NEROLIDOL

FQTLCLSUCSAZDY-UHFFFAOYSA-N

Stirrup

dextro-nerolidol

AC1L1RVY

ACMC-1BP9D

KSC175G6D

(Z)-Nerolidol

CTK0H5361

CHEMBL3182436

DTXSID3022247

(+)-Nerolidol

SpecPlus_000303

Spectrum_001222

DSSTox_CID_2247

DSSTox_GSID_22247

KBioGR_002080

KBioSS_001702

AN-19344

4CN-2161

DSSTox_RID_76528

Spectrum2_001507

Spectrum3_001539

Spectrum4_001720

SPBio_001553

KBio2_006838

KBio3_002458

KBio2_004270

KBio2_001702

KBio1_001343

DivK1c_006399

Tox21_301382

142-50-7

7212-44-4

MCULE-1929267041

NCGC00255198-01

NCGC00344526-01

CAS-7212-44-4

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

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6E)-

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-

Pentadecane_Ramanathan &Gurudeeban

Pentadekan

Pentadecane

pentadecan

YCOZIPAWZNQLMR-UHFFFAOYSA-N

pentadecyl group

Medicinal Plant

N-PENTADECANE

Pentadecane, analytical standard

MYS

AC1L1ZHU

ACMC-1AVXR

AC1Q2W1H

Pentadecane, >=99%

Pentadecane, n-

C15H32

V0208

S0287

CTK2F3650

P0606

UNII-J3N6X3YK96 component YCOZIPAWZNQLMR-UHFFFAOYSA-N

UNII-CI87N1IM01 component YCOZIPAWZNQLMR-UHFFFAOYSA-N

16H6K2S8M2

HSDB 5729

LTBB002322

C08388

LP082233

LP001445

DTXSID6027268

NSC172781

STL280516

CHEMBL1234557

UNII-114P5I43UJ component YCOZIPAWZNQLMR-UHFFFAOYSA-N

DSSTox_CID_7268

CHEBI:28897

UNII-16H6K2S8M2

ZINC1531089

SC-73247

TL8004333

TRA0009260

DSSTox_GSID_27268

ANW-34476

AN-22063

MFCD00008990

UNII-FW7807707B component YCOZIPAWZNQLMR-UHFFFAOYSA-N

DSSTox_RID_78379

ghl.PD_Mitscher_leg0.43

LMFA11000006

NSC 172781

CH3(CH2)13CH3

TR-021671

RTR-021671

LS-101397

NSC-172781

AKOS015902386

BRN 1698194

FT-0637675

I14-19380

Tox21_300535

629-62-9

I14-100418

NCGC00164185-01

NCGC00164185-02

NCGC00254392-01

Pentadecane, >=98.0% (GC)

MCULE-1292711626

EINECS 211-098-1

CH3-[CH2]13-CH3

CAS-629-62-9

MolPort-003-933-014

4-01-00-00529 (Beilstein Handbook Reference)

896D4B7E-BF33-4D54-82CE-7360D88E8DC8

The Henry's Law constant for n-pentadecane is estimated as 34.4 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00492 mm Hg(1), and water solubility, 4X10-5 mg/L(2). This Henry's Law constant indicates that n-pentadecane 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 5.8 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 30 months if adsorption is considered(4). n-Pentadecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Pentadecane 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. Washington, DC: Taylor & Francis, (1994) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 1081 (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) US EPA; EXAMS II Computer Simulation (1987)

In water, 4.0X10-5 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 806
Literature: #Very soluble in ethyl ether, ethanol
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-436

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-pentadecane can be estimated to be 29,200(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-pentadecane is expected to be immobile in soil. In a study conducted to mimic a spill of 1.27 L/sq-m, n-pentadecane (present in JP-4 jet fuel) was transported to a depth of 50 cm; at the end of the study (134 days), it was still detected(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 11, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (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 Research Corp. pp. 173 (1982)

