2,4-Di-tert-butylphenol

96-76-4

2,4-DI-T-BUTYLPHENOL

Antioxidant No. 33

1-Hydroxy-2,4-di-tert-butylbenzene

Prodox 146

Phenol, 2,4-bis(1,1-dimethylethyl)-

Phenol, 2,4-di-tert-butyl-

2,4-bis(tert-butyl)phenol

2,4-ditert-butylphenol

Prodox 146A-85X

2,4-Bis(1,1-dimethylethyl)phenol

2,4-tert-butylphenol

MFCD00008828

NSC 174502

2,4-Di-tert-butylphenol-d18

FOB94G6HZT

2,4-di-tert-butyl phenol

2,4-Di-tert-butyl-phenol

2,4-di~{tert}-butylphenol

CHEMBL29873

DTXSID2026602

2,4-Di-tert-butylhydroxybenzene

2,4-Bis(1,1'-dimethylethyl)phenol

2,4-bis(1,1-dimethylethyl)-phenol

NSC-174502

DTXCID606602

1246816-88-5

CAS-96-76-4

2,4-ditert-butyl-phenol

EINECS 202-532-0

UNII-FOB94G6HZT

Phenol, 2,4-di(1,1-dimethylethyl)-

BRN 1910383

2,4-DTBP

2,4-ditertbutylphenol

2,4-di-tertbutylphenol

2,4di-tert-butylphenol

,4-Di-tert-butylphenol

2,4-di-t-butyl-phenol

2,4-di-tert.butylphenol

2,4-di-tertbutyl phenol

2,4-ditert-butyl phenol

2,4-ditertiarybutylphenol

Phenol,4-di-tert-butyl-

AGIDOL 10

EC 202-532-0

?2,4-Di-tert-butylphenol

2,4-Di-tert.-butylphenol

2,4-ditertiary-butyl phenol

SCHEMBL109921

CHEBI:89188

HSDB 8453

2,4-Di-tert-butylphenol, 99%

BCP24012

Phenol,4-bis(1,1-dimethylethyl)-

Tox21_202320

Tox21_300114

BDBM50409544

NSC174502

Phenol,2,4-Bis(1,1-dimethylethyl)

1-Hydroxy-2, 4-di-tert-butylbenzene

AKOS003669719

CS-W015305

HY-W014589

MCULE-6010467095

NCGC00164059-01

NCGC00164059-02

NCGC00164059-03

NCGC00254167-01

NCGC00259869-01

AS-13983

PD158314

2,4-Ditert-butylphenol (ACD/Name 4.0)

WLN: 1X1&1&R BQ CX1&1&1

D0229

NS00010683

EN300-20927

E76999

A845633

Q-200191

Q26840829

2,4-Di-tert-butylphenol 100 microg/mL in Acetonitrile

F0001-2302

(2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-4-amino-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-butyl]carbamoyl]-3

InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H

UGW

The Henry's Law constant for 2,4-di-tert-butylphenol is estimated as 3.7X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 4.77X10-3(1) and water solubilty, 35 mg/L(2). This Henry's Law constant indicates that 2,4-di-tert-butylphenol 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)(3) is estimated as 1.6 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)(3) is estimated as 16 days(SRC). 2,4-Di-tert-butylphenol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 120 months if adsorption is considered(4). 2,4-Di-tert-butylphenol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure(1).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,4-di-tert-butylphenol can be estimated to be 9000(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,4-di-tert-butylphenol is expected to be immobile in soil(SRC).

