phenylacetaldehyde

2-phenylacetaldehyde

122-78-1

Benzeneacetaldehyde

Hyacinthin

Phenylethanal

alpha-Tolualdehyde

2-Phenylethanal

Phenylacetic aldehyde

Oxophenylethane

alpha-Toluic aldehyde

Acetaldehyde, phenyl-

Benzylcarboxaldehyde

1-Oxo-2-phenylethane

Phenacetaldehyde

phenyl acetaldehyde

phenyl-Acetaldehyde

.alpha.-Tolualdehyde

Benzacetaldehyde

Phenylacetaldehyde (natural)

alpha-Phenylacetaldehyde

Benzenacetaldehyde

.alpha.-Toluic aldehyde

FEMA No. 2974

UNII-U8J5PLW9MR

NSC 406309

U8J5PLW9MR

EINECS 204-574-5

alpha-Tolyaldehyde

Acetaldehyde, phenyl- (8CI)

DTXSID3021483

CHEBI:16424

AI3-02175

NSC-406309

a-Tolyaldehyde

DTXCID501483

FEMA NO. 2874

CAS-122-78-1

benzeneethanal

a-Tolualdehyde

2-phenylethanone

a-toluic aldehyde

Phenylacetoaldehyde

benzene acetaldehyde

a-Phenylacetaldehyde

2-phenyl-acetaldehyde

bmse000427

NCIOpen2_003602

Phenylacetaldehyde, >=90%

SCHEMBL18972

PHENYLACETALDEHYDE [MI]

PHENYLACETALDEHYDE [FCC]

CHEMBL1233464

PHENYLACETALDEHYDE [FHFI]

STR00412

Tox21_201582

Tox21_302945

MFCD00006993

NSC406309

s9357

AKOS000119316

CCG-266073

CS-W011205

DB02178

HY-W010489

MCULE-3725701027

Phenylacetaldehyde, >=95%, FCC, FG

NCGC00249076-01

NCGC00256522-01

NCGC00259131-01

DB-041686

NS00013128

P0119

EN300-18996

C00601

D78329

10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1

A804962

Q424998

doi:10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1

Q-201558

F2190-0653

Z104472146

D60A2590-0A65-4BA8-A05B-D8423408535C

InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H

2-PENTYLFURAN

3777-69-3

2-Amylfuran

2-n-Pentylfuran

Furan, 2-pentyl-

Furan, pentyl-

PENTYLFURAN

FEMA No. 3317

6I0QAJ1JZQ

DTXSID9047679

CHEBI:89197

64079-01-2

2-Pentylfuran (natural)

2-(N-Pentyl)furan

EINECS 223-234-7

UNII-6I0QAJ1JZQ

BRN 0107854

2-pentylfurane

CCRIS 8807

2-pentyl-furan

2-Pentylfuran; 2-Amylfuran; 2-n-Pentylfuran; Dihydro-5-pentyl-2(hydro)-furan

Furane, 2-pentyl

MFCD00036497

AMYLFURAN

5-17-01-00390 (Beilstein Handbook Reference)

2-Amylfuran; 2-Pentyl furan

2-PENTYLFURAN [FHFI]

Amyl furan (2-Pentyl furan)

SCHEMBL221257

CHEMBL3182720

DTXCID7027679

2-Pentylfuran, >=98%, FG

FEMA 3317

2-Pentylfuran, analytical standard

HY-N7398

Tox21_303542

s9334

AKOS015913798

SB61015

NCGC00257337-01

BS-22948

PD144438

CAS-3777-69-3

DB-003325

CS-0119428

NS00011970

P1209

2-Pentylfuran 100 microg/mL in Acetonitrile

2-Pentylfuran, natural (US), >=97%, FG

H11330

EN300-7399562

A823863

W-106514

Q27161382

Z1255423587

Cedrelanol

T-Cadinol

tau-Cadinol

5937-11-1

T Cadinol

epi-alpha-Cadinol

10-Epi-alpha-Cadinol

(1S,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

10beta-cadin-4-en-10-ol

epi-Cadinol

10-Epicadinol

SCHEMBL3679160

CHEMBL2228955

CHEBI:138042

1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-(1alpha,4alpha,4aalpha,8abeta))-

