3-Phenylpropanoyl bromide

1-Bromo-3-phenyl-1-propanone

10500-29-5

Hydrocinnamoyl bromide

Benzenepropanoyl bromide

3-Phenylpropionyl bromide

3-Phenylpropanoyl bromide #

SCHEMBL9717300

KNNKTMOYEUWZNP-UHFFFAOYSA-N

3-Methylpyrazole

5-methyl-1H-pyrazole

1453-58-3

3-Methyl-1H-pyrazole

88054-14-2

1H-Pyrazole,5-methyl-

1H-Pyrazole, 3-methyl-

5-Methylpyrazole

3(5)-Methylpyrazole

1H-Pyrazole, 5-methyl-

Pyrazole, 5-methyl-

PYRAZOLE, 3-METHYL-

methylpyrazole

3-Methyl pyrazole

1H-pyrazole-3-methyl

MFCD00005240

MFCD08685900

W7KU1RRO6U

CHEMBL3275944

EINECS 215-925-7

UNII-W7KU1RRO6U

BRN 0001454

3-methyl-pyrazole

3-methyl-1-H-pyrazole

3-Methyl-1,2-diazole

3-Methylpyrazole, 97%

EC 215-925-7

3-methyl-1(2)H-pyrazole

5-23-05-00004 (Beilstein Handbook Reference)

Pyrazole, 3(or 5)-methyl-

DTXSID3073260

5-Methyl-1H-pyrazole, AldrichCPR

BCP23867

CS-B0947

STR06996

BDBM50497139

s5146

STK263690

AKOS000265788

AKOS000311487

AC-2646

AM62623

CCG-266014

FD18008

MCULE-3441401586

HY-66054

PD088278

DB-028555

AM20120265

M0564

NS00001409

EN300-44939

3-Methylpyrazole, analytical reference material

J-512822

Q-101885

Q27292441

F9995-1460

Z450469310

Pyrazole, 3(or 5)-methyl- (6CI,7CI); Pyrazole, 3-methyl- (8CI); 3-Methyl-1H-pyrazole; 3-Methylpyrazole; 5-Methylpyrazole

4-(2-Aminoethyl)benzenesulfonyl fluoride

34284-75-8

AEBSF

4-(2-Aminoethyl)benzenesulfonylfluoride

4-(2-aminoethyl)benzene-1-sulfonyl fluoride

Benzenesulfonyl fluoride, 4-(2-aminoethyl)-

F5D36L5354

AES

4-beta-Aminoethylbenzolsulfofluoride

CHEMBL1256178

SR-01000075690

ABSF

Lopac-A-8456

Lopac0_000132

SCHEMBL77781

CHEMBL1096339

UNII-F5D36L5354

DTXSID40187844

BDBM50398077

CCG-204227

DB07347

SDCCGSBI-0050120.P002

NCGC00015097-01

NCGC00015097-02

NCGC00015097-03

NCGC00015097-12

NCGC00162071-01

PD005322

NS00015316

[4-(2-Aminoethyl)-benzenesulphonyl fluoride]

G22633

EN300-1581783

Q290992

BENZENESULFONYL FLUORIDE, P-(2-AMINOETHYL)-

SR-01000075690-6

resorcinol

108-46-3

benzene-1,3-diol

1,3-Benzenediol

Resorcin

1,3-Dihydroxybenzene

m-Hydroquinone

m-Hydroxyphenol

m-Dihydroxybenzene

3-Hydroxyphenol

m-Benzenediol

Resorcine

m-Dioxybenzene

Dihydroxybenzol

Resorzin

Developer O

Developer R

Developer RS

Fouramine RS

Fourrine EW

Pelagol RS

Pelagol Grey RS

Resorcinolum

Fourrine 79

Nako TGG

Durafur developer G

C.I. Oxidation Base 31

Phenol, m-hydroxy-

C.I. Developer 4

Benzene, m-dihydroxy-

Rcra waste number U201

Benzene, 1,3-dihydroxy-

3-Hydroxycyclohexadien-1-one

FEMA No. 3589

Acnomel

Resorcinum

Rezamid

Sulforcin

Resorcinol (USP)

NCI-C05970

NSC 1571

C.I. 76505

CCRIS 4052

HSDB 722

UNII-YUL4LO94HK

YUL4LO94HK

RCRA waste no. U201

NSC-1571

EINECS 203-585-2

.alpha.-Resorcinol

Resorcin (JAN)

Resorcin (TN)

Resorcinol [USP]

EPA Pesticide Chemical Code 071401

BRN 0906905

1,3-Dihydroxybenzol

DTXSID2021238

CHEBI:27810

AI3-03996

CHEMBL24147

DTXCID601238

C.I.-76505

EC 203-585-2

4-06-00-05658 (Beilstein Handbook Reference)

Resorcinol [UN2876] [Poison]

MFCD00002269

NCGC00091501-01

RESORCIN [JAN]

BENZENE,1,3-DIHYDROXY RESORCINOL

RESORCINOL (IARC)

RESORCINOL [IARC]

RESORCINOL (MART.)

