2,4,5-TRIMETHOXYBENZALDEHYDE

4460-86-0

Asaraldehyde

Asarylaldehyde

Asaronaldehyde

Azarylaldehyde

Gazarin

3,4,6-Trimethoxybenzaldehyde

Benzaldehyde, 2,4,5-trimethoxy-

14374-62-0

NSC 89299

2,4,5-trimethoxy-benzaldehyde

NCI-C61632

MFCD00003312

NDU8J2Q00D

2,4,5-trimethoxylbenzaldehyde

2,4,5-Trimethoxy benzaldehyde

DTXSID1022217

NSC-89299

NCGC00091253-05

SMR000112148

CCRIS 1296

HSDB 4502

EINECS 224-713-3

UNII-NDU8J2Q00D

BRN 1951403

AI3-36671

Acrolein(Propenal)

Spectrum_000818

Spectrum2_000386

Spectrum3_000170

Spectrum4_001759

Spectrum5_000618

2,5-Trimethoxybenzaldehyde

3,6-Trimethoxybenzaldehyde

Asaraldehyde (Asaronaldehyde)

BSPBio_001639

KBioGR_002238

KBioSS_001298

SPECTRUM200208

4-08-00-02715 (Beilstein Handbook Reference)

MLS002473312

MLS002695891

MLS006011864

2,4,5-Trimethoxybenzaldheyde

SCHEMBL333451

SPBio_000571

2,4,5-Trimethoxy-benzaldehyd

3,4, 6-Trimethoxybenzaldehyde

DTXCID702217

CHEMBL1164301

2,4,5-tri-methoxy benzaldehyde

KBio2_001298

KBio2_003866

KBio2_006434

KBio3_001139

CHEBI:113543

Asarylaldehyde, analytical standard

BCPP000436

HMS1922P08

HMS2268O16

HMS3656M12

HMS3884N06

BCP02914

NSC89299

Tox21_400070

BBL011033

CCG-38657

CK2093

s2531

STK802187

2,4,5-Trimethoxybenzaldehyde, 98%

AKOS000119399

AC-4247

BCP9000230

CS-6035

MCULE-7174618286

PS-6109

SDCCGMLS-0066425.P001

NCGC00091253-01

NCGC00091253-02

NCGC00091253-03

NCGC00091253-04

NCGC00091253-06

NCGC00091253-07

TRIMETHOXYBENZALDEHYDE, 2,4,5-

SY015794

2,4,5-Trimethoxybenzaldehyde, 9CI, 8CI

BCP0726000304

CAS-4460-86-0

DB-051236

HY-100580

2,4,5-TRIMETHOXYBENZALDEHYDE [HSDB]

NS00015122

SW219241-1

T1172

EN300-20248

A26620

AP-065/41884113

SR-05000002433

Q-100162

SR-05000002433-1

BRD-K88219015-001-02-5

BRD-K88219015-001-05-8

Q27194435

F2190-0582

Z104477478

2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%

InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H

safrole

94-59-7

Safrol

5-Allyl-1,3-benzodioxole

Shikimole

Shikomol

Sassafras

Safrene

Safrole MF

Shikimol

1,3-Benzodioxole, 5-(2-propenyl)-

Allylcatechol methylene ether

5-(2-Propenyl)-1,3-benzodioxole

m-Allylpyrocatechin methylene ether

4-Allyl-1,2-methylenedioxybenzene

Allylpyrocatechol methylene ether

3,4-(Methylenedioxy)allylbenzene

4-Allylpyrocatechol formaldehyde acetal

5-prop-2-enyl-1,3-benzodioxole

1-Allyl-3,4-methylenedioxybenzene

Allyldioxybenzene methylene ether

RCRA waste number U203

Caswell No. 729

1,2-Methylenedioxy-4-allylbenzene

Benzene, 4-allyl-1,2-(methylenedioxy)-

1,3-Benzodioxole, 5-allyl-

CCRIS 553

NSC 11831

Benzene, 1,2-methylenedioxy-4-allyl-

HSDB 2653

EINECS 202-345-4

EPA Pesticide Chemical Code 097901

UNII-RSB34337V9

BRN 0136380

CHEBI:8994

3,4-methylenedioxy-allylbenzene

3-(3,4-Methylenedioxyphenyl)prop-1-ene

DTXSID0021254

AI3-00514

RSB34337V9

NSC-11831

4-Allyl-1,2-(methylenedioxy)benzene

DTXCID601254

(Allyldioxy)benzene methylene ether

5-19-01-00553 (Beilstein Handbook Reference)

NSC11831

1,2-methylenedioxy-4-allyl-Benzene

1-Allyl-3,4-(methylenedioxy)benzene

(1,2-(Methylenedioxy)-4-allyl)benzene

M-ALLYL PYROCATECHINMETHYLENE ETHER

SAFROLE (IARC)

SAFROLE [IARC]

1,3-Benzodioxole, 5-(2-propen-1-yl)-

3-[(3,4-Methylenedioxy)phenyl]-1-propene

5-(prop-2-en-1-yl)-2H-1,3-benzodioxole

SAFROLE (USP-RS)

SAFROLE [USP-RS]

5-allyl-benzo(1,3)dioxole

5-allyl-benzo[1,3]dioxole

Safroles

Safrols

CAS-94-59-7

[1,2-(Methylenedioxy)-4-allyl]benzene

RCRA waste no. U203

Safrol glass

5-allylbenzo[d][1,3]dioxole

4 Allyl 1,2 methylenedioxybenzene

4-Allyl-1,2-methylenedioxybenzenes

Alda-89

Spectrum_001446

Safrole, >=97%

1, 5-allyl-

SAFROLE [MI]