10betaH-Cadin-4-en-10-ol (8CI)

C21695

Q67865683

(1S,4S,4aR,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol

alpha-TERPINEOL

Terpineol

98-55-5

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

p-Menth-1-en-8-ol

8000-41-7

dl-alpha-Terpineol

1-p-Menthen-8-ol

Terpenol

Terpineol 350

1-Menthene-8-ol

Terpineol schlechthin

CARVOMENTHENOL

TERPINEOLS

.alpha.-Terpineol

Terpilenol, alpha-

8006-39-1

FEMA No. 3045

FEMA Number 3045

alpha-Terpineol (natural)

1-Methyl-4-isopropyl-1-cyclohexen-8-ol

2-(4-Methyl-3-cyclohexenyl)-2-propanol

alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol

ALFA-TERPINEOL

alpha-Terpinenol

CCRIS 3204

HSDB 5316

1-Methyl-4-isopropyl-1-cyclohexene-8-ol

EINECS 202-680-6

EINECS 219-448-5

NSC 21449

PC 593

UNII-21334LVV8W

BRN 1906604

DTXSID5026625

CHEBI:22469

AI3-00275

21334LVV8W

MFCD00001557

NSC-21449

NSC-403665

DTXCID406625

MIL-350

1-alpha-terpineol

EC 202-680-6

PC-593

(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol

NCGC00164431-01

DSSTox_CID_6625

alpha-TERPINEOL (PROPYL METHYL-D3)

68797-63-7

DSSTox_RID_79596

DSSTox_GSID_40775

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-

Terpene alcohol

alpha-Terpineol, analytical standard

Menth-1-en-8-ol

2-(4-methylcyclohex-3-enyl)propan-2-ol

CAS-8000-41-7

3-Cyclohexene-1-methanol,.alpha.4-trimethyl-

3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-

Caswell No. 823

TERPIN MONOHYDRATE IMPURITY A (EP IMPURITY)

TERPIN MONOHYDRATE IMPURITY A [EP IMPURITY]

UNII-R53Q4ZWC99

-terpineol

Alfa_terpineol

MFCD00075926

alpha -Terpineol

DL a-terpineol

alphaTERPINEOL

Menthen-8-ol

203633-12-9

EINECS 232-268-1

EPA Pesticide Chemical Code 067005

1-p-Menthen-8-

.ALPHA.TERPINEOL

TERPINEOL, ALPHA

(+)-.alpha.-Terpineol

alpha-TERPINEOL (II)

3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-

EC 232-268-1

alpha-Terpineol, AldrichCPR

SCHEMBL28466

ALPHA-TERPINEOL [FCC]

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-

ALPHA-TERPINEOL [HSDB]

CHEMBL449810

R53Q4ZWC99

.ALPHA.-TERPINEOL [II]

.ALPHA.-TERPINEOL [MI]

ALFA-TERPINEOL [WHO-DD]

>80.0%(GC,sum of isomers)

.ALPHA.-TERPINEOL [FHFI]