3-Ethyltoluene

620-14-4

1-Ethyl-3-methylbenzene

M-ETHYLTOLUENE

1-Methyl-3-ethylbenzene

Benzene, 1-ethyl-3-methyl-

m-Ethylmethylbenzene

m-Methylethylbenzene

Toluene, m-ethyl-

3-Methylethylbenzene

3-Ethyl-d5-toluene

NSC 74176

1-Ethyl-3-methyl-benzene

CHEMBL31274

737PTD7O7E

DTXSID6050386

CHEBI:77512

NSC-74176

3-Ethyltoluene 100 microg/mL in Methanol

3-ethyl-1-methylbenzene

EINECS 210-626-8

UNII-737PTD7O7E

m-Ethyl_toluene

meta-Ethyltoluene

3-ethylmethylbenzene

1,3-methylethylbenzene

3-Ethyltoluene, 97%

3-Ethyltoluene, 99%

ETHYLTOLUENE, M-

Benzene, 3-ethyl-1-methyl-

BIDD:ER0585

DTXCID807876

1-ETHYL 3-METHYL BENZENE

NSC74176

Tox21_202857

BBL103656

BDBM50167946

MFCD00009259

STL557466

AKOS009158576

CS-W013572

MCULE-5855615432

NCGC00260403-01

CAS-620-14-4

DB-054039

E0185

NS00002303

EN300-32024

F11740

A868581

Q27105073

Z337707758

InChI=1/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H

1,2,3-TRIMETHYLBENZENE

526-73-8

Hemimellitene

Trimethylbenzene

Hemellitol

Hemimellitol

Benzene, 1,2,3-trimethyl-

25551-13-7

ZK4R7UPH6R

1,2,3-trimethyl-benzene

DTXSID8047769

CHEBI:34037

NSC-5167

1,3-Trimethylbenzene

Hemimellitene, 90.5%

Benzene,2,3-trimethyl-

Trimethyl benzene

1,2,3-Trimethylbenzene 100 microg/mL in Methanol

WLN: 1R B1 C1

1,3-Trimethylbenzene, 90.5%

TRIMETHYLBENZENES

HSDB 6830

NSC 5167

1,2,3-Trimethylbenzene, 90.5%

EINECS 208-394-8

EINECS 247-099-9

UNII-ZK4R7UPH6R

BRN 1903410

Trimethylbenzene, 1,2,3-

CCRIS 8145

UNII-A3F3279Q14

HSDB 7551

Benzene, 1,2,3-trimethyl-; 1,2,3-Trimethylbenzene; Hemimellitene; Hemimellitol; NSC 5167; NSC 65599

1,2,3-TrimethyIbenzene

HEMIMELLITENE [HSDB]

4-05-00-01007 (Beilstein Handbook Reference)

BIDD:ER0517

CHEMBL1797279

DTXCID7027750

DTXSID6049808

CHEBI:38641

NSC5167

1,2,3-TRIMETHYL BENZENE

AMY25707

NSC65599

1,2,3-Trimethylbenzene (>90%)

Tox21_303868

MFCD00008520

NSC-65599

AKOS009031505

MCULE-1130443786

1,2,3-Trimethylbenzene (>90per cent)

NCGC00357131-01

CAS-526-73-8

DB-246429

1,2,3-Trimethylbenzene, analytical standard

NS00010824

T0468

EN300-19373

1,2,3-Trimethylbenzene, technical grade, 90%

A829196

Q4352416

W-105806

F0001-1357

Z104473658

InChI=1/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H

The Henry's Law constant for 1,2,3-trimethylbenzene is 4.36X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 1,2,3-trimethylbenzene 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 3.4 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 4.4 days(SRC). 1,2,3-Trimethylbenzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1,2,3-Trimethylbenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.69 mm Hg(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55:1054-62 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Yaws CL; IN: Handbook of Vapor Pressure V3 C8-C28 Compounds p. 124 (1994)

1,2,3-Trimethylbenzene has measured log Koc values of 3.04(1) and 2.80(2-5). These values correspond to Koc values of 1,096 and 630. 1,2,3-Trimethylbenzene also has a reported log Kom value of 2.80(6-7). According to a classification scheme(8), these Koc values suggest that 1,2,3-trimethylbenzene is expected to have low mobility in soil(SRC).
Literature: (1) Borisover MD, Graber ER; Chemosphere 34: 1761-76 (1997) (2) Gao C et al; Environ Toxicol Chem 15: 1089-96 (1996) (3) Park JH, Lee HJ; Chemosphere 26: 1905-16 (1993) (4) Sabljic A et al; Chemosphere 31: 4489-514 (1995) (5) Xu F et al; J Environ Qual 30: 1618-23 (2001) (6) Okouchi S, Saegusa H; Bull Chem Soc Jpn 62: 922-4 (1989) (7) Sabljic A; Environ Sci Technol 21: 358-66 (1987) (8) Swann RL et al; Res Rev 85: 17-28 (1983)