Spectrum2_000775

Spectrum3_001105

Spectrum4_001939

Spectrum5_000843

5-Allylbenzo[1,3]dioxole

1, 5-(2-propenyl)-

5-allyl-benzo-1,3-dioxole

SCHEMBL56828

BSPBio_002810

KBioGR_002319

KBioSS_001926

MLS001056251

DivK1c_001022

SPECTRUM1503620

SPBio_000850

3,4-Methylenedioxy-allybenzene

Safrole, 10mg/ml in Methanol

CHEMBL242273

5-?Allyl-?1,3-?benzodioxole

SCHEMBL13045858

HMS503M05

KBio1_001022

KBio2_001926

KBio2_004494

KBio2_007062

KBio3_002030

NINDS_001022

HMS1922E22

NCI-C00362

3, 4-(Methylenedioxy)allylbenzene

1-Allyl,3,4-methylenedioxy benzene

Tox21_202439

Tox21_300520

MFCD00005841

1,2-(Methylenedioxy)-4-allylbenzene

WLN: T56 BO DO CHJ G2U1

(E)5-1-Propenyl]-1,3-benzodioxole

AKOS016017163

1, 2-(Methylenedioxy)-4-allylbenzene

4-?Allyl-?1,2-?methylenedioxybenzene

4-Allyl-1, 2-(methylenedioxy)benzene

5-Allyl-1,3-benzodioxolerlet DS Base

CCG-214763

FS-3451

SDCCGMLS-0066708.P001

3-(3,4-methylendioxyphenyl)-1-propene

5-(2-propen-1-yl)-1,3-benzodioxole

IDI1_001022

USEPA/OPP Pesticide Code: 097901

NCGC00091122-01

NCGC00091122-02

NCGC00091122-03

NCGC00091122-04

NCGC00091122-05

NCGC00091122-06

NCGC00091122-07

NCGC00254416-01

NCGC00259988-01

AC-34312

SMR001216599

5-(2-Propenyl)-1,3-benzodioxole, 9CI

4-Allyl-1,2-(methylenedioxy)benzene, 8CI

DB-057512

NS00017606

Q412424

SR-05000002392

Safrole, certified reference material, TraceCERT(R)

SR-05000002392-1

BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE

4-Allyl-1,2-methylenedioxybenzene; 5-Prop-2-enyl-1,3-benzodioxole

InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H

The Henry's Law constant for safrole is estimated as 9.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that safrole 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 5.3 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 42 days(SRC). Safrole's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Safrole is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 0.0706 mm Hg(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) Ohe S; Computer Aided Data Book of Vapor Pressure. Data Book Publ. Co., Tokyo, Japan (1976)

Using a structure estimation method based on molecular connectivity indices(1), the Koc for safrole can be estimated to be 300(SRC). According to a classification scheme(2), this estimated Koc value suggests that safrole is expected to have moderate 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)

eugenol

97-53-0

4-Allyl-2-methoxyphenol

4-Allylguaiacol

Eugenic acid

Allylguaiacol

p-Eugenol

Caryophyllic acid

p-Allylguaiacol

2-Methoxy-4-prop-2-enylphenol

2-Methoxy-4-allylphenol

Phenol, 2-methoxy-4-(2-propenyl)-

Engenol

1,3,4-Eugenol

2-Methoxy-4-(2-propenyl)phenol

5-Allylguaiacol

Synthetic eugenol

1-Hydroxy-2-methoxy-4-allylbenzene

4-Allylcatechol-2-methyl ether

2-Methoxy-1-hydroxy-4-allylbenzene

4-Allyl-1-hydroxy-2-methoxybenzene

bioxeda

1-Hydroxy-2-methoxy-4-prop-2-enylbenzene

2-methoxy-4-(prop-2-en-1-yl)phenol

2-Hydroxy-5-allylanisole

FEMA No. 2467

4-Hydroxy-3-methoxy-1-allylbenzene

4-Hydroxy-3-methoxyallylbenzene

2-Methoxy-4-(2-propen-1-yl)phenol

Eugenol (natural)

Phenol, 4-allyl-2-methoxy-

4-Allylcatechol 2-methyl ether

NCI-C50453

1-allyl-4-hydroxy-3-methoxybenzene

1-Allyl-3-methoxy-4-hydroxybenzene

Caswell No. 456BC

FEMA Number 2467

2-Metoksy-4-allilofenol

CCRIS 306

FA 100

CHEBI:4917

HSDB 210

NSC 209525

Caryophillic acid

NSC-8895

EINECS 202-589-1

Eugenol (USP)

Eugenol [USP]

EPA Pesticide Chemical Code 102701

NSC-209525

UNII-3T8H1794QW

BRN 1366759

DTXSID9020617

Phenol, 2-methoxy-4-(2-propen-1-yl)-

AI3-00086

3T8H1794QW

MFCD00008654

naturel

CHEMBL42710

DTXCID90617

2-Methoxy-4-(3-propenyl)phenol

2-methoxy-4-prop-2-enyl-phenol

EC 202-589-1

3-(3-methoxy-4-hydroxyphenyl)propene

NCGC00091449-05

EUGENOL (IARC)

EUGENOL [IARC]

EUGENOL (II)

EUGENOL [II]

EUGENOL (MART.)

EUGENOL [MART.]

EUGENOL (USP-RS)

EUGENOL [USP-RS]

Eugenol [USAN]

WLN: 1U2R DQ CO1

EUGENOL (EP MONOGRAPH)

EUGENOL [EP MONOGRAPH]

EUGENOL (USP MONOGRAPH)

EUGENOL [USP MONOGRAPH]

CAS-97-53-0

2-Metoksy-4-allilofenol [Polish]

SR-05000002043

allylguaicol

natural

naturale

oogenol

phenylpropanoid

redistillation

Eugenolum

fractionation,

animal feed

water white

Dentek Eugenol

alim ue

fami qs

Teething Gel

ugenol,

eugenic acid,

clove,

Isolate,

US Pharmacopoeia

Eugenol BP

flash distillation

clove oil fraction

Nuby Teething Gel

Eugenol,(S)

1-hydroxy-4-allyl-2-methoxybenzene

Red Cross Toothache

British Pharmacopoeia

clove oil terpeneless

eugenol for synthesis

Eugenol1518

4-allyl-2methoxyphenol

3s0e

EFEUF,

EUGENOL [VANDF]

EUGENOL [FHFI]

EUGENOL [HSDB]

EUGENOL [INCI]

Marshall Toothache Drops

4-allyl 2-methoxyphenol

EUGENOL [FCC]

EUGENOL [MI]

Spectrum2_001264

Spectrum3_000646

Spectrum4_001783

Spectrum5_000425

EUGENOL [WHO-DD]

4-allyl-2-methoxy-Phenol

bmse010053

Epitope ID:114091

Eugenol, puriss., 98%

AnaDent Childrens Kanka Gel

Eugenol Toothache Medication

SCHEMBL20361

BSPBio_002251

KBioGR_002327

MLS000028901

SEUGE0001

BIDD:ER0696

DivK1c_000692

SPECTRUM1500296

SPBio_001228

GTPL2425

HMS502C14

KBio1_000692

KBio3_001471

Eugenol, ReagentPlus(R), 99%

NSC8895

4-(2-Propenyl)-2-methoxyphenol

Eugenol, natural, >=98%, FG

NINDS_000692

Eugenol, >=98%, FCC, FG

HMS1920O08

HMS2091F09

Pharmakon1600-01500296

2-methoxy-4-(2-propenyl)-phenol

HY-N0337

Tox21_111134

Tox21_202040

Tox21_300105

BBL027721

BDBM50164168

CCG-38827

NSC209525

NSC757030

s4706

STL371304

Eugenol, tested according to Ph.Eur.