RESORCINOL [MART.]

RESORCINOL (USP-RS)

RESORCINOL [USP-RS]

RCO

Caswell No. 723

RESORCINOL (EP MONOGRAPH)

RESORCINOL [EP MONOGRAPH]

RESORCINOL (USP MONOGRAPH)

RESORCINOL [USP MONOGRAPH]

Rezorsine

m-phenylenediol

Reso

Rodol RS

CAS-108-46-3

FLUORESCEIN IMPURITY A (EP IMPURITY)

FLUORESCEIN IMPURITY A [EP IMPURITY]

HEXYLRESORCINOL IMPURITY B (EP IMPURITY)

HEXYLRESORCINOL IMPURITY B [EP IMPURITY]

UN2876

Remazol

RS 11H

RS 11L

m-hydroxy-phenol

3-hydroxy-phenol

Resorcinol, ACS

3aqt

3-Hydroxy phenol

Resorcinol, 8CI

benzen-1,3-diol

Resorcinol, Reagent

1,3-benzene diol

Resorcine, technical

1,3-dihyroxybenzene

Acnomel (Salt/Mix)

Eskamel (Salt/Mix)

Rezamid (Salt/Mix)

phenol derivative, 3

26982-54-7

Benzene,3-dihydroxy-

NAKO-TGG

Sulforcin (Salt/Mix)

1,3-dihydroxy-benzene

Spectrum_000173

M-Dihydroxybenzene,(S)

RESORCINOL [MI]

Spectrum2_001310

Spectrum3_000895

Spectrum4_000990

Spectrum5_001152

RESORCINOL [FHFI]

RESORCINOL [HSDB]

RESORCINOL [INCI]

RESORCINUM [HPUS]

WLN: QR CQ

DURAFOR DEVELOPER G

RESORCINOL [VANDF]

bmse000415

1,3-Dihydroxybenzene, XII

NCIOpen2_003867

RESORCINOL [WHO-DD]

SCHEMBL15515

KBioGR_001399

KBioSS_000653

Resorcinol, >=98%, FG

Resorcinol, Flake, Technical

Resorcinol, LR, >=99%

BIDD:ER0285

DivK1c_000041

SPECTRUM1500527

SPBio_001379

Resorcinol, BioXtra, >=99%

BDBM26189

FEMA 3589

HMS500C03

KBio1_000041

KBio2_000653

KBio2_003221

KBio2_005789

KBio3_001810

Resorcinol, reagent grade, 98%

NSC1571

4e49

NINDS_000041

HMS1920P06

HMS2092G07

Pharmakon1600-01500527

1,3-Dihydroxybenzene (Resorcinol)

Resorcinol (1,3-Dihydroxybenzene)

HY-B0907

Resorcinol, ReagentPlus(R), 99%

Tox21_111140

Tox21_202417

Tox21_300140

CCG-39248

NSC757310

Resorcinol 10 microg/mL in Methanol

Resorcinol, Crystalline Powder, USP

STL185604

AKOS000119813

Resorcinol, ACS reagent, >=99.0%

Tox21_111140_1

DB11085

MCULE-7018276061

NSC-757310

UN 2876

IDI1_000041

NCGC00091501-02

NCGC00091501-03

NCGC00091501-04

NCGC00091501-05

NCGC00091501-06

NCGC00253918-01

NCGC00259966-01

Resorcinol, p.a., 99.0-100.5%

Resorcinol, tested according to Ph.Eur.

AC-14363

BP-21158

LS-13122

Resorcinol, SAJ first grade, >=98.0%

SBI-0051505.P003

Resorcinol, JIS special grade, >=99.0%

NS00007013

R0008

S4579

3-Hydroxycyclohexadien-1-one;3-Hydroxyphenol

EN300-19643

1,3-BENZENEDIOL; 1,3-DIHYDROXYBENZENE

C01751

D00133

AB00052085_03

A801880

Q408865

SR-05000002092

FLUORESCEIN SODIUM IMPURITY A [EP IMPURITY]

Q-201666

SR-05000002092-1

BRD-K74190368-001-02-7

F1908-0097

Resorcinol, certified reference material, TraceCERT(R)

Z104474576

Resorcinol, European Pharmacopoeia (EP) Reference Standard

Resorcinol, United States Pharmacopeia (USP) Reference Standard

InChI=1/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8

Hymecromone impurity A, European Pharmacopoeia (EP) Reference Standard

Resorcinol, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for resorcinol is estimated as 9.9X10-11 atm-cu m/mole(SRC) derived from its vapor pressure, 4.89X10-4 mm Hg(1), and water solubility, 7.17X10+5 mg/L(2). This Henry's Law constant indicates that resorcinol is expected to be essentially nonvolatile from water and moist soil surfaces(3). Resorcinol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).

The Koc of resorcinol in a clay loam soil from the Michigan State University Soils Research Farm was measured to be 10.36(1). According to a classification scheme(2), this estimated Koc value suggests that resorcinol is expected to have very high mobility in soil. The pKa1 of resorcinol is 9.30(3), indicating that this compound will exist partially 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(4).