MESITYLENE

1,3,5-Trimethylbenzene

108-67-8

sym-Trimethylbenzene

3,5-Dimethyltoluene

Fleet-X

Trimethylbenzol

Benzene, 1,3,5-trimethyl-

s-Trimethylbenzene

2,4,6-trimethylbenzene

NSC 9273

Trimethylbenzene, 1,3,5-

HSDB 92

1,3,5-trimethyl-benzene

EINECS 203-604-4

UNII-887L18KQ6X

CCRIS 8147

DTXSID6026797

CHEBI:34833

AI3-23973

887L18KQ6X

NSC-9273

DTXCID506797

EC 203-604-4

CAS-108-67-8

UN2325

Symmetrical trimethylbenzene

Mesitylene, 98%

MESITELENE

MESITYLENE [MI]

MESITYLENE [HSDB]

MESITYLENE [INCI]

1,3, 5-Trimethylbenzene

(3,5-dimethylphenyl)methyl

BIDD:ER0286

Mesitylene (ACD/Name 4.0)

Mesitylene, analytical standard

CHEMBL1797281

WLN: 1R C1 E1

Mesitylene, reagent grade, 97%

NSC9273

BENZENE,1,3,5-TRIMETHYL

DTXSID601311725

STR03436

Tox21_201452

Tox21_300341

MFCD00008538

STL268905

1,3,5-Trimethylbenzene (Mesitylene)

AKOS000120144

MCULE-4050779572

Mesitylene, purum, >=98.0% (GC)

UN 2325

NCGC00247999-01

NCGC00247999-02

NCGC00254430-01

NCGC00259003-01

NS00004224

S0658

T0470

EN300-19371

A801911

Q425161

J-002179

J-521685

1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]

F0001-0175

Mesitylene, certified reference material, TraceCERT(R)

Z104473654

InChI=1/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H

19121-63-2

The Henry's Law constant for 1,3,5-trimethylbenzene was measured as 8.77X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 1,3,5-trimethylbenzene 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 1.2 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 4.4 days(SRC). 1,3,5-Trimethylbenzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1,3,5-Trimethylbenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.48 mm Hg(3). Residence times (with respect to volatilization) for 1,3,5-trimethylbenzene were calculated as 220 hours for both winter and summer conditions in Narragansett Bay(4). Complete removal of 1,3,5-trimethylbenzene (at 0.035 ug/ml soil extract) from sandy loam soil samples contaminated with jet fuel was reported within 5 days; sterile samples with 1,3,5-trimethylbenzene at 0.035 ug/ml soil extract also showed complete removal of this compound within 5 days, probably by evaporation(5).
Literature: (1) Sanemasa,I et al; Bull Chem Soc Jpn 55: 1054-62 (1982) (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) (4) Wakeham SG et al; Canad J Fish Aquat Sci 40: 304-21 (1983) (5) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)

The Koc of 1,3,5-trimethylbenzene has been measured at a range of 501-1,445(1-4). According to a classification scheme(5), this Koc range suggests that 1,3,5-trimethylbenzene is expected to have low mobility in soil. 1,3,5-Trimethylbenzene was detected in soil leachate samples following the addition of crude oil to the surface of a soil trough filled with sand(6).
Literature: (1) Schwarzenbach RP, Westall J; Environ Sci Technol 15: 1360-67 (1981) (2) Borisover MD et al; Chemosphere 34: 1761-1776 (1997) (3) Wiedemeier TH et al; Ground Water Monit Remed 16: 186-194 (1996) (4) XU F et al; J Environ Qual 30: 1618-1623 (2001) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Duffy JJ et al; Environ Internat 3: 107-120 (1980)

1-Ethyl-2-methylbenzene

2-Ethyltoluene

611-14-3

O-ETHYLTOLUENE

o-Methylethylbenzene

1-Methyl-2-ethylbenzene

Toluene, o-ethyl-

ortho-Ethyltoluene

Benzene, 1-ethyl-2-methyl-

1,2-methylethylbenzene

o-Ethyl methyl benzene

o-Ethylmethylbenzene

Ethyltoluene

25550-14-5

2-Methylethylbenzene

NSC 405731

2-Methyl-1-ethylbenzene

CHEMBL364233

DBX00873SV

DTXSID2050403

CHEBI:34276

NSC-405731

o-Ethyl methylbenzene

Ethyltoluene, o-

2-ethyl-1-methylbenzene

EINECS 210-255-1

1-ethyl-2-methyl-benzene

BRN 1851237

UNII-DBX00873SV

AI3-28773

2-ethyl toluene

2-ethylmethylbenzene

Toluene, 2-ethyl-

2-Ethyltoluene, 99%

2-Ethyltoluene 100 microg/mL in Methanol

4-05-00-00999 (Beilstein Handbook Reference)