AKOS000121354

Tox21_111134_1

CS-7807

DB09086

FS-2702

NSC-757030

SDCCGMLS-0066578.P001

IDI1_000692

USEPA/OPP Pesticide Code: 102701

Eugenol 1000 microg/mL in Acetonitrile

NCGC00091449-01

NCGC00091449-02

NCGC00091449-03

NCGC00091449-04

NCGC00091449-06

NCGC00091449-07

NCGC00091449-08

NCGC00091449-10

NCGC00253915-01

NCGC00259589-01

AC-34149

Eugenol, Vetec(TM) reagent grade, 98%

SMR000059114

2-METHOXY-4-(2'-PROPENYL)PHENOL

SBI-0051381.P003

DB-261256

Eugenol, PESTANAL(R), analytical standard

A0232

NS00003629

EN300-16622

D04117

AB00051992_02

A845719

Eugenol, primary pharmaceutical reference standard

Q423357

Eugenol, certified reference material, TraceCERT(R)

Q-201105

SR-05000002043-1

SR-05000002043-2

BRD-K32977963-001-01-9

BRD-K32977963-001-03-5

Z56347226

EUGENOL (CONSTITUENT OF HOLY BASIL LEAF) [DSC]

Eugenol, European Pharmacopoeia (EP) Reference Standard

F0001-2306

2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol

EUGENOL (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]

EUGENOL (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]

Eugenol, United States Pharmacopeia (USP) Reference Standard

Eugenol, Pharmaceutical Secondary Standard; Certified Reference Material

InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H

The Henry's Law constant for eugenol is estimated as 1.92X10-6 atm-cum/mole(SRC) derived from its extrapolated vapor pressure, 0.0221 mm Hg at 25deg C(1), and water solubility, 2460 mg/L at 25 deg C(2). This Henry's Law constant indicates that eugenol is expected to volatilize slowly 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 25 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 183 days(SRC). Eugenol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). A theoretical model of soil volatilization predicts that 4-33% of eugenol applied to a soil surface will volatilize during the first 10 days(4); the fastest volatilization rates occur with lowest soil organic content and moisture content(4). Although eugenol's vapor pressure might suggest that volatilization from dry soil will not occur, the compound is used in fragrance and odorant applications that result in inhalation exposure(SRC); therefore, volatilization from dry soil is expected to occur(SRC).
Literature: (1) Van Roon A et al; Chemosphere 61: 599-609 (2005) (2) Yalkowky SH et al; Handbook of Aqueous Solubility Data 2nd ed., Boca Raton, FL: CRC Press, p. 687(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) Van Roon A et al; Chemosphere 61: 129-138 (2005)

The Koc of eugenol is estimated as 340(SRC), using a log Kow of 2.49(1) and a regression-derived equation(2). According to a classification scheme(3), these estimated Koc values suggest that eugenol is expected to have moderate to lowmobility in soil.
Literature: (1) Dias NC et al; Analyst 128: 427-433 (2003) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011.Available from, as of Jun 26, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)

toluene

methylbenzene

108-88-3

toluol

Phenylmethane

methacide

methylbenzol

Benzene, methyl-

antisal 1a

Toluen

tolu-sol

Methane, phenyl-

Tolueen

Toluolo

phenyl methane

1-Methylbenzene

monomethyl benzene

RCRA waste number U220

Tolueno

methyl-Benzene

Caswell No. 859

p-toluene

NCI-C07272

CP 25

CCRIS 2366

HSDB 131

NSC 406333

UN 1294

4-methylbenzene

Benzene, methyl

EINECS 203-625-9

UNII-3FPU23BG52

EPA Pesticide Chemical Code 080601

NSC-406333

3FPU23BG52

DTXSID7021360

CHEBI:17578

AI3-02261

TOLUENE (RING-D5)

CHEMBL9113

DTXCID501360

EC 203-625-9

Toluene, anhydrous

MFCD00008512

NCGC00090939-02

TOLUENE (IARC)

TOLUENE [IARC]

TOLUENE (MART.)

TOLUENE [MART.]

TOLUENE (USP-RS)

TOLUENE [USP-RS]

Tolueen [Dutch]

Toluen [Czech]

Toluene, analytical standard

Tolueno [Spanish]

Toluolo [Italian]

methyl benzene

para-toluene

Methyl benzol

Toluene, ACS reagent, >=99.5%

Toluene 1000 microg/mL in Methanol

CAS-108-88-3

RAMIPRIL IMPURITY G (EP IMPURITY)

RAMIPRIL IMPURITY G [EP IMPURITY]

PHME

UN1294

RCRA waste no. U220

methylbenzenes

Dracyl

phenyl-methane

toluene solvent

2-methylbenzene

toluene-

Methylbenzene; Toluene; Ramipril Imp. G (EP); Ramipril Impurity G

MePh

2-methyl benzene

4-methyl-benzene

Toluene ACS Grade

Toluene HPLC grade

Methylbenzene, 9CI

Toluene (Technical)

Toluene, for HPLC

PhCH3

Toluene, ACS reagent

Toluene, HPLC Grade

4i7k

TOLUENE [HSDB]

TOLUENE [INCI]

Toluene, 99.5%

TOLUENE [MI]

CP 25 (SOLVENT)

Toluene, Environmental Grade

Toluene, Semiconductor Grade

Toluene, LR, >=99%

C6H5CH3

TOLUENE [GREEN BOOK]

WLN: 1R

BIDD:ER0288

Toluene, anhydrous, 99.8%

Toluene, ASTM, 99.5%

Toluene, p.a., 99.5%

GTPL5481

Toluene, AR, >=99.5%

Toluene, for HPLC, 99.9%

Toluene, LR, rectified, 99%

CHEBI:38975

DTXSID00184990

DTXSID50175878

Toluene, HPLC grade, 99.8%

Toluene, Spectrophotometric Grade

Toluene 10 microg/mL in Methanol

Toluene, LR, sulfur free, 99%

Toluene, AR, rectified, 99.5%

Toluene, technical grade, 95.0%

BCP16202

Toluene, for HPLC, >=99.8%

Toluene, for HPLC, >=99.9%

Toluene, histology grade, practical

Toluene, PRA grade, >=99.8%

Toluene 100 microg/mL in Methanol

Tox21_111042

Tox21_201224

BDBM50008558

NSC406333

Toluene, purification grade, 99.8%

AKOS015840411

DB11558

MCULE-4817136027

Toluene, anhydrous, (water < 50ppm)