4-(biphenyl-4-yloxy)-phenol

4-(4'-Hydroxyphenoxy)biphenyl

SCHEMBL4320112

Pilocarpic acid

28406-15-7

978XN1E1ZN

(2S,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methylimidazol-4-yl)butanoic acid

UNII-978XN1E1ZN

Pilocarpinsaure

(2R,3R)-2-ethyl-3-(hydroxymethyl)-4-(3-methyl-4-imidazolyl)butanoic acid

1,2-SECOPILOCARPIN-2-OIC ACID

PILOCARPINE NITRATE IMPURITY B [EP IMPURITY]

Q27271985

PILOCARPINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]

PILOCARPINE HYDROCHLORIDE IMPURITY PILOCARPIC ACID [USP IMPURITY]

(2S,3R)-2-ETHYL-3-(HYDROXYMETHYL)-4-(1-METHYL-1H-IMIDAZOL-5-YL)BUTANOIC ACID

(2S,3R)-2-Ethyl-4-hydroxy-3-((1-methyl-1H-imidazol-5-yl)methyl)butanoic acid

1H-Imidazole-5-butanoic acid, alpha-ethyl-beta-(hydroxymethyl)-1-methyl-, (alphaS,betaR)-

1H-Imidazole-5-butanoic acid, alpha-ethyl-beta-(hydroxymethyl)-1-methyl-, (S-(R*,S*))-

1H-IMIDAZOLE-5-BUTANOIC ACID, .ALPHA.-ETHYL-.BETA.-(HYDROXYMETHYL)-1-METHYL-, (.ALPHA.S,.BETA.R)-

1H-IMIDAZOLE-5-BUTANOIC ACID, .ALPHA.-ETHYL-.BETA.-(HYDROXYMETHYL)-1-METHYL-, (S-(R*,S*))-

farnesol

trans,trans-Farnesol

106-28-5

(E,E)-Farnesol

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

4602-84-0

trans-Farnesol

(2E,6E)-Farnesol

2-trans,6-trans-Farnesol

All-trans-Farnesol

Farnesyl alcohol

3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol

Inhibitor A2

FCI 119a

2,6-Di-trans-Farnesol

(E)-farnesol

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-

HSDB 445

2,6,10-dodecatrien-1-ol, 3,7,11-trimethyl-, (2E,6E)-

2E,6E-farnesol

3,7,11-trimethyldodeca-2,6,10-trien-1-ol

3,7,11-Trimethyl-2,6,10-dodecatrienol

CHEBI:16619

X23PI60R17

(2-trans,6-trans)-farnesol

(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol

Trimethyl dodecatrienol

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (E,E)-

CIS-TRANS-FARNESOL

EINECS 225-004-1

UNII-EB41QIU6JL

NSC 60597

EPA Pesticide Chemical Code 128911

Nikkosome

AI3-44561

(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol

trans,trans-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol

MFCD00002918

FEMA No. 2478

EB41QIU6JL

DTXCID80196591

transfarnesol

UNII-X23PI60R17

trans- farnesol

trans,trans-Farnesol; trans-Farnesol

.beta.-Farnesol

E,E-farnesol

all-trans farnesol

(E,E)farnesol

FOF

trans,trans farnesol

(E,)-arnesol

Farnesol (6CI)

(E,E,)-farnesol

Farnesol, 95%

trans, trans-Farnesol

ALL-E-FARNESOL

Farnesol (2E,6E)

Farnesol, (E,E)-

Farnesol, trans, trans

ST072172

2E,6E-Farnesyl alcohol

mixture of isomers,95%

Spectrum5_002027

trans,trans-alpha-farnesol

trans,trans-Farnesol, 96%

trans,trans-Farnesol, 97%

SCHEMBL58068

2-trans-S-6-trans-farnesol

BSPBio_002660

Farnesol, analytical standard

CHEMBL25308

SPECTRUM1501022

(E)-.BETA.-FARNESOL

DTXSID2040789

(E,E)-2,6-FARNESOL

BDBM11021

CHEBI:26199

CHEBI:28600

FARNESOL, (2E,6E)-

HY-Y0248A

AMY33538

BCP22704

Tox21_302034

AC-422

BBL027412

CCG-38862

s4941

STL372743

AKOS004907430

LMPR0103010001

NCGC00095654-01

NCGC00095654-02

NCGC00095654-03

NCGC00095654-04

NCGC00095654-05

NCGC00255293-01

trans,trans-Farnesol, analytical standard

AS-16107

LS-14447

CAS-4602-84-0

FARNESOL TRANS,TRANS-FARNESOL [MI]

CS-0031456

FEMA NO. 2478, (2E,6E)-

NS00007807

T0608

C01126

EN300-1692687

A801411

Q420449

Q-201851

W-109985

BRD-K24656285-001-01-0

(2E, 6E)-3,7,11-trimethyl2,6,10-dodecatrien-1-ol

(E,E,)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol

F1905-7040

Z2315575130

(2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trien-1-ol

(E,E)-3,7,11-TRIMETHYL-2,6,10-DODECATNEN-1-OL

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- (8CI,9CI)