BIDD:ER0573

WLN: 2R B1

DTXCID5029477

Tox21_303797

BDBM50167949

MFCD00009257

NSC405731

AKOS015842902

AC-6953

CS-W009542

DS-2369

MCULE-7161910991

NCGC00356979-01

CAS-611-14-3

DB-024735

A8492

AM20040851

E0184

NS00002055

J-504600

Q27115961

2-Ethyltoluene, certified reference material, TraceCERT(R)

InChI=1/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H

9,12-Octadecadienoic acid

2197-37-7

octadeca-9,12-dienoic acid

grape seed oils

alpha-Linoleic acid

85594-37-2

cis-9-cis-12-Octadecadienoic acid

9,12-octadecadienic acid

CBiol_001994

KBioGR_000094

KBioSS_000094

DTXSID2075059

KBio2_000094

KBio2_002662

KBio2_005230

KBio3_000187

KBio3_000188

Bio1_000280

Bio1_000769

Bio1_001258

Bio2_000094

Bio2_000574

8024-22-4

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

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

AKOS030228545

MCULE-4653646367

SY011113

DB-053596

Q27163939

EICOSANE

n-Eicosane

Icosane

112-95-8

n-icosane

CCRIS 663

octyldodecane

UNII-3AYA9KEC48

EINECS 204-018-1

3AYA9KEC48

NSC 62789

AI3-28404

PARAFOL 20Z

MFCD00009344

NSC-62789

DTXSID1025227

CHEBI:43619

HSDB 8350

EC 204-018-1

Eicosane, analytical standard

Nonadecane, methyl-

Icosane #

DIDECYL

Eicosane, 99%

EICOSANE [INCI]

NCIOpen2_003284

DTXCID305227

QSPL 044

QSPL 050

QSPL 140

CH3-(CH2)18-CH3

NSC62789

LMFA11000571

AKOS015843175

MCULE-4659194332

AS-56022

SY009966

DB-041142

CS-0146759

E0003

NS00010719

Q150925

J-002883

C4A12DC5-1A2F-4399-88BF-8A6222A7DF7E

Eicosane; MPCM 37; NSC 62789; Parafol 20Z; n-Eicosane

InChI=1/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H

The Henry's Law constant for eicosane is estimated as 90 atm-cu m/mole(SRC), using a fragment constant estimation method(1). This Henry's Law constant indicates that eicosane may 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)(3) is estimated as 1.7 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 6.7 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). Eicosane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 4.62X10-6 mm Hg at 25 deg C(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) Zwolinski BJ, Wilhoit RC; Handbook of Vapor Pressures and Heats of Vaporization of Hydrocarbons and related compounds. API44-TRC101. College Station,TX: Thermodynamcs Research Center (1971)

The Koc of eicosane is estimated as 5.9X10+5(SRC), using an estimated log Kow of 10.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that eicosane 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 15, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

palmitic acid

Hexadecanoic acid

57-10-3

Cetylic acid

palmitate

n-Hexadecanoic acid

Hexadecylic acid

1-Pentadecanecarboxylic acid

Hydrofol

n-Hexadecoic acid

Palmitinic acid

hexaectylic acid

Pentadecanecarboxylic acid

hexadecoic acid

1-Hexyldecanoic Acid

Industrene 4516

Emersol 140

Emersol 143

Hystrene 8016

Hystrene 9016

Palmitinsaeure

Palmitic acid, pure

Palmitic acid 95%

Kortacid 1698

FEMA No. 2832

Loxiol EP 278

Palmitic acid (natural)

Hydrofol Acid 1690

Cetyl acid

Prifac 2960

C16:0

HSDB 5001

Pristerene 4934

Pristerene-4934

Edenor C16

NSC 5030

AI3-01594

Lunac P 95KC

Lunac P 95

Lunac P 98

CCRIS 5443

Prifac-2960

CHEBI:15756

NSC5030

NSC-5030

EINECS 200-312-9

UNII-2V16EO95H1

FA 16:0

BRN 0607489

Palmitic acid (NF)

DTXSID2021602

Glycon P-45

IMEX C 1498

2V16EO95H1

Hexadecanoic acid (9CI)

MFCD00002747

67701-02-4

Palmitic acid (7CI,8CI)