Toluene, puriss., >=99.5% (GC)

Toluene, SAJ first grade, >=99.0%

NCGC00090939-01

NCGC00090939-03

NCGC00258776-01

Toluene [UN1294] [Flammable liquid]

Toluene, JIS special grade, >=99.5%

Toluene, Laboratory Reagent, >=99.3%

Toluene, for HPLC, >=99.7% (GC)

Toluene, UV HPLC spectroscopic, 99.5%

Toluene, anhydrous, ZerO2(TM), 99.8%

DB-309420

NS00008096

T0260

Toluene, suitable for determination of dioxins

C01455

Q15779

Toluene, suitable for scintillation, >=99.7%

Toluene liquid density, NIST(R) SRM(R) 211d

A801937

SR-01000944565

Toluene, ACS spectrophotometric grade, >=99.5%

SR-01000944565-1

Toluene, p.a., ACS reagent, reag. ISO, 99.5%

InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H

D5191 Vapor Pressure - 7.1kPa (1.03 psi), 10 x 10 mL

Toluene, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%

Toluene, absolute, over molecular sieve (H2O <=0.005%), >=99.7% (GC)

Toluene, Pharmaceutical Secondary Standard; Certified Reference Material

Residual Solvent - Toluene, Pharmaceutical Secondary Standard; Certified Reference Material

Toluene, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.7% (GC)

25013-04-1

The Henry's Law constant for toluene is 6.64X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that toluene is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 2.9 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 3.8 days(SRC). Toluene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Toluene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 28.4 mm Hg(3). The air-water interface equilibrium partitioning coefficient for toluene, at a concentration of 0.47 mg/L, has been reported to be 0.223, 0.226, 0.273, and 0.336 at 26.9, 31.9, 36.9, and 41.9 deg C, respectively(4). A first-order volatilization rate calculated for toluene from water using an inverse reactive simulation was reported as 6.62X10-6/sec(5). The volatilization half-life of toluene from a water column of one meter depth was estimated to be 5.18 hours(6). Toluene was reported to have a disappearance half-life of <2 days due to volatilization in two different soil types, a Captina silt loam and a McLaurin sandy loam(7).
Literature: (1) Mackay D et al; Environ Sci Technol 13: 333-6 (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. Washington, DC: Taylor and Francis (1989) (4) Cheng W-H et al; Atmos Environ 37: 4807-4815 (2003) (5) Keefe SH et al; Environ Sci Technol 38: 2209-2216 (2004) (6) Mackay D, Leinonen PJ; Environ Sci Technol 9: 1178-80 (1975) (7) Anderson TA et al; J Environ Qual 20:420-4 (1991)

The Koc of toluene was reported as 178 in a sandy soil(1) and as 37 (Wendover silty loam), 160 (Grimsby silt loam), 160 (Vaudreil sandy loam) and 46 (sandy soil)(2). The Koc of toluene in lake sediment was measured as 166(3). According to a classification scheme(4), these measured Koc values suggest that toluene is expected to have high to moderate mobility in soil.
Literature: (1) Wilson JT et al; J Environ Qual 10: 501-6 (1981) (2) Nathwani JS, Phillips CR; Chemosphere 6: 157-62 (1977) (3) Kan AT et al; Environ Sci Technol 32: 892-902 (1998) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #In association with clay minerals, toluene's adsorption is inversely proportional to the pH of the soil. Approximately 40-70% of toluene applied to the surface of sandy soils is volatilized.
Literature: IARC. Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans. Geneva: World Health Organization, International Agency for Research on Cancer, 1972-PRESENT. (Multivolume work). Available at: http://monographs.iarc.fr/ENG/Classification/index.php, p. V47: 90 (1989)

camphor

76-22-2

2-Camphanone

DL-Camphor

2-Bornanone

(+/-)-Camphor

1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one

Bornan-2-one

(+)-Camphor

Alphanon

Kampfer

21368-68-3

Formosa camphor

Laurel camphor

Matricaria camphor

Camphor, synthetic

Bornane, 2-oxo-

1,7,7-Trimethylnorcamphor

464-48-2

Japan camphor

2-Camphonone

Huile de camphre

2-Kamfanon

l-(-)-Camphor

2-Keto-1,7,7-trimethylnorcamphane

1,7,7-Trimethylbicyclo[2.2.1]-2-heptanone

D-(+)-Camphor

Norcamphor, 1,7,7-trimethyl-

DTXSID5030955

CHEBI:36773

4,7,7-trimethylbicyclo[2.2.1]heptan-3-one

DL-Bornan-2-one

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-

Caswell No. 155

SYNTHETIC CAMPHOR

DTXCID3010955

1,7,7-Trimethylbicyclo(2.2.1)-2-heptanone

1,7,7-Trimethylbicyclo(2.2.1)heptan-2-one

Zang Qi

HSDB 37

(-)-Alcanfor

MFCD00074738

( inverted exclamation markA)-Camphor

Camphor, (1R,4R)-(+)-

Camphor, (+/-)-

EINECS 200-945-0

EINECS 244-350-4

UNII-5TJD82A1ET

EPA Pesticide Chemical Code 015602

BRN 1907611

BRN 3196099

AI3-18783

(1RS,4RS)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one

Formosa

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (.+/-.)-

Camphor (USP)

EC 200-945-0

0-07-00-00135 (Beilstein Handbook Reference)

4-07-00-00213 (Beilstein Handbook Reference)

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-

racemic camphor

NSC26351

DisperseYellow3

MFCD00064149

Camphor, natural

DL-2-Bornanone

8008-51-3

()-Camphor

Heet (Salt/Mix)

Sarna (Salt/Mix)

(?)-Camphor

dl-Camphor (JP17)