HY-N5142

NSC21449

Tox21_112118

Tox21_200112

Tox21_302298

c0669

MFCD00166983

NSC403665

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt, (1S)-

AKOS015840815

alpha-Terpineol, 90%, technical grade

MCULE-9798755896

SB45068

CAS-98-55-5

USEPA/OPP Pesticide Code: 067003

NCGC00248528-01

NCGC00255464-01

NCGC00257666-01

SY117295

alpha-Terpineol 1000 microg/mL in Acetone

DB-059206

+/--Terpineol 1000 microg/mL in n-Hexane

CS-0032554

NS00002240

T0022

T0984

2-(4-methyl-1-cyclohex-3-enyl)-propan-2-ol

D70165

EN300-125883

(1R)-a,a,4-trimethyl-3-cyclohexene-1-methanol

(S)-2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol

SR-01000944873

J-500272

SR-01000944873-1

W-100076

3-cyclohexene-1-methanol, alpha, alpha, 4-trimethyl-

Q27109437

F0001-2319

Flavor and Extract Manufacturers' Association No. 3045

Z1255427148

alpha-Terpineol, primary pharmaceutical reference standard

3-CYCLOHEXENE-1-METHANOL, ALPHA., alpha, 4-TRIMETHYL-

3-CYCLOHEXENE-1-METHANOL, ALPHA., .ALPHA., 4-TRIMETHYL-

3-CYCLOHEXENE-1-METHYANOL, .ALPHA.,.ALPHA.,4-TRIMETHYL-, (S)-

22347-88-2

The Henry's Law constant for alpha-terpineol is reported as 2.23X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that alpha-terpineol 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 20 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 150 days(SRC). alpha-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0423 mm Hg at 24 deg C(3).
Literature: (1) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Li J, Perdue, EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

1:8 OR MORE IN 50% ALCOHOL; SOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 522
Literature: #Very soluble in benzene, acetone
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-468
Literature: #Very soluble in alcohol, ether
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. 4151
Literature: #In water, 7100 mg/L at 25 deg C
Literature: Li J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha-terpineol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 29, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Nerolidol (natural)

Peruviol

Stirrup

(Z)-Nerolidol

(+)-Nerolidol

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-

DTXSID3022247

UNII-89V5Z0JC8J

UNII-QR6IP857S6

trans nerolidol

Methylvinylhomogeranyl carbinol

FEMA No. 2772

CCRIS 7678

(E)-nerolidol

EINECS 205-540-2

EINECS 230-597-5

NSC 60598

EPA Pesticide Chemical Code 128910

NSC 406963

BRN 1724135

AI3-10519

EC 230-597-5

3-01-00-02042 (Beilstein Handbook Reference)

CHEBI:7524

DTXCID602247

QR6IP857S6

FEMA 2772

Humbertiol?

(+/-)-Nerolidol

Spectrum_001222

SpecPlus_000303

Spectrum2_001507

Spectrum3_001539

Spectrum4_001720

KBioGR_002080

KBioSS_001702

DivK1c_006399

SPBio_001553

FCI-119B

CHEMBL3182436

NEROLIDOL, (+/-)-

KBio1_001343

KBio2_001702

KBio2_004270

KBio2_006838

KBio3_002458

MCULE-1929267041

( inverted exclamation markA)-Nerolidol

NCGC00344526-01

DB-070076

NS00075673

3-Hydroxy-3,7,11-trimethyl-1,6,10-dodectriene

Nerolidol (Mixture of cis and trans, Stablized with a-tocopherol)

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-; Nerolidol (6CI); 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; (+/-)-Nerolidol; FCI 119b; Nerodilol

TETRACOSANE

n-Tetracosane

646-31-1

Lignocerane

UNII-YQ5H1M1D7I

YQ5H1M1D7I

NSC 2984

NSC-2984

EINECS 211-474-5

AI3-52698

DTXSID8060955

CHEBI:32936

HSDB 8354

MFCD00009352

Tricosane, methyl-

Tetracosane, analytical standard

CH3-(CH2)22-CH3

CH3-[CH2]22-CH3

Tetracosane; NSC 2984; n-Tetracosane

Tetracosane, 99%

CHEMBL4172502

DTXCID7044346

NSC2984

HY-N7933

LMFA11000585

STL301146

AKOS015843189

MCULE-5174537376

AS-10445

DB-054706

CS-0138834

NS00010796

S0296

T0075

D92298

Q150988

0A751D89-FC23-4E63-9FA0-2DD14DA5803E

The Henry's Law constant for tetracosane is estimated as 280 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that tetracosane 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)(3) is estimated as 1.9 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 7.3 days(SRC). However, adsorption to soil is expected to attenuate volatilization(SRC). The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(4). Tetracosane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.07X10-6 mm Hg(5).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 17, 2016: http://www2.epa.gov/tsca-screening-tools (4) US EPA; EXAMS II Computer Simulation (1987) (5) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data 6th ed., New York, NY: McGraw Hill (1984)

