123566

Tox21_201517

Tox21_300406

142-62-1

Hexanoic acid, natural, >=98%, FCC

8040-17-3

Hexanoic acid, >=98%, FCC, FG

MCULE-1671810139

NCGC00248020-01

NCGC00248020-02

NCGC00254504-01

NCGC00259067-01

CAS-142-62-1

EINECS 205-550-7

EINECS 267-013-3

EINECS 271-676-4

EINECS 274-509-3

51109-46-7

53896-26-7

68603-84-9

70248-25-8

Caproic acid [UN2829] [Corrosive]

Hexanoic acid, natural, >=98%, FCC, FG

MolPort-001-769-761

11034-EP2269610A2

11034-EP2270002A1

11034-EP2277848A1

11034-EP2284146A2

11034-EP2284147A2

11034-EP2289510A1

11034-EP2298313A1

11034-EP2316457A1

11034-EP2316458A1

11034-EP2316825A1

11034-EP2316826A1

11034-EP2316827A1

11034-EP2316828A1

16407-EP2275401A1

16407-EP2281563A1

16407-EP2284160A1

16407-EP2289890A1

16407-EP2305646A1

16407-EP2305687A1

16407-EP2311824A1

16407-EP2311842A2

16407-EP2316459A1

16407-EP2374787A1

16420-EP2275401A1

16420-EP2281563A1

16420-EP2289890A1

16420-EP2305646A1

16420-EP2311842A2

16420-EP2316459A1

Caproic acid [UN2829] [Corrosive]

Hexanoic acid, purum, >=98.0% (GC)

19455-00-6 (potassium salt)

10051-44-2 (sodium salt)

38708-95-1 (calcium salt)

4-02-00-00917 (Beilstein Handbook Reference)

25401AB4-1ECB-481F-AC91-EAAFC9329BDD

16571-42-9 (manganese(2+) salt)

13476-79-4 (copper(2+) salt)

Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-

InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8

The pKa of hexanoic acid is 4.88(1), indicating that this compound will exist predominantly as an anion under environmental conditions. Volatilization will not occur from water and moist soils since anions do not volatilize(SRC). Hexanoic acid is not expected to volatilize from dry soil surfaces(SRC), based upon an extrapolated vapor pressure of 0.0435 mm Hg at 25 deg C(2).
Literature: (1) Riddick, JA et al;. Techniques of Chemistry 4th ed Volume II. Organic Solvents. New York, NY: John Wiley and Sons, pp 372 (1985)(2) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation, NY: Hemisphere Pub Corp (1989)

Koc values of 26, 24 and 37 have been experimentally measured, for an acidic forest soil (pH 2.8, 4.85% organic carbon), agricultural soil (pH 6.7, 1.25% organic carbon), and a lake sediment (pH 7.1, 1.58% organic carbon), respectively(1). According to a classification scheme(2), these measured Koc values suggest that hexanoic acid is very highly mobile in soil(SRC). In addition, the pKa of hexanoic acid is 4.88(3), indicating that this compound will primarily exist as an anion in the environment, and anions generally possess high mobility in soil(4).
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Riddick, JA et al;. Techniques of Chemistry 4th ed Volume II. Organic Solvents. New York, NY: John Wiley and Sons, pp 372 (1985) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Pelargonaldehyde

Nonylaldehyde

Nonanaldehyde

Nonaldehyde

Pelargonic aldehyde

GYHFUZHODSMOHU-UHFFFAOYSA-N

Nonanoic aldehyde

n-Nonylaldehyde

Nonylic aldehyde

Nonoic aldehyde

NONANAL

n-Nonaldehyde

Nonyl aldehyde

n-Nonanal

Nonanal, analytical standard

AC1Q2VXK

1-Nonaldehyde

n-NONYL ALDEHYDE

Aldehyde C9

1-Nonanal

1-Nonyl aldehyde

AC1L1LC8

2L2WBY9K6T

NONYL ALDEHYDE,N-

ACMC-1BPU8

C-9 aldehyde

Aldehyde C-9

2984AD

NSC5518

UNII-2L2WBY9K6T

SCHEMBL22860

WLN: VH8

Nonanal, 95%

QSPL 015

CTK0H8261

CCRIS 664

N0296

C9-11-Aldehydes

Nonyl aldehyde, n-

LS-694

C9-11 Aldehydes

n-Nonan-1-al

HSDB 7229

NSC 5518

NSC-5518

SBB059872

SCHEMBL8876408

LP109307

CHEMBL2228376

DTXSID9021639

ZINC1686990

NCI-C61018

C-4492

CHEBI:84268

DSSTox_CID_1639

TRA0004138

KB-58723

AN-43522

ANW-18196

DSSTox_GSID_21639

MFCD00007030

DSSTox_RID_76253

Nonanal, >=95%, FCC

LMFA06000040

ST51046137

TR-003756

DB-041769

AI3-04859

RTR-003756

J-005053

AKOS009158987

FEMA No. 2782

FT-0631724

BRN 1236701

I14-13650

Tox21_303603

Nonanal, natural, 97%, FG

124-19-6

NCGC00257442-01

EINECS 278-296-8

CAS-124-19-6

EINECS 204-688-5

918959-88-3

MolPort-001-783-881

4-01-00-03352 (Beilstein Handbook Reference)

The Henry's Law constant for nonanal is 7.34X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that nonanal 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). Nonanal's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Nonanal is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.37 mm Hg(3) and the detectable odor.
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)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of nonanal can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that nonanal 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 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)