A2865747-EC66-4B9C-A593-0A066A438904

(2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

3,7,11-TRIMETHYLDODECA-2-TRANS,6-TRANS,10-TRIEN-1-OL

InChI=1/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11

trans,trans-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol

The Henry's Law constant for farnesol is estimated as 2.5X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that farnesol 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 9 hrs(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 7 days(SRC). Farnesol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.9X10-5 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) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)

Soluble in three volumes of 70% alcohol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 484
Literature: #SOL IN ALCOHOL: 1:3 IN 70% ALCOHOL
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. 201
Literature: #Solubility in alcohol: 1 mL in 1 mL 95% ethanol
Literature: FCC; Food chemicals codex. Committee on Food Chemicals Codex, Food and Nutrition Board, Institute of Medicine. 5th.. Washington, DC: National Academy Press p. 562 (2003)
Literature: #Insoluble in water
Literature: FCC; Food chemicals codex. Committee on Food Chemicals Codex, Food and Nutrition Board, Institute of Medicine. 5th.. Washington, DC: National Academy Press p. 562 (2003)
Literature: #In water, 1.7 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Feb 6, 2007: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

Using a structure estimation method based on molecular connectivity indices(1), the Koc of farnesol can be estimated to be 1,300(SRC). According to a classification scheme(2), this estimated Koc value suggests that farnesol is expected to have low mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

BENZOTHIAZOLE

95-16-9

BENZO[D]THIAZOLE

1,3-Benzothiazole

Benzosulfonazole

1-Thia-3-azaindene

Vangard BT

benzothiazol

USAF EK-4812

FEMA No. 3256

CHEBI:45993

O-2857

MFCD00005775

G5BW2593EP

DTXSID7024586

NSC-8040

BT

DTXCID204586

benzthiazole

FEMA Number 3256

CAS-95-16-9

CCRIS 7893

HSDB 2796

NSC 8040

EINECS 202-396-2

BRN 0109468

UNII-G5BW2593EP

s-benzothiazole

AI3-05742

Benzothiazole, 96%

1,3-Benzothiazole #

BENZOTHIAZOLE [MI]

Epitope ID:138946

EC 202-396-2

SCHEMBL8430

BENZOTHIAZOLE [FHFI]

BENZOTHIAZOLE [HSDB]

WLN: T56 BN DSJ

4-27-00-01069 (Beilstein Handbook Reference)

MLS001050134

Benzothiazole, >=96%, FG

CHEMBL510309

SCHEMBL9304593

NSC8040

Benzothiazole, analytical standard

AMY23315

Tox21_201853

Tox21_303232

BDBM50444460

LT0034

STL268890

AKOS000120178

AC-3297

CS-W013350

FS-4155

HY-W012634

MCULE-5257468117

NCGC00091399-01

NCGC00091399-02

NCGC00257070-01

NCGC00259402-01

BOT

SMR001216577

DB-057562

B0092

NS00000291

Benzothiazole, Vetec(TM) reagent grade, 96%

EN300-19148

D77749

AC-907/25014160

Q419096

Q-100900

F0001-2268

Z104472964

InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5

The Henry's Law constant for benzothiazole is estimated as 3.7 X 10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that benzothiazole will volatilize slowly from water surfaces(2,SRC). 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) is estimated as approximately 114 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 832 days(2,SRC). Benzothiazole's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces should be slow(SRC).
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)

The Koc of benzothiazole is estimated as approximately 295(SRC), using an experimental log Kow of 2.01(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzothiazole has moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Hydrophobic, Electronic and Stearic Constants Washington DC: Amer Chem Soc (1995) (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: 23 (1983)

1,1,4a,5,6-Pentamethyldecahydronaphthalene

5951-58-6

1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

Decahydro-1,1,4a,5,6-pentamethylnaphthalene

B6L7EVH458

1,1,4a,5,6-pentamethyldecalin

starbld0004379

UNII-B6L7EVH458

80655-44-3

Naphthalene, decahydro-1,2,5,5,8a-pentamethyl-, stereoisomer

DTXSID70974921

CVRSZZJUWRLRDE-UHFFFAOYSA-N

DB-238101

Decahydro-1,2,5,5,8a-pentamethylnaphthalene stereoisomer

5,8-Diethyldodecane

Dodecane, 5,8-diethyl-

5,8-diethyl-dodecane

24251-86-3

2-METHYLOCTANE

3221-61-2

Isononane

Octane, 2-methyl-

Heptane, dimethyl-

2-methyl-octane

2-Methyl octane

DIMETHYLHEPTANE

34464-40-9

68551-15-5

AV5KXW7I9L

30498-66-9

MFCD00027307

NSC-23695

Isononane (8CI,9CI)

UNII-AV5KXW7I9L

2-METHYLOCTANE, 99%

Dimethyl-Heptane

EINECS 221-748-6

EINECS 252-053-6

EINECS 271-364-8

NSC 23695

METHYLOCTANE, 2-

2-Methyloctane; NSC 23695

DTXSID30863125

NSC23695

Octane, 2-methyl- (8CI)(9CI)