(.+/-.)-Camphor

SCHEMBL16068

Camphor, (.+/-.)-

MLS001055495

CHEMBL15768

DivK1c_000724

GTPL2422

HMS502E06

KBio1_000724

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S)-

NINDS_000724

HMS2268A06

HMS3885J06

HY-N0808

Tox21_200237

BBL012963

s3851

s4516

STK803534

AKOS000118728

AKOS022060577

AC-5284

CCG-266237

CCG-266238

DB14156

LMPR0102120001

MCULE-2476865084

UN 2717

CAS-76-22-2

IDI1_000724

USEPA/OPP Pesticide Code: 015602

NCGC00090681-05

NCGC00090730-01

NCGC00090730-02

NCGC00090730-05

NCGC00257791-01

1ST40229

AC-15523

SMR000386909

SY035827

VS-03622

(1R,4R)-1,7,7-trimethylnorbornan-2-one

DB-051377

DB-056037

DB-070734

C1251

CS-0009813

NS00003762

4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone

EN300-19186

1,7,7-trimethyl-bicyclo[2.2.1]heptan-6-one

C00809

C18369

D00098

E75814

1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-one

A838646

Q181559

Q-200784

W-109539

W-110530

(+/-)-1,7,7-trimethyl-bicyclo[2,2,1]heptane-2-one

F0001-0763

Z104473074

The Henry's Law constant for camphor is estimated as 8.3X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.65 mm Hg(1), and water solubility, 1.570X10+3 mg/L(2). This Henry's Law constant indicates that camphor 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)(3) is estimated as 17 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 9 days(SRC). Camphor's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Camphor is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AH; J Chem Eng Data 5: 196-200 (1960) (2) Yalkowky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 721 (2010) (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 camphor can be estimated to be 117(SRC). According to a classification scheme(2), this estimated Koc value suggests that camphor is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of May 21, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

cis-Methylisoeugenol

6380-24-1

cis-Methyl isoeugenol

(Z)-Methylisoeugenol

Isoeugenyl methyl ether

Methylisoeugenol, (Z)-

cis-4-Propenyl veratrole

Methyl isoeugenol

O-Methylisoeugenol

Isoeugenol methyl ether

(Z)-methyl isoeugenol

1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene

Benzene, 1,2-dimethoxy-4-(1-propenyl)-, (Z)-

64DPK8DS6F

1,3,4-Isoeugenol methyl ether

4-Prop-1-enylveratrole

1,2-Dimethoxy-4-propenylbenzene

4-Propenyl-1,2-dimethoxybenzene

Benzene, 1,2-dimethoxy-4-propenyl-, (Z)-

CHEBI:50550

1-(3,4-Dimethoxyphenyl)-1-propene

NSC 46111

1-Propene, 1-(3,4-dimethoxyphenyl)-

1,2-dimethoxy-4-[(1Z)-prop-1-en-1-yl]benzene

4-Propenyl veratrole

1,2-DIMETHOXY-4-(1-PROPENYL)BENZENE

cis-isomethyleugenol

FEMA No. 2476

Benzene, 1,2-dimethoxy-4-(1-propen-1-yl)-

3,4-Dimethoxypropenylbenzene (VAN)

EINECS 202-224-6

UNII-64DPK8DS6F

BRN 0880472

UNII-46RN7Q97DE

1,2-Dimethoxy-4-(1-propen-1-yl)benzene

AI3-20967

isoeugenylmethylether

(e)-methyl eugenol

BRN 1911284

trans-Methyl isoeugenol

cis-isoeugenolmethylether

4-(1-Propenyl)veratrole

cis-isoeugenol methyl ether

ghl.PD_Mitscher_leg0.375

2-06-00-00918 (Beilstein Handbook Reference)

3-06-00-04995 (Beilstein Handbook Reference)

(Z)-O-METHYLISOEUGENOL

4-CIS-PROPENYLVERATROLE

46RN7Q97DE

SCHEMBL1760676

CHEMBL1164609

FEMA 2476

DTXSID101026531

1,2-Dimethoxy-4-propenyl-Benzene

HY-N3591

FEMA NO. 2476, Z-

ISOEUGENYL METHYL ETHER, CIS-

1,2-dimethoxy-4-cis-propenyl-benzene

AKOS025287899

FS-8909

VERATROLE, 4-PROPENYL-, CIS-

1,2-Dimethoxy-4-propenyl-(E)-Benzene

1ST14251

1,2-Dimethoxy-4-(1-propenyl)benzene, 9CI

CS-0023905

(Z)-3,4-DIMETHOXY-.BETA.-METHYLSTYRENE

1,2-DIMETHOXY-4-(1-CIS-PROPENYL)BENZENE

Q27122111

BENZENE, 1,2-DIMETHOXY-4-(1Z)-1-PROPEN-1-YL-

Eucalyptol

cineole

1,8-Cineole

470-82-6

1,8-Cineol

Cajeputol

1,8-Epoxy-p-menthane

Eucalyptole

Eucapur

Zineol

Terpan

p-Cineole

1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane

1,8-Oxido-p-menthane

Eukalyptol

CINEOL

Cucalyptol

Soledum

8000-48-4

p-Menthane, 1,8-epoxy-

Eukalyptol [Czech]

Eucalyptol (natural)

FEMA No. 2465

2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-

Cineole (VAN)

Eucaly

NCI-C56575

NSC-6171

2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-

1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane

2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane

NSC6171

NSC 6171

RV6J6604TK

DTXSID4020616

CHEBI:27961

2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane

MFCD00167977

DTXCID60616

CNL

4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane

Eucalyptol [USAN]

NCGC00091666-01

NCGC00091666-04

EUCALYPTOL (II)

EUCALYPTOL [II]

CINEOLE (MART.)

CINEOLE [MART.]