VMYXUZSZMNBRCN-UHFFFAOYSA-N

Curcumene

aromatic curcumene

alpha-Curcumene

aryl-curcumene

Curcumene

Ar-Curcumene

AC1L3NI1

.alpha.-Curcumene

LP102105

CHEBI:62757

644-30-4

2-Methyl-6-p-tolyl-2-heptene

2-Heptene, 2-methyl-6-p-tolyl-

1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene

1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzene #

1-methyl-4-(6-methylhept-5-en-2-yl)benzene

1-(1,5-dimethyl-hex-4-enyl)-4-methyl-benzene

Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-

XZRVRYFILCSYSP-OAHLLOKOSA-N

beta-Bisabolene

l-beta-Bisabolene

.beta.-Bisabolene

S19BRC22QA

UNII-S19BRC22QA

l-.beta.-Bisabolene

(S)-beta-bisabolene

C19751

C16775

CHEMBL1077088

ZINC1846611

CHEBI:49263

(-)-beta-bisabolene

FT-0622892

LMPR0103060013

495-61-4

(-)-.beta.-bisabolene

(+,-)-.beta.-Bisabolene

(S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene

1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene

(4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene

(1S)-bisabola-4,7(11),10(15)-triene

Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-

1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-

(S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene

1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-

(1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene

alpha-Cubebene

AC1L9CO8

438H9S5RG9

C09647

PL001071

DTXSID3058325

ZINC8234284

UNII-438H9S5RG9

CHEBI:10224

Caswell No. 264AB

(-)-alpha-Cubebene

AKOS015913737

EPA Pesticide Chemical Code 117901

I14-45219

alpha-Cubebene, (-)-

17699-14-8

1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aS,3bR,4S,7R,7aR)-

1H-Cyclopenta(1,3)cyclopropa(1,2)benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methyl-ethyl)-, (3aS-(3aalpha,3bbeta,4beta,7alpha,7aS*))-

(1R,5S,6R,7S,10R)-4,10-DIMETHYL-7-(PROPAN-2-YL)TRICYCLO[4.4.0.0(1),?]DEC-3-ENE

ICKWICRCANNIBI-UHFFFAOYSA-N

AC1L1OHA

AC1Q1LUF

2,4-ditertiarybutylphenol

antioxidantno.33

FOB94G6HZT

AC1Q1M8L

AC1Q7A8R

UNII-FOB94G6HZT

K743

KSC490K4N

CHEMBL29873

Prodox 146

PubChem16035

2,4-Di-tert-butylhydroxybenzene

2,4-di-tertbutylphenol

2,4-ditert-butylphenol

2,4di-tert-butylphenol

24-Ditert-Butyl-Phenol

CTK3J0546

D0229

2,4-tert-butylphenol

ACMC-209s7n

NE10618

RP26248

SCHEMBL109921

2,4-ditertiary-butyl phenol

Antioxidant No. 33

CL 2725

DTXSID2026602

NSC174502

OR004378

OR095487

SBB060741

ZB015855

2,4-Di-tert-butylphenol

2,4-di-tert.butylphenol

2,4-ditert-butyl phenol

2,4-ditert-butyl-phenol

CHEBI:89188

DSSTox_CID_6602

ZINC1081075

2,4-DI-T-BUTYLPHENOL

AJ-24883

AK-89694

AN-24359

ANW-40833

CJ-04718

DSSTox_GSID_26602

ST2415739

BDBM50409544

DSSTox_RID_78158

MFCD00008828

Phenol,4-di-tert-butyl-

Prodox 146A-85X

ZINC01081075

2,4-bis(tert-butyl)phenol

KB-164879

LS-104318

NSC 174502

NSC-174502

RTR-031280

ST50308551

TR-031280

2,4-di-tert-butyl phenol

2,4-di-tert-butyl-pheno

2,4-Di-tert-butyl-phenol

2,4-Di-tert.-butylphenol

AKOS003669719

I01-6981

Q-200191

2,4-di-t-butyl-phenol

BRN 1910383

FT-0610222

TRA-0206429

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

96-76-4

Tox21_202320

Tox21_300114

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

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

2，4-Ditert-Butyl-Phenol

CAS-96-76-4

MCULE-6010467095

NCGC00164059-01

NCGC00164059-02

NCGC00164059-03

NCGC00254167-01

NCGC00259869-01

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

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

EINECS 202-532-0

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

50356-26-8

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

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

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

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

652152-53-9

MolPort-000-917-830

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

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

(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-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(