2-Methyloctane, >=99.0% (GC)

AKOS024319139

MCULE-5799144994

LS-13718

DB-048181

DB-303407

M0308

NS00046346

D91311

J-018678

Q2813823

PRISTANE

1921-70-6

2,6,10,14-Tetramethylpentadecane

Norphytane

Norphytan

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

Pristan

meso-Pristane

EINECS 217-650-8

2,6,10,14-tetramethyl-pentadecane

UNII-26HZV48DT1

NSC 114852

BRN 1720538

26HZV48DT1

MFCD00008952

NSC-114852

CHEBI:53181

HSDB 8345

DTXSID70870919

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

NSC114852

2,6,10,10-Tetramethylpentadecane

Meso-form

Norphytane;TMPD

Norphytane, robuoy

starbld0009645

PRISTANE [INCI]

PRISTANE [MI]

2,10,14-Tetramethylpentadecane

DTXCID80818600

2,6,10,14 tetramethylpentadecane

HY-N7819

Pentadecane,6,10,14-tetramethyl-

Pristane, synthetic, >=98% (GC)

AKOS025294812

SY051769

DB-044784

CS-0138139

NS00014009

T0149

D92308

Q425446

W-201712

Pristane, synthetic, liquid, sterile-filtered, BioReagent

Pristane(TM), synthetic 2,6,10,14-Tetramethylpentadecane Molecular biology reagent

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)

1-(4-Bromobutyl)-2-piperidinone

1-(4-bromobutyl)piperidin-2-one

2-Piperidinone, N-[4-bromo-n-butyl]-

SCHEMBL7625589

1-(4-bromobutyl)-2-piperidone

CHEBI:88062

1-(4-Bromobutyl)-2-piperidinone #

N-[4-bromo-n-butyl]-2-piperidinone

Q27160031

195194-80-0

CHEMBL2287715

(e)-N-isobutylundeca-2-en-8,10-diynamide

C15H21NO

N-Isobutylundeca-2(E)-en-8,10-diynamide

SCHEMBL4909511

SCHEMBL4909518

YKYOIMJLSMZUBA-VAWYXSNFSA-N

BDBM50532218

N-Isobutylundeca-2(E)-ene-8,10-diynamide

(2E)-N-Isobutyl-2-undecene-8,10-diynamide #

99615-81-3

N,N'-Methylenediacetamide

3852-14-0

N-(acetamidomethyl)acetamide

Acetamide,N,N'-methylenebis-

N,N'-METHYLENEBISACETAMIDE

NSC-1002

NMDAD

Meco-gly psi(NH-CO)nhme

Diacetamidomethane

N-[(Acetylamino)methyl]acetamide

Methylenebisacetamide

Methylene diacetamide

starbld0011343

AI3-62274

N,N'-methanediyldiacetamide

F2W2DG4LA7

N,N'-Diacetylmethylenediamine

N,N'-Methylenebis[acetamide]

SCHEMBL170514

Acetamide, N,N'-methylenebis-

DTXSID20191848

NSC1002

RRSCVDMNAXVDSV-UHFFFAOYSA-N

Methylene diamine, N,N'-diacetyl-

NSC 1002

N-[(Acetylamino)methyl]acetamide #

STK371973

AKOS005446607

MCULE-3469911833

A3098

Pyridine, 1,2,3,6-tetrahydro-1,2-dimethyl-

694-84-8

1,2,3,6-Tetrahydro-1,2-dimethylpyridine

1,6-Dimethyl-3-piperideine

SCHEMBL8359513

CNUHMPWMVDJTSL-UHFFFAOYSA-N

DTXSID401279256

1,2-Dimethyl-1,2,3,6-tetrahydropyridine #

1,2-EPOXYOCTANE

2984-50-1

2-Hexyloxirane

Hexyloxirane

1-Octene oxide

Oxirane, hexyl-

Octylene epoxide

1-Octene epoxide

Octane 1,2-oxide

Octene-1,2-oxide

1,2-Epoxy-n-octane

n-Octene-1,2-oxide

Octane, 1,2-epoxy-

Epoxyoctane

Oktylenoxid

1,2-Octylene oxide

1,2-Epoxyoktan

2-hexyl-oxirane

NSC 24246

.alpha.-Epoxyoctane

1,2-Epoxyoctane purum

alpha-Epoxyoctane

26637-94-5

Oktylenoxid [Czech]

1,2-Epoxyoktan [Czech]

Octane, epoxy-

CCRIS 3797

EINECS 221-047-5

BRN 0079912

octene oxide

n-Hexyloxirane

AI3-14197

1,2 epoxyoctane

Octane,2-epoxy-

1,2-epoxy octane

1,2-epoxy-octane

1,2-Epoxyoctane, 96%

WLN: T3OTJ B6

SCHEMBL39393

5-17-01-00138 (Beilstein Handbook Reference)