EUCALYPTOL (USP-RS)

EUCALYPTOL [USP-RS]

CINEOLE (EP MONOGRAPH)

CINEOLE [EP MONOGRAPH]

(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

EUCALYPTOL (USP IMPURITY)

EUCALYPTOL [USP IMPURITY]

EUCALYPTOL (USP MONOGRAPH)

EUCALYPTOL [USP MONOGRAPH]

Eucalyptol 1000 ug/mL in Methanol

UNII-RV6J6604TK

CAS-470-82-6

SMR000471853

1,8 Cineole

CCRIS 3727

HSDB 991

Cineole (Eucalyptol)

1,8 Cineol

1,8 Epoxy p menthane

Eucalyptol [USAN:USP]

EINECS 207-431-5

cineoles

Rosatra

Terpane

Cyneol

BIDD:ER0481

AI3-00578

2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane

Eucalyptol,(S)

Germ Free ARIA

Eucalyptol (USP)

1.8-cineole

1_8_cineole

Eucalyptol, 99%

Eucalyptol, Ph Helv

p-Menthane,8-epoxy-

1,8-Oxido-p-methane

EUCALYPTOL [MI]

WLN: T66 A B AOTJ B1 B1 F1

CINEOLE [INCI]

EUCALYPTOL [FCC]

Spectrum2_000221

Spectrum3_000683

Spectrum4_001747

Spectrum5_000704

EUCALYPTOL [FHFI]

EUCALYPTOL [HPUS]

EUCALYPTOL [HSDB]

EUCALYPTOL [INCI]

CINEOLE [WHO-DD]

EUCALYPTOL [VANDF]

bmse000523

EC 207-431-5

SCHEMBL19622

SCHEMBL41020

BSPBio_002405

KBioGR_002194

MLS001050089

MLS001066338

DivK1c_000333

SPECTRUM1500294

SPBio_000261

Eucalyptol, analytical standard

CHEMBL485259

GTPL2464

CHEMBL1231862

CHEMBL1397305

SCHEMBL13554591

SCHEMBL17836873

SCHEMBL23876132

CHEBI:23243

HMS501A15

KBio1_000333

KBio3_001625

NINDS_000333

P-METHANE, 1,8-EPOXY-

HMS2271P04

Pharmakon1600-01500294

HY-N0066

Tox21_111161

Tox21_202090

Tox21_302902

BDBM50459887

CCG-36080

NSC760388

AKOS015903223

AKOS016034339

AKOS037514637

Tox21_111161_1

CCG-266254

CS-8146

DB03852

LMPR0102090019

NSC-760388

Eucalyptol 1000 microg/mL in Methanol

IDI1_000333

Eucalyptol, tested according to Ph.Eur.

NCGC00091666-02

NCGC00091666-03

NCGC00091666-05

NCGC00095774-01

NCGC00178671-01

NCGC00256479-01

NCGC00259639-01

NCGC00389703-01

AC-20234

Eucalyptol, natural, >=99%, FCC, FG

LS-13868

NCI60_005108

1,3-Trimethyl-2-oxabicyclo[2.2.2]octane

2-Oxa-1,3-trimethylbicyclo[2.2.2]octane

DB-070775

2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-

NS00002794

Rosatra Synergyfor treatment of Acne Rosacea

C09844

D04115

AB01563262_01

Q161572

SR-01000763816

SR-01000763816-2

W-106080

1,8-Cineole, primary pharmaceutical reference standard

1,3,3-TRIMETHYL-2-OXABICYCLO(2.2.2.)OCTANE

Cineole, European Pharmacopoeia (EP) Reference Standard

Eucalyptol, certified reference material, TraceCERT(R)

F0001-1260

Eucalyptol, United States Pharmacopeia (USP) Reference Standard

Eucalyptol (cineole), Pharmaceutical Secondary Standard; Certified Reference Material

InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H

The Henry's Law constant for 1,8-cineole is estimated as 1.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 1.90 mm Hg(1), and water solubility, 3.5X10+3 mg/L(2). This Henry's Law constant indicates that cineole 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)(3) is estimated as 13 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 8 days(SRC). 1,8-Cineole's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,8-cineole from dry soil surfaces may exist(SRC) based upon the vapor pressure(1).
Literature: (1) Riddick JA et al, eds; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. New York, NY: John Wiley and Sons, (1985) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 730 (2010) (3) 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 1,8-cineole is estimated as 220(SRC), using a log Kow of 2.74(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,8-cineole is expected to have moderate mobility in soil. In soil infiltration studies using secondary effluent from Fort Polk, LA collected Nov 4-5 1980, 1,8-cineole, present at 0.091 ug/L, was not detected in column fluid effluents on the second inundation cycle(4).
Literature: (1) Griffin S et al; J Chromatogr 864: 221-28 (1999) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 20, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Hutchins SR et al; Environ Toxicol Chem 2: 195-216 (1983)

Caryophyllene oxide

(-)-Caryophyllene oxide

1139-30-6

beta-Caryophyllene oxide

beta-Caryophyllene epoxide

(-)-Epoxycaryophyllene

Epoxycaryophyllene

trans-caryophyllene oxide

(-)Carophyllene oxide

UNII-S2XU9K448U

(-)-Epoxydihydrocaryophyllene

S2XU9K448U

Caryophylene oxide

HSDB 5466

EINECS 214-519-7

MFCD00134216

(-)-BETA-CARYOPHYLLENE EPOXIDE

CARYOPHYLLENE, EPOXIDE

CHEMBL508894

DTXSID4051586

FEMA NO. 4085

CHEBI:67818

4,11,11-Trimethyl-8-methylene-5-oxatricyclo(8.2.0.0(4,6))dodecane

.beta.-Caryophyllene oxide

(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane

4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane, (1R,4R,6R,10S)-

5-Oxatricyclo(8.2.0.0(4,6))dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-

Caryophyllene Oxide 1000 microg/mL in Isopropanol

epoxide

(-)-.beta.-Caryophyllene epoxide

4-12,12-TRIMETHYL-9-METHYLENE-5-OXATRICYLO (8.2.0.04,6) DODECANE

(1R,4R,6R,10S)-4,12,12-TRIMETHYL-9-METHYLIDENE-5-OXATRICYCLO[8.2.0.0?,?]DODECANE

5-Oxatricyclo(8.2.0.04,6)dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-

[1R-(1R*,4R*,6R*,10S*)]-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane

5-Oxatricyclo(8.2.0.0(sup 4,6))dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)-

5-OXATRICYCLO(8.2.0.04,6)DODECANE, 4,12,12-TRIMETHYL-9-METHYLENE-, (1R-(1R*,4R*,6R*,10S*))-

ambar crystal

bcp oxide

(1R-(1R*,4R*,6R*,10S*))-4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane

?-caryophyllene oxide

b-Caryophyllene Epoxide

trimethyl(methylene)[?]