CHEMBL82293

DTXCID101602

CH3-[CH2]14-COOH

EC 200-312-9

4-02-00-01157 (Beilstein Handbook Reference)

n-hexadecoate

LMFA01010001

PA 900

EDENOR C 16-98-100

FA 1695

SURFAXIN COMPONENT PALMITIC ACID

1-hexyldecanoate

NCGC00164358-01

LUCINACTANT COMPONENT PALMITIC ACID

1219802-61-5

pentadecanecarboxylate

Hexadecanoic acid 10 microg/mL in Acetonitrile

HEXADECANOIC-11,11,12,12-D4 ACID

PALMITIC ACID (II)

PALMITIC ACID [II]

PALMITIC ACID (MART.)

PALMITIC ACID [MART.]

CH3-(CH2)14-COOH

Palmitic acid; Hexadecanoic acid

PLM

palmic acid

Hexadecanoate (n-C16:0)

PALMITIC ACID (EP MONOGRAPH)

PALMITIC ACID [EP MONOGRAPH]

Acid, Palmitic

CAS-57-10-3

Acid, Hexadecanoic

SR-01000944716

Palmitic acid [USAN:NF]

palmitoate

Hexadecoate

Palmitinate

Palmitinsaure

palmitic-acid

palmitoic acid

Hexadecanoicacid

Aethalic acid

Hexadecanoic acid Palmitic acid

2hmb

2hnx

Palmitic acid_jeyam

n-Hexadecyclic Acid

fatty acid 16:0

Palmitic Acid, FCC

Kortacid 1695

Palmitic acid_RaGuSa

Univol U332

Prifrac 2960

Hexadecanoic acid anion

Hexadecanoic--d5 Acid

3v2q

Palmitic acid, >=99%

bmse000590

Epitope ID:141181

CETYL ACID [VANDF]

PALMITIC ACID [MI]

SCHEMBL6177

PALMITIC ACID [DSC]

PALMITIC ACID [FCC]

PALMITIC ACID [FHFI]

PALMITIC ACID [HSDB]

PALMITIC ACID [INCI]

PALMITIC ACID [USAN]

FAT

WLN: QV15

1-MONOPALMITIN_met001

P5585_SIGMA

PALMITIC ACID [VANDF]

GTPL1055

QSPL 166

PALMITIC ACID [USP-RS]

PALMITIC ACID [WHO-DD]

(1(1)(3)C)hexadecanoic acid

1b56

HMS3649N08

Palmitic acid, analytical standard

Palmitic acid, BioXtra, >=99%

Palmitic acid, Grade II, ~95%

HY-N0830

Palmitic acid, natural, 98%, FG

Tox21_112105

Tox21_201671

Tox21_302966

AC9381

BBL011563

BDBM50152850

s3794

STL146733

Palmitic acid, >=95%, FCC, FG

AKOS005720983

Tox21_112105_1

CCG-267027

CR-0047

DB03796

MCULE-1361949901

Palmitic acid, for synthesis, 98.0%

NCGC00164358-02

NCGC00164358-03

NCGC00256424-01

NCGC00259220-01

BP-27917

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

SY006518

CS-0009861

NS00008548

P0002

P1145

Palmitic acid, SAJ first grade, >=95.0%

EN300-19603

C00249

D05341

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

PALMITIC ACID (CONSTITUENT OF SPIRULINA)

Palmitic acid, >=98% palmitic acid basis (GC)

A831313

Q209727

PALMITIC ACID (CONSTITUENT OF FLAX SEED OIL)

PALMITIC ACID (CONSTITUENT OF SAW PALMETTO)

SR-01000944716-1

SR-01000944716-2

BA71C79B-C9B1-451A-A5BE-B480B5CC7D0C

PALMITIC ACID (CONSTITUENT OF BORAGE SEED OIL)

PALMITIC ACID (CONSTITUENT OF SPIRULINA) [DSC]

F0001-1488

Z104474418

PALMITIC ACID (CONSTITUENT OF EVENING PRIMROSE OIL)

PALMITIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]

Palmitic acid, certified reference material, TraceCERT(R)

Palmitic acid, European Pharmacopoeia (EP) Reference Standard

Palmitic acid, United States Pharmacopeia (USP) Reference Standard

Palmitic acid, Pharmaceutical Secondary Standard; Certified Reference Material

Sodium Palmitate, Palmitic acid sodium salt, Sodium hexadecanoate, Sodium pentadecanecarboxylate, HSDB 759