In water, 6.44X10-8 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 17, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Insoluble in water
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1316
Literature: #Slightly soluble in ethanol; very soluble in ethyl ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-498
Literature: #Soluble in alcohol
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 1316

The Koc of tetracosane is estimated as 6.5X10+6(SRC), using an estimated log Kow of 12.13(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that tetracosane is expected to be immobile in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 17, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

DOTRIACONTANE

n-Dotriacontane

544-85-4

Bicetyl

NSC 6361

EINECS 208-881-5

UNII-7KSV90RN23

BRN 1783260

7KSV90RN23

AI3-52367

NSC-6361

DTXSID5052202

CHEBI:36020

HSDB 8362

4-01-00-00595 (Beilstein Handbook Reference)

n-Dotriacontane 100 microg/mL in n-Hexane

CH3-(CH2)30-CH3

CH3-[CH2]30-CH3

DICETYL

Dotriacontane; Bicetyl; NSC 6361; n-Dotriacontane

Lacceran

Dotriacontane, n-

MFCD00009411

Dotriacontane, 97%

WLN: 32H

DTXCID7030773

NSC6361

Dotriacontane, analytical standard

HY-N9600

LMFA11000570

N-C-32

AKOS015903563

MCULE-7869891120

AS-10468

DB-052589

CS-0201505

D0998

NS00010777

D89756

M01641

Q151123

B8926297-132A-4B5D-B9C2-294F3F006246

The Henry's Law constant for dotriacontane is estimated as 2700 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dotriacontane 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 6.2 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 8.4 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is greater than 2 years when adsorption is considered(3). Dotriacontane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dotriacontane is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2X10-7 mm Hg(SRC), determined from a fragment constant method(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 10, 2016: http://www2.epa.gov/tsca-screening-tools

In water, 4.62X10-12 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 10, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Insoluble in water
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-238
Literature: #Slightly soluble in ethanol, chloroform; soluble in ether, carbon tetrachloride; very soluble in benzene
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-238

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dotriacontane can be estimated to be 7.9X10+8(SRC). According to a classification scheme(2), this estimated Koc value suggests that dotriacontane is expected to be immobile in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 10, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

linoleic acid

60-33-3

Linolic acid

(9Z,12Z)-octadeca-9,12-dienoic acid

Telfairic acid

cis,cis-Linoleic acid

Linoleate

9,12-Linoleic acid

Emersol 315

cis,cis-9,12-Octadecadienoic acid

Unifac 6550

9Z,12Z-Linoleic acid

cis-9,cis-12-Octadecadienoic acid

Emersol 310

(Z,Z)-9,12-Octadecadienoic acid

Extra Linoleic 90

9Z,12Z-octadecadienoic acid

9-cis,12-cis-Linoleic acid

all-cis-9,12-Octadecadienoic acid

acide linoleique

Linoleic

acido linoleico

Leinoleic acid

9,12-Octadecadienoic acid (9Z,12Z)-

9-cis,12-cis-Octadecadienoic acid

alpha-Linoleic acid

Ronacare asc 3

(9Z,12Z)-Octadecadienoic acid

acide cis-linoleique

Linoleic acid, pure

CCRIS 650

9,12-Octadecadienoic acid (Z,Z)-

9,12-Octadecadienoic acid

CHEBI:17351

HSDB 5200

UNII-9KJL21T0QJ

cis-delta9,12-Octadecadienoic acid

EINECS 200-470-9

9KJL21T0QJ

cis-Delta(9,12)-octadecadienoic acid

9,12-Octadecadienoic acid, (Z,Z)-

NSC 281243

NSC-281243

8024-22-4

DTXSID2025505

AI3-11132

cis-9, cis-12-octadecadienoic acid

C18:2 (n-6)