Caryophyllene Oxide 90001

SCHEMBL127077

DTXCID8030138

(-)-Caryophyllene oxide, 95%

NVEQFIOZRFFVFW-RGCMKSIDSA-N

4,12,12-trimethyl-9-methylene-

4beta,5alpha-EPOXYCARYOPHYLLENE

HY-N3544

Tox21_303807

BDBM50241720

CARYOPHYLLENE 4beta,5alpha-OXIDE

s3983

AKOS030241571

CARYOPHYLLENE 4beta,5alpha-EPOXIDE

CCG-208462

(1R,4R,6R,10S)-9-Methylene-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecane

NCGC00357089-01

AS-58060

BETA-CARYOPHYLLENE EPOXIDE, (-)-

.BETA.-CARYOPHYLLENE OXIDE [FHFI]

CAS-1139-30-6

4.BETA.,5.ALPHA.-EPOXYCARYOPHYLLENE

CS-0023810

CARYOPHYLLENE 4.BETA.,5.ALPHA.-OXIDE

(-)-BETA-CARYOPHYLLENE EPOXIDE [HSDB]

C16908

CARYOPHYLLENE 4.BETA.,5.ALPHA.-EPOXIDE

E80731

SR-05000002236

SR-05000002236-2

W-108611

(-)-Caryophyllene oxide, analytical reference material

(1R,4R,5R,9S)-4,5-epoxycaryophyllan-8(13)-ene

Q27136294

inverted exclamation markY99.0% (sum of enantiomers, GC)

(-)-Caryophyllene oxide, >=99.0% (sum of enantiomers, GC)

(1R,4R,6R,10S)- 5-Oxatricyclo[8.2.0.0(4,6)-]dodecane

4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0~4,6~]dodecane

(-)-5-Oxatricyclo[8.2.0.0(4,6)]dodecane,4,12,12-trimethyl-9-methylene-

(1R,4R,6R,10S)-4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane

(1R,4R,6R,10S)-9-Methylene-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0(4,6])dodecane

(1R,4R,6R,10S)- 4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.]dodecane (caryophyllene oxide) 5-Oxatricyclo(8.2.0.0(4,6))dodecane

[1R-(1R*,4R*,6R*,10S*)]- (-)-Epoxydihydrocaryophyllene (-)-<>-Caryophyllene epoxide (-)-<>-Caryophyllene oxide 4,11,11-Trimethyl-8-methylene-5-oxatr

[1R-(1R*,4R*,6R*,10S*)]- Caryophylene oxide Caryophyllene epoxide Caryophyllene oxyde Epoxycaryophyllene [1R-(1R*,4R*,6R*,10S*)]-4,12,12-trimethyl-9-methylene-5

5-OXATRICYCLO(8.2.0.0(4,6))DODECANE, 4,12,12-TRIMETHYL-9-METHYLENE-, (1R-(1R*,4R*,6R*,10S*))-

5-OXATRICYCLO(8.20.0(4,6))DODECANE, 4,12,12-TRIMETHYL-9-METHYLENE-, (1R,4R,6R,10S)-

Spathulenol

6750-60-3

espatulenol

(+)-Spathulenol

Spatulenol

UNII-7XV9L96SJJ

7XV9L96SJJ

spathulenol,(+)-spathulenol,espatulenol

CHEBI:132824

1H-CYCLOPROP(E)AZULEN-7-OL, DECAHYDRO-1,1,7-TRIMETHYL-4-METHYLENE-

1H-CYCLOPROP(E)AZULEN-7-OL, DECAHYDRO-1,1,7-TRIMETHYL-4-METHYLENE-, (1AR,4AR,7S,7AR,7BR)-

Spathulenol?

(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidenedecahydro-1H-cyclopropa(e)azulen-7-ol

(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidenedecahydro-1H-cyclopropa[e]azulen-7-ol

(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

1H-Cycloprop(e)azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, (1aR-(1aalpha,4aalpha,7beta,7abeta,7balpha))-

SCHEMBL309962

CHEMBL518542

HY-N1205

AKOS037515399

MS-23227

CS-0016592

F82083

Q1376658

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)

4-Carvomenthenol

Terpinen-4-ol

562-74-3

4-Terpineol

p-Menth-1-en-4-ol

1-Terpinen-4-ol

Terpinenol-4

1-p-Menthen-4-ol

Terpene-4-ol

1-Menthene-4-ol

TERPINENE-4-OL

1-para-Menthen-4-ol

3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-

rac Terpinen-4-ol

(+-)-p-Menth-1-en-4-ol

(+/-)-Terpinen-4-ol

Terpinenolu-4

Terpineol-4

4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol

dl-4-Terpineol

FEMA No. 2248

Terpinine-4-ol

(+/-)-4-Terpineol

para-Menth-1-en-4-ol

4-Carvomenthenol (natural)

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

4-Methyl-1-isopropyl-3-cyclohexen-1-ol

Terpin-4-en-1-ol

CCRIS 9067

NSC 147749

4-methyl-1-propan-2-ylcyclohex-3-en-1-ol

EINECS 209-235-5

EINECS 248-910-9

UNII-L65MV77ZG6

4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol

alpha-terpinen-4-ol

BRN 1906603

L65MV77ZG6

1-isopropyl-4-methylcyclohex-3-en-1-ol

CHEBI:78884

NSC-147749

DTXSID4044824

HSDB 8264

(1)-1-(Isopropyl)-4-methylcyclohex-3-en-1-ol

4-06-00-00250 (Beilstein Handbook Reference)

4-TERPINEOL, (+/-)-

TERPINEN-4-OL,(+/-)-

MFCD00001562

1-(ISOPROPYL)-4-METHYLCYCLOHEX-3-EN-1-OL

METHYL-1-(1-METHYLETHYL)-3-CYCLOHEXEN-1-OL

L-4-terpineneol

L-4-terpineol

L-terpinen-4-ol

Terpinenolu-4 [Czech]

(+/-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol

Origanol

Terpinen 4-ol

1-isopropyl-4-methylcyclohex-3-enol

(-)-1-Isopropyl-4-methyl-3-cyclohexen-1-ol

alpha -Terpinen-4-ol

1-Isopropyl-4-methyl-3-cyclohexen-1-ol, (R)-

1-isopropyl-4-methyl-cyclohex-3-en-1-ol

4-TERPINEOL [INCI]

SCHEMBL22344

TERPINEN-4-OL [FCC]

(-)-p-Menth-1-en-4-ol

CHEMBL507795

4-CARVOMENTHENOL [FHFI]