An estimated pKa of 4.7(1) for palmitic acid indicates palmitic 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(2). Palmitic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.8X10-7 mm Hg(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 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 & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)

The Koc of undissociated palmitic acid is estimated as 189,000(SRC), using a log Kow of 7.17(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated palmitic acid is expected to be immobile in soil. The estimated pKa of palmitic acid is 4.7(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).
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 7, 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)

9-octadecenoic acid

Octadec-9-enoic acid

2027-47-6

odorless

Mangrove

n-Octadec-9-ensaure

NCIMech_000314

NCIOpen2_008144

Oleic Acid_GurudeebanSatyavani

DTXSID7048118

AKOS030228306

MCULE-9547538729

NCI60_042203

SY101012

DB-041119

DB-253685

NS00081299

Q27116668

A pKa of 5.02(1) indicates oleic 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(2). Oleic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.46X10-7 mm Hg(3).
Literature: (1) Riddick JA et al; Organic Solvents 4th ed; NY: Wiley p. 379 (1986) (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 & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)

The Koc of undissociated oleic acid is estimated as 340,000(SRC), using a log Kow of 7.64(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that oleic acid is expected to be immobile in soil. The pKa of oleic acid is 5.02(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) Riddick JA et al; Organic Solvents 4th ed; NY: Wiley p. 379 (1986) (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)

DECANE

124-18-5

n-Decane

Nonane, methyl-

NK85062OIY

73138-29-1

DTXSID6024913

CHEBI:41808

NSC-8781

MFCD00008954

Decyl hydride

Decane, analytical standard

DTXCID704913

CAS-124-18-5

D10

HSDB 63

CCRIS 653

NSC 8781

EINECS 204-686-4

UN2247

BRN 1696981

decan

Decane; Cactus Normal Paraffin N 10; NSC 8781; n-Decane

UNII-NK85062OIY

normal-decane

AI3-24107

Decane, n-

Decane, 99%

DECANE [HSDB]

DECANE [INCI]

Decane, >=95%

SYNTSOL LP 10

EC 204-686-4

4-01-00-00464 (Beilstein Handbook Reference)

Decane, anhydrous, >=99%

CHEMBL134537

QSPL 111

WLN: 10H

n-C10H22

NSC8781

Decane, ReagentPlus(R), >=99%

CACTUS NORMAL PARAFFIN N 10

Tox21_201881

Tox21_300336

LMFA11000568

STL280316

Decane, purum, >=95.0% (GC)

Decane, purum, >=98.0% (GC)

AKOS005145676

MCULE-6071426098

n-Decane 1000 microg/mL in Methanol

UN 2247

s11595

Decane, SAJ special grade, >=99.0%

NCGC00247996-01

NCGC00247996-02

NCGC00254283-01

NCGC00259430-01

63335-87-5

LS-13903

n-Decane [UN2247] [Flammable liquid]

DB-089700

DB-307803

D0011

NS00010712

S0282

S0554

EN300-19466

Q150717

J-005051

J-520211

F1908-0171

DBF497D1-4529-4457-841E-9D33CDF22B1C

InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H

116372-01-1

The Henry's Law constant for n-decane is estimated as 5.15 atm-cu m/mole(SRC) derived from its vapor pressure, 1.43 mm Hg(1), and water solubility, 0.052 mg/L(2). This Henry's Law constant indicates that n-decane 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 3.5 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 4.7 days(SRC). n-Decane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Decane is expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC). Biodegradation studies in soil have observed volatilization to be a more important removal process than biodegradation for n-decane(4,5).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub. Corp. (1989) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 745 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Stronguilo ML et al; Chemosphere 29: 272-81 (1994) (5) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-9 (1993)
Literature: #First-order evaporation constants of n-decane in 3-mm layer No 2 fuel oil, darkened room, wind speed 21 km/hr: at 5 deg C, 1.19X10-3/min; at 10 deg C, 1.87X10-3/min; at 20 deg C, 3.44X10-3/min; at 30 deg C, 6.98X10-3/min
Literature: Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 655

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-decane can be estimated to be 1500(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-decane is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 9, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

HEPTADECANE

n-Heptadecane

629-78-7

Heptadekan

n-Heptadecane (d36)