FEMA NO. 3380, LINOLEIC ACID-

CHEMBL267476

DTXCID505505

9-cis,12-cis-Octadecadienoate

8016-21-5

delta9,12-Octadecadienoic acid

C18:2

C18:2, n-6,9 all-cis

MFCD00064241

NSC281243

cis,cis-linoleate

NCGC00091049-04

VITAMIN F COMPONENT LINOLEIC ACID

VESPULA PENSYLVANICA B708568K063

LINOLEIC ACID (MART.)

LINOLEIC ACID [MART.]

C18:2 9c, 12c omega6 todos cis-9,12-octadienoico

CAS-60-33-3

14C-Linoleic acid

(9Z,12Z)-9,12-octadecadienoic acid

(14C)-Linoleic acid

octadeca-9,12-dienoic acid

SR-01000944790

(14C)alpha-Linolenic acid

9,12 Octadecadienoic Acid

acidelinoleique

7552P0K6PN

Linolate

Acid, 9,12-Octadecadienoic

linoleic-acid

Leinolic acid

trans-9,trans-12-Octadecadienoic acid

85594-37-2

9Z,12Z-Linoleate

80969-37-5

n-6,9 all-cis

Linoleic acid, 95%

9Z,12Z-Octadecadienoate

9-cis,12-cis-Linoleate

Linoleic acid, >=95%

Linoleic acid, >=99%

bmse000497

bmse000604

Epitope ID:117705

POLYLIN NO 515

LINOLEIC ACID [MI]

SCHEMBL7067

(9Z,12Z)-9,12-Octadecadienoic-1-13C Acid

Fatty Acid 18:2 n-6

POLYIN NO.515

cis,12-Octadecadienoic acid

LINOLEIC ACID [FCC]

Pamolyn 125 (Salt/Mix)

cis-D9,12-Octadecadienoate

BSPBio_001374

LINOLEIC ACID [HSDB]

LINOLEIC ACID [INCI]

CCRIS 652

LINOLEIC ACID [VANDF]

UNII-7552P0K6PN

all-cis-9,12-Octadecadienoate

BML3-C03

cis-9,cis-12-Octadecadienoate

GTPL1052

Linoleic acid, >=95%, FG

Linoleic acid, puriss., 90%

LINOLEIC ACID [WHO-DD]

(Z,Z)-9,12-Octadecadienoate

ACon1_000270

BDBM22231

cis-D9,12-Octadecadienoic acid

Linoleic acid, >=93% (GC)

CHEBI:137735

9,12-Octadecadienoic acid, (Z,Z)-, labeled with carbon-14

HMS1361E16

HMS1791E16

HMS1989E16

HMS3402E16

HMS3649F07

HMS3886F05

Linoleic acid, analytical standard

9,12-Octadecadienoic acid (VAN)

cis,cis,9,12-Octadecadienoic acid

HY-N0729

9,12-Octadecadienoic acid, (Z)-

Tox21_111067

Tox21_202171

Tox21_303080

(9Z,12Z)-9,12-Octadecadienoate

C18:2 9c

cis,cis-octadeca-9,12-dienoic acid

cis-9,cis-12-Octadecadienoic acid,

LMFA01030120

s5821

(Z,Z)-Octadeca-9, 12-dienoic acid

9,12-Octadecadienoic acid, (E,E)-

9,12-Octadecadienoic acid, cis,cis-

AKOS015951293

Cis, cis-octadeca-9,12-dienoic acid

DB14104

(Z)-9,12-OCTADECADIENOIC ACID

9-(Z), 12-(Z)-Octadecadienoic acid

cis-.DELTA.9,12-Octadecadienoic acid

IDI1_033844

NCGC00091049-01

NCGC00091049-02

NCGC00091049-03

NCGC00091049-05

NCGC00091049-06

NCGC00091049-07

NCGC00257024-01

NCGC00259720-01

12c omega6 todos cis-9,12-octadienoico

AC-33770

AS-12672

BP-31121

FA(18:2(9Z,12Z))