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

ZXGMEZJVBHJYEQ-UHFFFAOYSA-N

AC1L3LEJ

AN-18075

EINECS 245-999-6

EINECS 258-966-6

24048-13-3

2,6,10-trimethyl-5,9-undecadienal

2,6,10-Trimethylundeca-5,9-dienal

5,9-Undecadienal, 2,6,10-trimethyl-

2,6,10-Trimethyl-5,9-undecadien-1-al

hexahydrofarnesol

HDPUXESLSOZSIB-UHFFFAOYSA-N

Hexa-hydro-farnesol

AC1L3DNM

SCHEMBL95500

QSPL 138

CTK5C6253

LP022503

3,7,11-trimethyldodecanol

CHEBI:84239

AKOS028111046

1-Dodececanol,3,7,11-trimethyl

3,7,11-trimethyldodecan-1-ol

3,7,11-Trimethyl-1-dodecanol

6750-34-1

1-Dodecanol,3,7,11-trimethyl-

MolPort-028-950-066

1-Dodecanol, 3,7,11-trimethyl-

2.62e-04 g/l
Literature: ALOGPS

Lignocerane

TETRACOSANE

POOSGDOYLQNASK-UHFFFAOYSA-N

n-Tetracosane

Tetracosane, analytical standard

AC1L1ZXC

AC1Q28TZ

YQ5H1M1D7I

Tricosane, methyl-

ACMC-1B0GQ

Tetracosane, 99%

KSC357O9B

UNII-YQ5H1M1D7I

C24H50

6714AF

NSC2984

S0296

CTK2F7790

HSDB 8354

LP001499

NSC 2984

NSC-2984

DTXSID8060955

SBB060079

STL301146

ZINC6920417

CHEBI:32936

TRA0079740

TL8004607

AN-20472

ANW-34924

CC-33170

MFCD00009352

LMFA11000585

C-24771

ST51046323

AI3-52698

TR-022119

RTR-022119

DB-054706

AKOS015843189

FT-0632744

n-Tetracosane, 99% 5g

I14-106317

646-31-1

MCULE-5174537376

CH3-[CH2]22-CH3

EINECS 211-474-5

MolPort-003-933-016

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)

tetramethylpentadecane

Norphytane

XOJVVFBFDXDTEG-UHFFFAOYSA-N

PRISTANE

Norphytan

Bute hydrocarbon

Pristan

meso-Pristane

Norphytane, robuoy

AC1Q28RA

AC1L270X

ACMC-209evn

6529AF

C19H40

CTK3J0447

VZ36859

HSDB 8345

2,10,14-Tetramethylpentadecane

NSC114852

LP002696

CHEBI:53181

Pristane, synthetic, liquid, sterile-filtered, BioReagent

DTXSID70870919

CC-33922

ANW-23553

ACM1921706

C-28168

MFCD00008952

DB-044784

TR-008921

RTR-008921

NSC-114852

NSC 114852

LS-101400

AKOS025294812

W-201712

BRN 1720538

2,6,10,14-Tetramethylpentadecane

FT-0610506

2,6,10,10-Tetramethylpentadecane

2,6,10,14-tetramethylpentadecan

Pentadecane,6,10,14-tetramethyl-

Pristane, synthetic, >=98% (GC)

2,6,10,14-tetramethyl-pentadecane

1921-70-6

EINECS 217-650-8

MolPort-003-939-556

Pentadecane, 2,6,10,14-tetramethyl-

3-01-00-00570 (Beilstein Handbook Reference)

The Henry's Law constant for pristane is estimated as 68 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that pristane 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 1.6 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)(3) is estimated as 6.5 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 greater than 2 years if adsorption is considered (4). Pristane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, this process is expected to be attenuated by adsorption. Pristane is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.4X10-3 mm Hg(SRC), determined from a fragment constant method(3).
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 November 7, 2016: http://www2.epa.gov/tsca-screening-tools (4) US EPA; EXAMS II Computer Simulation (1987)

In water, 1.0X10-8 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 1212
Literature: #Soluble in most organic solvents
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. 1134
Literature: #Very soluble in benzene, ether, chloroform, petroleum ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-506
Literature: #Soluble in carbon tetrachloride
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK: Royal Society of Chemistry, 2013., p. 1437

Using a structure estimation method based on molecular connectivity indices(1), the Koc of pristane can be estimated to be 1.8X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that pristane is expected to be immobile in soil(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 7, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Trichodiene

YFLSTROSSKYYNK-CABCVRRESA-N

AC1L3G35

AC1Q29Z6

697ERP55B1

C01860

CHEMBL2251626

OR252998

CHEBI:15861

UNII-697ERP55B1

LMPR0103180001

1,4-Dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene

28624-60-4

(4S)-1,4-dimethyl-4-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexene

cyclohexene, 1,4-dimethyl-4-((1s)-1-methyl-2-methylenecyclopentyl)-,(4s)-

Cyclohexene, 1,4-dimethyl-4-((1S)-1-methyl-2-methylenecyclopentyl)-, (4S)-

(+)-Verticillol

LMPR0104380001

(1R,11R,14R)-4,8,14,15,15-Pentamethylbicyclo[9.3.1]pentadecane-4,8-diene-14-ol