H7C0J39XUM

DTXSID7047061

CHEBI:16148

MFCD00009002

NSC-172782

Hexadecane, methyl-

Heptadecane, analytical standard

EINECS 211-108-4

UNII-H7C0J39XUM

NSC 172782

BRN 1738898

AI3-36898

Heptadecane purum

Normal-heptadecane

PJ8

Heptadecane, 99%

Analytical Reagent,95.0%

4-01-00-00548 (Beilstein Handbook Reference)

CHEMBL3185332

DTXCID5027061

Samarium(III)ChlorideHexahydrate

HSDB 8347

CH3-[CH2]15-CH3

Tox21_302278

LMFA11000003

NSC172782

STL355860

AKOS000487450

MCULE-3718944215

Heptadecane, purum, >=98.0% (GC)

NCGC00256101-01

AS-56326

CAS-629-78-7

DB-054356

CS-0197341

H0023

NS00012511

C01816

D97702

Heptadecane; NSC 172782; TS 7; n-Heptadecane

Q150888

43B472DE-3A6B-4855-8457-9D679B0D1C87

InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H

The Henry's Law constant for heptadecane is estimated as 3.1X10-2 atm-cu m/mole(SRC) derived from its vapor pressure, 2.28X10-4 mm Hg(1), and water solubility, 2.3X10-3 mg/L(2). This Henry's Law constant indicates that heptadecane 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)(4) is estimated as 1.6 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)(4) is estimated as 6.2 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(5). Heptadecane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Heptadecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) WakehamSG et al; Canadian J Fish Aquat Sci 40: 304-21 (1983) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (5) US EPA; EXAMS II Computer Simulation (1987)

In water, 2.3X10-3 mg/L at 25 deg C
Literature: Wakeham SG ET al; Canadian J Fish Aqua Sci 40: 304-21 (1983)
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. 3-388
Literature: #Slightly soluble in ethanol, carbon tetrachloride; 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. 3-288

The Koc of heptadecane is 2.5X10+5(1). According to a classification scheme(2), this Koc value suggests that heptadecane is expected to be immobile in soil.
Literature: (1) Wakeham SG et al; Canadian J Fish Aqua Sc 40: 304-21 (1983) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

HEXADECANE

n-Hexadecane

544-76-3

Cetane

n-Cetane

Hexadekan

Cetan

Zetan

CCRIS 5833

HSDB 6854

F8Z00SHP6Q

NSC 7334

EINECS 208-878-9

BRN 1736592

AI3-06522

UNII-F8Z00SHP6Q

MFCD00008998

DTXSID0027195

CHEBI:45296

HEXADECANE, N-

NSC-7334

PARAFOL 16-97

DTXCID607195

Hexadecane-1-D 98 atom % d

EC 208-878-9

4-01-00-00537 (Beilstein Handbook Reference)

hexadecan

Pentadecane, methyl-

Hexadecane, analytical standard

CH3-(CH2)14-CH3

CH3-[CH2]14-CH3

CNS

Hexadecane; Cetane; NSC 7334; S 6 (alkane); n-Cetane; n-Hexadecane

Hexadecane solution

n-Hexadecane 10 microg/mL in Acetone

Hexadecane, >=99%

HEXADECANE [HSDB]

HEXADECANE [INCI]

Hexadecane, p.a., 99%

UNII: F8Z00SHP6Q

Hexadecane_RamanathanGurudeeban

CHEMBL134994

QSPL 025

QSPL 078

QSPL 116

Hexadecane, anhydrous, >=99%

NSC7334

Hexadecane, ReagentPlus(R), 99%

Tox21_300485

LMFA11000577

STL453674

AKOS025212855

Hexadecane, purum, >=98.0% (GC)