Linoleic acid, technical, 60-74% (GC)

Octadeca-9,12-dienoic acid, (cis,cis)-

AI3-36448

9,Z)-

CS-0009742

L0053

L0124

NS00010521

C01595

EN300-383983

LINOLEIC ACID (CONSTITUENT OF SPIRULINA)

9, (Z)-

A832696

Q407426

LINOLEIC ACID (CONSTITUENT OF FLAX SEED OIL)

LINOLEIC ACID (CONSTITUENT OF SAW PALMETTO)

SR-01000944790-1

SR-01000944790-3

BRD-K08973992-001-03-9

LINOLEIC ACID (CONSTITUENT OF BORAGE SEED OIL)

LINOLEIC ACID (CONSTITUENT OF SPIRULINA) [DSC]

5CE5E1F3-8859-4C5B-9AFE-E44A7076DF6E

LINOLEIC ACID (C18:2) (CONSTITUENT OF KRILL OIL)

LINOLEIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]

Linoleic acid, liquid, BioReagent, suitable for cell culture

Linoleic acid, 2.0 mg/mL in ethanol, certified reference material

cis,cis-9,12-octadecadienoic acid; LINOLEATE; emersol315; Linoleic; unifac6550;

30175-49-6

LIN

The Henry's Law constant for linoleic acid is estimated as 2.0X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 8.68X10-7 mm Hg(1), and water solubility, 1.59 mg/L(2). This Henry's Law constant indicates that linoleic acid is expected to be essentially nonvolatile from water surfaces(3). Linoleic acid's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Linoleic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure.
Literature: (1) 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, Vol 5 (1998) (2) Mabrouk AF, Dugan LR Jr; J American Oil Chemists Society 38(1): 9-13 (1961) (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 linoleic acid can be estimated to be 1.2X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that undissociated linoleic acid is expected to be immobile mobility in soil. The pKa of linoleic acid is 4.77(3), indicating that this compound will exist primarily 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(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Jan 20, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution IUPAC Chemical Data Series No.23 NY, NY: Pergamon Press. p. 726 (1979) (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)

PENTADECANOIC ACID

1002-84-2

Pentadecylic acid

n-Pentadecanoic acid

Pentadecyclic acid

n-Pentadecylic acid

NSC 28486

C15:0

MFCD00002745

Pentadecanoic acid, 99%

2,2-DIDEUTEROPENTADECANOIC ACID

CCW02D961F

CHEMBL460025

DTXSID2021652

CHEBI:42504

64118-45-2

NSC-28486

F15

EINECS 213-693-1

BRN 1773831

UNII-CCW02D961F

Pentadecyclate

n-Pentadecylate

AI3-36441

n-Pentadecanoate

pentadecanoic'acid

n-Pentadecanoicacid

pentadecansäure

tetradecylcarboxylic acid

tetradecyl carboxylic acid

bmse000558

SCHEMBL6311

Pentadecanoic acid, >=99%

4-02-00-01147 (Beilstein Handbook Reference)

WLN: QV14

DTXCID601652

FA 15:0a

FEMA NO. 4334

AMY5935

PENTADECANOIC ACID [FHFI]

NSC28486

Tox21_201197

BDBM50242348

LMFA01010015

s6234

STL453783

AKOS015903762

CS-W004283

FA 15:0

HY-W004283

MCULE-3630464562

Pentadecanoic acid, analytical standard

NCGC00248954-01

NCGC00258749-01

AS-57005

BP-27916

SY009985

CAS-1002-84-2

Pentadecanoic acid, ~99% (capillary GC)