NJWSNNWLBMSXQR-UHFFFAOYSA-

DTXSID301031190

NSC24246

BBL027501

MFCD00005157

NSC-24246

STL373784

AKOS009158672

MCULE-5253323325

AS-48232

BP-26283

PD193090

CS-0152296

E0206

NS00048797

1,2-Epoxyoctane, purum, >=95.0% (GC)

EN300-157817

F20386

J-640005

J-640383

J-660062

J-800005

Z1020680070

InChI=1/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3

2-(Tetradecyloxy)ethanol

2136-70-1

2-tetradecoxyethanol

Ethylene glycol monotetradecyl ether

2-(tetradecyloxy)ethan-1-ol

Ethanol, 2-(tetradecyloxy)-

Myristyl monoethoxylate

2-Tetradecyloxyethanol

Tetradecyl ethyleneglycol monoether

IAC0DWO8W5

27306-79-2

MYRETH-2

2-tetradecyl-oxy-ethanol

UNII-IAC0DWO8W5

SCHEMBL344085

DTXSID50872618

EINECS 218-371-4

AKOS024390812

MCULE-7801199331

AS-58088

AI3-33896

CS-0333623

NS00007536

Q27280634

DICHLOROMETHANE

Methylene chloride

75-09-2

Methylene dichloride

Methane, dichloro-

Methylene bichloride

Methane dichloride

Solaesthin

Solmethine

Narkotil

Freon 30

Aerothene MM

Metylenu chlorek

Chlorure de methylene

Dichlormethan

Metaclen

Soleana VDA

Khladon 30

CH2Cl2

F 30 (chlorocarbon)

Methylenum chloratum

R30 (refrigerant)

RCRA waste number U080

Caswell No. 568

dichloro-methane

NCI-C50102

R 30

HCC 30

Chloride, Methylene

Bichloride, Methylene

Dichloride, Methylene

HSDB 66

CCRIS 392

dichlormethane

Methoklone

Methylenchlorid

Salesthin

NSC 406122

UN 1593

dichloro methane

Chlorodorm D

F 30

EINECS 200-838-9

UNII-588X2YUY0A

EPA Pesticide Chemical Code 042004

BRN 1730800

588X2YUY0A

DTXSID0020868

CHEBI:15767

AI3-01773

Methylene chloride [NF]

NSC-406122

Dichloromethane, HPLC Grade

DTXCID40868

EC 200-838-9

4-01-00-00035 (Beilstein Handbook Reference)

MFCD00000881

NSC406122

Methylene chloride (NF)

DICHLOROMETHANE (IARC)

DICHLOROMETHANE [IARC]

DICHLOROMETHANE (MART.)

DICHLOROMETHANE [MART.]

METHYLENE CHLORIDE (II)

METHYLENE CHLORIDE [II]

Metylenu chlorek [Polish]

METHYLENE CHLORIDE (EP MONOGRAPH)

METHYLENE CHLORIDE [EP MONOGRAPH]

Methylene chloride; Dichloromethane; DCM

MFCD00000882

Chlorure de methylene [French]

Dichloromethane (Methylene Chloride)

UN1593

DICHLOROMETHANE, NF

RCRA waste no. U080

DICHLOROMETHANE, ACS

dichioromethane

dichlormetane

dichloromeihane

dichlorometan

dichlorometane

dichloromethan

dichoromethane

dicloromethane

methylenchoride

metylenchloride

Aerothene

Driverit

Nevolin

dichlor-methane

dichlorometliane

dichlorornethane

dicliloromethane

methylenchloride

methylenechlorid

methYIenechlorid

di-chloromethane

dichloromethane-

methlyenechloride

methylenechloride

methlene chloride

methyene chloride

methylen chloride

methylene chlorie

methylene cloride

metylene chloride

Methylene choride

mehtylene chloride

methlyene chloride

methylene,chloride

methylene-chloride

dichloro -methane

dichloro- methane

methylenedichloride

Distillex DS3

Dichloromethane, ACS reagent, >=99.5%, contains 40-150 ppm amylene as stabilizer

M-clean D

methyl ene chloride

MeCl2

DCM,SP Grade

methylene di chloride

N,N-methylenechloride

dichloromethane radical

Methylene chloride ACS

Cl2CH2

H2CCl2

Dichloromethane, anhydrous

Dichloromethane, for HPLC

NCIMech_000221

WLN: G1G

Dichloromethane (DOT:OSHA)

Dichloromethane, >=99.9%

CHEMBL45967

R 30 (REFRIGERANT)

Dichloromethane, AR, >=99%

Dichloromethane (Peptide Grade)

METHYLENE CHLORIDE [MI]

METHYLENE CHLORIDE [FCC]

DTXSID20188293

DTXSID60166893

METHYLENE CHLORIDE [HSDB]

Dichloromethane, LR, >=99.5%

Dichloromethane, purification grade

dichloromethane; methylene chloride

METHYLENE CHLORIDE [VANDF]

Dichloromethane(Methylene Chloride)

Dichloromethane, analytical standard

Dichloromethane, Environmental Grade

METHYLENE CHLORIDE [USP-RS]

Tox21_202526

STL264204

AKOS009031498

InChI=1/CH2Cl2/c2-1-3/h1H

Dichloromethane [UN1593] [Poison]