NCGC00164132-01

NCGC00164132-02

NCGC00254306-01

AS-56424

CAS-544-76-3

SY010655

DB-052582

Hexadecane, Vetec(TM) reagent grade, 98%

CS-0152222

H0066

NS00009955

S0288

D97389

A830206

Q150843

5166841B-BF92-4A7D-8CEF-0B01B374ED0E

InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H

The Henry's Law constant for hexadecane is estimated as 21 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00149 mm Hg(1), and water solubility, 2.1X10-5 mg/L(2). This Henry's Law constant indicates that hexadecane 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 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)(3) is estimated as 6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is approximately 24 months if adsorption is considered(4). n-Hexadecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexadecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Dhemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. Taylor & Francis, Washington, DC (1999) (2) Coates M et al; Environ Sci Technol 19: 628-32 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of hexadecane can be estimated to be 53,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that hexadecane is expected to be immobile in soil(SRC). From the experimental value of Freundlich adsorption constants and organic carbon contents in three Canadian soils (Wendover 16.2% OC; Vaudreil 10.0% OC; Grimsby 1.0% OC)(3), Koc values can be estimated to be in the range of approximately 50-400(SRC). The experimental data of other investigators suggest that less than 20% of hexadecane from solution is adsorbed in soil, sludge and sediment(4-6). However, in all the adsorption experiments(3-6), the concentration of hexadecane solution used for the adsorption study far exceeded the aqueous solubility of hexadecane making the results questionable(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 17, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Nathwani JS, Phillips CR; Chemosphere 6: 157-62 (1977) (4) Meyers PA, Quinn JG; Nature 244: 23-4 (1973) (5) Kanatharana P, Grob RL; J Environ Sci Health A18: 59-77 (1985) (6) Lee RF; pp. 611-6 in Proc 1977 Oil Spill Conf. New Orleans, LA: American Petroleum Institute (1977)

DODECANE

n-Dodecane

112-40-3

Dihexyl

Bihexyl

Adakane 12

93685-81-5

N-Dodecan

Duodecane

Ba 51-090453

NSC 8714

CCRIS 661

dodecan

Dodekan

HSDB 5133

EINECS 203-967-9

UNII-11A386X1QH

BRN 1697175

DTXSID0026913

CHEBI:28817

11A386X1QH

NSC-8714

DTXCID906913

EC 203-967-9

4-01-00-00498 (Beilstein Handbook Reference)

93924-07-3

Undecane, methyl-

n-Dodecan [German]

CH3-(CH2)10-CH3

CH3-[CH2]10-CH3

Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated

129813-67-8

D12

normal dodecane

Normal Paraffin M

EINECS 297-629-8

EINECS 300-199-7

MFCD00008969

Norpar 13

Dodecane, 99%

Alkane C(12)

1-DODECANE

DODECANE [HSDB]

DODECANE [INCI]

C12-N-ALKANE

EC 300-199-7

Dodecane(mixture of isomers)

Dodecane, analytical standard

CHEMBL30959

Density Standard 749 kg/m3

Dodecane, anhydrous, >=99%

WLN: 12H

CH3(CH2)10CH3

NSC8714

Tox21_303615

Dodecane, ReagentPlus(R), >=99%

LMFA11000004

STL280320

Dodecane, technical, >=90% (GC)

AKOS015904160

MCULE-3947157412

NCGC00166012-01

NCGC00257481-01

CAS-112-40-3

DA-16704

LS-14163

CS-0152244

D0968

NS00009666

D5580 n-Dodecane, 1.5% w/w in Isooctane

C08374

Q150744

1310FACD-F2BF-4FD7-BC20-B21DF06EDE79

J-002767

Dodecane, certified reference material, TraceCERT(R)

F0001-0259

Density Standard 749 kg/m3, H&D Fitzgerald Ltd. Quality

InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H

The Henry's Law constant for dodecane is estimated as 8.2 atm-cu m/mole(SRC) derived from its vapor pressure, 0.135 mm Hg(1), and water solubility, 3.7X10-3 mg/L(2). This Henry's Law constant indicates that dodecane 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 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)(3) is estimated as 5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 32 days if adsorption is considered(4). Dodecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dodecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Kertes AS; Hydrocarbons with Water and Seawater Part II. Hydrocarbons C8 to C31. Solubility Data Series Vol 38. Shaw PC, ed., London, UK: Pergamon Press, 553 pp (1989) (2) 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 5 Vol (1994) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dodecane can be estimated to be 4800(SRC). According to a classification scheme(2), this estimated Koc value suggests that dodecane is expected to have slight mobility in soil. In a study conducted to mimic a spill of 1.27 L/sq m, dodecane (present in JP-4 jet fuel) was transported to a depth of 10 cm; at the end of the study (134 days), it was no longer detected(3). In another study, it was determined that dodecane is slowly intercalated into well dried montmorillonite clay(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 25, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton, OH: Monsanto Res Corp. pp. 173 (1982) (4) Eltantawy IM, Arnold PW; Nature (London) Phys Sci 237: 123-25 (1972)