DB-343938

NS00015703

P0035

EN300-176407

H10804

Pentadecanoic acid; n-Caprylic Acid Sodium Salt

9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C

A897509

Q418951

J-000083

Tetradecanoic acid

MYRISTIC ACID

544-63-8

n-Tetradecanoic acid

Crodacid

n-Tetradecan-1-oic acid

n-Tetradecoic acid

1-Tridecanecarboxylic acid

Myristate

Hydrofol acid 1495

Myristinsaeure

Univol U 316S

Emery 655

tetradecoic acid

Hystrene 9014

Myristic acid, pure

FEMA No. 2764

Myristic acid (natural)

acide tetradecanoique

n-Myristic acid

NSC 5028

CCRIS 4724

HSDB 5686

Philacid 1400

C14:0

Prifac 2942

CH3-[CH2]12-COOH

CHEBI:28875

AI3-15381

NSC-5028

1-tetradecanecarboxylic acid

EINECS 208-875-2

PHILACID-1400

UNII-0I3V7S25AW

PRIFRAC-2942

BRN 0508624

0I3V7S25AW

DTXSID6021666

Edenor C 14

Acid, Myristic

MyristicAcid-13C14

CHEMBL111077

DTXCID501666

MYRISTIC-14-13C ACID

NSC5028

4-02-00-01126 (Beilstein Handbook Reference)

MFCD00002744

FA 14:0

n-tetradecan-1-oate

MYRISTIC ACID (II)

MYRISTIC ACID [II]

32112-52-0

MYRISTIC ACID (MART.)

MYRISTIC ACID [MART.]

MYRISTIC ACID (USP-RS)

MYRISTIC ACID [USP-RS]

CH3-(CH2)12-COOH

CAS-544-63-8

Acid, Tetradecanoic

Myristic acid [NF]

62217-70-3

myristoate

myristoic acid

n-Tetradecanoate

Tetradecanoicacid

3usx

Myristic acid pure

fatty acid 14:0

Hystrene 9514

TETRADECANSAEURE

1-Tridecanecarboxylate

ACIDO MYNISTICO

MAGNESIUMARSENATE

Myristic acid, 95%

Myristic acid, natural

tridecanecarboxylic acid

Myristic acid (8CI)

Myristic Acid, Reagent

3v2n

3w9k

Myristic acid, puriss.

Univol U 3165

Myristic acid, ?99%

Tetradecanoic acid (9CI)

bmse000737

Epitope ID:176772

MYRISTIC ACID [MI]

SCHEMBL6374

MYRISTIC ACID [FCC]

MYRISTIC ACID [FHFI]

MYRISTIC ACID [HSDB]

MYRISTIC ACID [INCI]

MLS002152942

WLN: QV13

Tetradecanoic (Myristic) acid

GTPL2806

NAA 104

NAA 142

IS_D27-TETRADECANOIC ACID

HMS3039E15

HMS3648O20

Myristic acid, analytical standard

HY-N2041

EINECS 250-924-5

Myristic acid, >=98.0% (GC)

Tox21_201852

Tox21_302781

BDBM50147581

LMFA01010014

s5617

STL185697

Myristic acid, >=95%, FCC, FG

Myristic acid, Sigma Grade, >=99%

AKOS009156714

CCG-266785

DB08231

DS-3833

MCULE-9671122893

NSC 122834

NCGC00091068-01

NCGC00091068-02

NCGC00091068-03

NCGC00256547-01

NCGC00259401-01

AC-34674

BP-27915

SMR001224536

CS-0018531

M0476

NS00010444

EN300-78099

C06424

G74510

Myristic acid, Vetec(TM) reagent grade, 98%

Q422658

SR-01000854525

MYRISTIC ACID (CONSTITUENT OF SAW PALMETTO)