Dichloromethane, ACS reagent, 99.5%

MCULE-1114735075

CAS-75-09-2

Dichloromethane, for HPLC, >=99.7%

Dichloromethane, Spectrophotometric Grade

NCGC00091504-01

NCGC00260075-01

Dichloromethane, Guaranteed Reagent Grade

SY010434

Dichloromethane 100 microg/mL in Methanol

Dichloromethane, suitable for PCB analysis

DESFLURANE IMPURITY E [EP IMPURITY]

Dichloromethane 1000 microg/mL in Methanol

D0529

D3478

M0629

NS00004151

Dichloromethane, 99%, stabilized with ethanol

Dichloromethane, for HPLC, >=99.8% (GC)

Dichloromethane, SAJ first grade, >=99.0%

Dichloromethane, Selectophore(TM), >=99.5%

C02271

D02330

Dichloromethane, analytical standard, stabilized

Dichloromethane, JIS special grade, >=99.0%

L023970

Q421748

Q425210

J-610006

Dichloromethane, 99%, stab. with ca. 50ppm amylene

Methylene Chloride HPLC grade Stabilized with Amylene

Dichloromethane, glass distilled HRGC/HPLC trace grade

Dichloromethane, TLC high-purity grade, >=99.8% (GC)

Dichloromethane HPLC, UV/IR, min. 99.8%, isocratic grade

Dichloromethane, special, 99.9%, contains 40-60 ppm Amylene

Dichloromethane, for HPLC, >=99.8%, contains amylene as stabilizer

Dichloromethane, Selectophore(TM), >=99.5% (GC), inhibitor-free

Dichloromethane, technical grade, 95%, contains 40-60 ppm Amylene

Methylene chloride, European Pharmacopoeia (EP) Reference Standard

Dichloromethane, puriss. p.a., ACS reagent, reag. ISO, >=99.9% (GC)

Dichloromethane, UV HPLC spectroscopic, 99.9%, contains 40-60 ppm Amylene

Dichloromethane, ACS reagent, >=99.5%, contains 50 ppm amylene as stabilizer

Dichloromethane, anhydrous, >=99.8%, contains 40-150 ppm amylene as stabilizer

Dichloromethane, anhydrous, contains 40-150 ppm amylene as stabilizer, ZerO2(TM), >=99.8%

Dichloromethane, biotech. grade, 99.9%, contains 40-150 ppm amylene as stabilizer

Dichloromethane, contains 40-150 ppm amylene as stabilizer, ACS reagent, >=99.5%

Dichloromethane, for HPLC, >=99.9%, contains 40-150 ppm amylene as stabilizer

Dichloromethane, puriss., meets analytical specification of Ph.??Eur., NF, >=99% (GC)

Methylene Chloride, Pharmaceutical Secondary Standard; Certified Reference Material

Dichloromethane, >=99.9%, capillary GC grade, suitable for environmental analysis, contains amylene as stabilizer

Dichloromethane, ACS spectrophotometric grade, >=99.5%, contains 50-150 ppm amylene as stabilizer

Dichloromethane, Laboratory Reagent, >=99.9% (without stabilizer, GC), contains 0.1-0.4% ethanol as stabilizer

Dichloromethane, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%, contains 40-60 ppm Amylene

Dichloromethane, puriss. p.a., ACS reagent, reag. ISO, dried, >=99.8% (GC), <=0.001% water

M.C

Residual Solvent Class 2 - Methylene chloride, United States Pharmacopeia (USP) Reference Standard

The Henry's Law constant for dichloromethane is 3.25X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dichloromethane 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 2.9 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)(2) is estimated as 3.7 days(SRC). Half-lives for the evaporation from water of 3-5.6 hours have been determined at moderate mixing conditions(4). When released into an estuarine bay, all the chemical dissipated within 4 km of the release point in the spring and within 8 km in the winter under ice(5). Dichloromethane's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Dichloromethane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 435 mm Hg at 25 °C(3).

Dichloromethane has reported experimentally derived Koc values of 28(1), 36(2), 48 and 8(3). According to a classification scheme(4), these Koc values suggest that dichloromethane is expected to have very high mobility in soil. Dichloromethane is adsorbed strongly to peat moss, less strongly to clay, only slightly to dolomite limestone, and not at all to sand(5).

benzene

benzol

71-43-2

Cyclohexatriene

benzole

Pyrobenzole

Benzine

Benzen

Coal naphtha

Pyrobenzol

Mineral naphtha

Phene

Phenyl hydride

Benzolene

Bicarburet of hydrogen

Motor benzol

Benzeen

Benzin

Benzolo

Fenzen

[6]Annulene

Nitration benzene

(6)Annulene

Benzol 90

NCI-C55276

Benzine (Obs.)

Rcra waste number U019

Benzin (Obs.)

Benzinum

Caswell No. 077

Benzene, pure

1,3,5-cyclohexatriene

CCRIS 70

HSDB 35

NSC 67315

UN 1114

CHEBI:16716

EINECS 200-753-7

EPA Pesticide Chemical Code 008801

DTXSID3039242

AI3-00808

UNII-J64922108F

BENZENE (BENZOL)

NSC-67315

DTXCID20135

CHEMBL277500

Benzene-1,2,4,5-d4

J64922108F

EC 200-753-7

NSC67315

MFCD00003009

54682-86-9

BENZENE (1,3,5-D3)

BENZENE (IARC)

BENZENE [IARC]

BENZENE (MART.)

BENZENE [MART.]

BENZENE (USP-RS)

BENZENE [USP-RS]

phenylmanganese iodide

Benzeen [Dutch]

Benzen [Polish]

Fenzen [Czech]

Benzolo [Italian]

BNZ

Benzene 100 microg/mL in Methanol

Benzene, ACS reagent, >=99.0%

2396-01-2

62485-97-6

UN1114

benzene,iodomanganese(1+)

Benzolum

Benzene (including benzene from gasoline)

p-benzene

benzene-

C6H6

26181-88-4

1hyz

1swi

benzin /obsolete/

1,4-phenylene

benzine /obsolete/

[6]-annulene

Benzene ACS Grade

Benzene HPLC grade

Benzene, for HPLC

Caswell no 077

{[6]Annulene}

MINERAL NAPHTA

Ph-H

Phenyl; Phenyl Radical

2z9g

4i7j

HEADACHE INSOMNIA

BENZENE [VANDF]

BENZINUM [HPUS]

Benzene + aniline combo

BENZENE [HSDB]

BENZENE [MI]

Benzene, labeled with carbon-14 and tritium

WLN: RH

BENZENE [WHO-DD]

22 - BTEX in Soil

Epitope ID:116867

Benzene, purification grade

Benzene, analytical standard

5 - VOCs

Benzene, LR, >=99%

ghl.PD_Mitscher_leg0.503

Benzene, anhydrous, 99.8%

Benzene, AR, >=99.5%

34J - WFD J

3,4-DNH

1l83

220l

223l

7 - VOCs (Perkin Elmer tubes)

Benzene 10 microg/mL in Methanol

DTXSID101337601

DTXSID301037374

trans-N-Methylphenylcyclopropylamine

BCP26158

Benzene 20 microg/mL in Triacetin

Benzene, for HPLC, >=99.8%

Benzene, for HPLC, >=99.9%

Tox21_202487

BDBM50167939

BM 613

STL264205

Benzene 5000 microg/mL in Methanol

Benzene, purum, >=99.0% (GC)

18C - Benzenes, Toluene and Xylenes

AKOS008967253

MCULE-4899719484

Benzene, SAJ first grade, >=99.0%

CAS-71-43-2

USEPA/OPP Pesticide Code: 008801

ACETONE IMPURITY C [EP IMPURITY]

Benzene [UN1114] [Flammable liquid]

Benzene, JIS special grade, >=99.5%

erythro-Phenyl-2-piperidyl-carbinol,(-)

NCGC00090744-01

NCGC00090744-02

NCGC00163890-01

NCGC00163890-02

NCGC00260036-01

trans-N, N-Dimethylphenylcyclopropylamine

Cc-34,(+/-)

RNG

12A. - VOCs - Carbopack X sorbent tubes

Benzene Content (Nominal: 0.62% Volume)

DS-002542

B0020

for HPLC, inverted exclamation markY99.7%

NS00009783

Q0038

Q2270

Benzene 30 microg/mL in N,N-Dimethylacetamide

Benzene, ACS spectrophotometric grade, >=99%

C01407

Benzene, ReagentPlus(R), thiophene free, >=99%

InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6

12 - VOCs - Tenax TA sorbent tubes (Perkin Elmer)

Benzene, puriss. p.a., Reag. Ph. Eur., >=99.7%

Q26841227

BIPERIDEN HYDROCHLORIDE IMPURITY F [EP IMPURITY]

Benzene, Pharmaceutical Secondary Standard; Certified Reference Material

Benzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)

25053-22-9

3355-34-8

The Henry's Law constant for benzene is 5.56X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that benzene 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 hr(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3.5 days(SRC). Benzene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of benzene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 94.8 mm Hg(3).
Literature: (1) Mackay D et al; Environ Sci Technol 13: 333-36 (1979) (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. Design Inst Phys Prop Data, Amer Inst Chem Eng New York, NY: Hemisphere Pub Corp 5 Vol (1989)

An experimentally derived log Koc of 1.93 (Koc = 85) was obtained via reverse phase HPLC (high performance liquid chromatography) with a cyanopropyl column and a mobile phase of water(1). According to a classification scheme(2), this estimated Koc value suggests that benzene is expected to have high mobility in soil. The sorption equilibrium for benzene in a soil/water mixture (ratio soil/water 0.12 kg/l) took 72 hrs(3). The Koc for benzene has also been experimentally determined to be 79(4).
Literature: (1) Hodson J, Williams, NA; Chemosphere 17: 67-77 (1988) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Zhang WX, Bouwer EJ; Biodegradation 8: 167-175 (1997) (4) Johnston CD et al; J Cont Hydrol 33: 377-404 (1998)