SR-01000854525-3

W-109088

F8889-5016

Z1954802504

EDAE4876-C383-4AD4-A419-10C0550931DB

MYRISTIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]

Myristic acid, United States Pharmacopeia (USP) Reference Standard

Tetradecanoic acid; 1-Tridecanecarboxylic acid; n-Tetradecanoic acid

Myristic acid, Pharmaceutical Secondary Standard; Certified Reference Material

A pKa of 4.90(1) indicates myristic 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). Myristic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.4X10-6 mm Hg(3).
Literature: (1) Barratt MD; Toxicol In Vitro 10:85-94 (1996) (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 myristic acid is estimated as 50,000 fro the free acid(SRC), using a log Kow of 6.11(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated myristic acid is expected to be immobile in soil. The pKa of myristic acid is 4.90(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) Barratt MD; Toxicol In Vitro 10:85-94 (1996) (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)

HEXANOIC ACID

Caproic acid

142-62-1

n-Caproic acid

n-Hexanoic acid

Capronic acid

Butylacetic acid

Pentylformic acid

1-Hexanoic acid

Hexoic acid

n-Hexylic acid

n-Hexoic acid

Pentiformic acid

1-Pentanecarboxylic acid

Pentanecarboxylic acid

Hexacid 698

Hexylic acid

Kyselina kapronova

Hexanoic acid (natural)

FEMA No. 2559

Acid C6

NSC 8266

CCRIS 1347

HSDB 6813

EINECS 205-550-7

UNII-1F8SN134MX

BRN 0773837

1F8SN134MX

C6:0

DTXSID7021607

CHEBI:30776

AI3-07701

NSC8266

NSC-8266

MFCD00004421

NCIOpen2_005355

CHEMBL14184

CH3-[CH2]4-COOH

DTXCID101607

68603-84-9

1-PENTANE CARBOXYLIC ACID

EC 205-550-7

butylacetate

capronate

hexylate

pentylformate

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

hexanoic acid (caproic acid)

n-caproate

n-hexoate

n-hexylate

NSC-35598

HEXANOIC ACID (CAPROIC ACID)

1-hexanoate

1-pentanecarboxylate

70248-25-8

CH3-(CH2)4-COOH

Kyselina kapronova [Czech]

CAS-142-62-1

58454-02-7

UN2829

Hexanoic

hexansäure

2-Butylacetic acid

6NA

EINECS 274-509-3

fatty acid 6:0

Caproic Acid,(S)

ethyl 4-butanoic acid

Hexanoic acid, 99%

methyl 5-pentanoic acid

Pentane-1-carboxylic acid

Hexanoic acid, >=99%

n-C5H11COOH

Hexanoic acid Caproic acid

bmse000351

SCHEMBL3867

WLN: QV5

CH3(CH2)4COOH

CAPROIC ACID [HSDB]

CAPROIC ACID [INCI]

HEXANOIC ACID [FCC]

HEXANOIC ACID [FHFI]

N-CAPROIC ACID [MI]

Propyl, 3-carboxy-1-ethyl-

BDBM16433

DTXSID301311019

Hexanoic acid, analytical standard

STR10048

EINECS 267-013-3

EINECS 271-676-4

Tox21_201517

Tox21_300406

FA 6:0

LMFA01010006

Hexanoic acid, >=98%, FCC, FG

AKOS000119844

FA(6:0)

MCULE-1671810139

Caproic acid [UN2829] [Corrosive]

Hexanoic acid, natural, >=98%, FCC

NCGC00248020-01

NCGC00248020-02

NCGC00254504-01

NCGC00259067-01

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

Hexanoic acid 10 microg/mL in Acetonitrile

H0105

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

NS00003820

EN300-21589

C01585

EC 271-676-4

CAPROIC ACID (CONSTITUENT OF SAW PALMETTO)

Q422597

J-007673

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

CAPROIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]

Z104503532

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

56279-38-0

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)