DTXCID2024824

FEMA 2248

(+/-)-p-Menth-1-en-4-ol

Tox21_301785

AC1341

NSC147749

s6118

AKOS015903412

CS-W018032

DB12816

HY-W017316

MCULE-6511194668

SB44714

4-Carvomenthenol, >=95%, FCC, FG

NCGC00256250-01

1-Isopropyl-4-methyl-3-cyclohexen-1-ol

4-Carvomenthenol, natural, >=95%, FG

AS-56462

CAS-562-74-3

SY012857

DB-066063

DB-234185

M0319

NS00013199

T1993

C17073

A918559

Q416114

(-)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene

(+/-)-4-Hydroxy-4-isopropyl-1-methyl-1-cyclohexene

Terpinen 4-ol, primary pharmaceutical reference standard

The Henry's Law constant for 4-terpineol is estimated as 3.2X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-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 15 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 110 days(SRC). 4-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.04 mm Hg(SRC), determined from a fragment constant method(1).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

In water, 3.87X10+2 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 4-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that 4-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 July 22, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Methyl eugenol

METHYLEUGENOL

93-15-2

4-Allyl-1,2-dimethoxybenzene

Eugenol methyl ether

4-Allylveratrole

O-Methyleugenol

Eugenyl methyl ether

Methyl eugenol ether

Veratrole methyl ether

Methyl eugenyl ether

1,2-Dimethoxy-4-(2-propenyl)benzene

Benzene, 1,2-dimethoxy-4-(2-propenyl)-

1-Allyl-3,4-dimethoxybenzene

3,4-Dimethoxyallylbenzene

1,2-dimethoxy-4-prop-2-enylbenzene

Benzene, 4-allyl-1,2-dimethoxy-

1,3,4-Eugenol methyl ether

1,2-Dimethoxy-4-allylbenzene

1-(3,4-Dimethoxyphenyl)-2-propene

3-(3,4-dimethoxyphenyl)-1-propene

ENT 21040

FEMA No. 2475

4-allyl-1,2-dimethoxy-benzene

Eugenol methyl

NSC 209528

4-Allyl-1,2-dimethyoxybenzene

1,2-Dimethoxy-4-(2-propen-1-yl)benzene

1,2-dimethoxy-4-(prop-2-en-1-yl)benzene

MFCD00008652

29T9VA6R7M

CHEBI:4918

DTXSID5025607

Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-

NSC-8900

NSC-209528

Benzene, 4-(2-propenyl)-1,2-dimethoxy

1,4-Eugenol methyl ether

O-Methyl eugenol

DTXCID505607

WLN: 1U2R CO1 DO1

TRIDEUTEROMETHYL EUGENOL

Allylveratrol

Caswell No. 579AB

FEMA Number 2475

Benzene,2-dimethoxy-4-(2-propenyl)-

CAS-93-15-2

SMR000112378

CCRIS 746

HSDB 4504

o-Methyl eugenol ether

EINECS 202-223-0

EPA Pesticide Chemical Code 203900

BRN 1910871

UNII-29T9VA6R7M

AI3-21040

Methyleugenol,(S)

methyl ester eugenol

Eugenol-methyl ether

METHYLCHAVIBETOL

METHYLEUGENOL [MI]

EC 202-223-0

Allyl-1,2-dimethoxybenzene

METHYLEUGENOL [HSDB]

METHYLEUGENOL [IARC]

METHYL EUGENOL [FCC]

VERATROLE, 4-ALLYL-

MLS001065600

MLS001333205

MLS001333206

CHAVIBETOL METHYL ETHER

METHYL EUGENOL [INCI]

SCHEMBL113794

CHEMBL108861

1,2-Dimethoxy-4-allyl benzene

4-Allyl-1, 2-dimethoxybenzene

SCHEMBL10108224

FEMA 2475

Methyl eugenol, >=98%, FCC

NSC8900

HMS2269M09

HMS3886M22

Methyl eugenol, analytical standard

EUGENYL METHYL ETHER [FHFI]

HY-N6996

Tox21_202347

Tox21_300071

BBL027720

BDBM50379791

ENT-21040

NSC209528

STK801819

4-Allyl-1,2-dimethoxybenzene, 99%

AKOS015838877

1-(3, 4-Dimethoxyphenyl)-2-propene

CS-W017325

Dimethoxy-4-(prop-2-en-1-yl)benzene

1, 2-Dimethoxy-4-(2-propenyl)benzene

NCGC00091474-01

NCGC00091474-02

NCGC00091474-03

NCGC00091474-04

NCGC00254085-01

NCGC00259896-01

AC-34351

AS-14807

DB-002806

D1360

NS00009255

S5755

E80630

EN300-698375

Q419829

W-100251

Z1255398904

METHYLEUGENOL (CONSTITUENT OF HOLY BASIL LEAF) [DSC]

The Henry's Law constant for methyleugenol is estimated as 5.6X10-6 atm-cu m/mole(SRC) derived from its extrapolated vapor pressure, 0.012 mm Hg(1), and water solubility, 500 mg/L(2). This Henry's Law constant indicates that methyleugenol 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)(3) is estimated as 9 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 69 days(SRC). Methyleugenol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyleugenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data; NY,NY: McGraw-Hill 6th ed (1984) (2) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center ISBN 4-89074-101-1 (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #Methyleugenol dissipates rapidly from both soil and water(1). At 32 deg C, 98% of methyleugenol was lost within 96 hours; 77 and 81% were lost from water and soil, respectively, after 96 hours at 22 deg C(1). These values correspond to a half-life of 6 hours in soil and water at 32 deg C, and half-lives of 16 and 34 hours in soil and water, respectively, at 22 deg C(1).
Literature: (1) Shaver TN, Bull DL; Bull Environ Contam Toxicol 24: 619-26 (1980)

The Koc of methyleugenol is estimated as 140(SRC), using a water solubility of 500 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyleugenol is expected to have high mobility in soil. However, the compound was immobile in silty loam, Lufkin fine sandy loam, Houston clay, and Brazos river bottom sand using soil thin layer chromatography(4).
Literature: (1) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Shaver TN; Arch Environ Contam Toxicol 13: 335-40 (1984)

TRIACONTANE

n-Triacontane

638-68-6

CHEBI:31006

UNII-47A73V7096

EINECS 211-349-5

NSC 158661

NSC-158661

47A73V7096

DTXSID0060935

HSDB 8360

MFCD00009410

Triacontane, analytical standard

CH3-(CH2)28-CH3

CH3-[CH2]28-CH3

Triacontane; NSC 158661; n-Triacontane

Triacontane, 98%

n-Triacontane 100 microg/mL in Hexane

CHEMBL1482375

DTXCID9044110

LMFA11000588

N-C-30

NSC158661

STL564700

AKOS024257521

MCULE-1742110241

NCGC00165977-01

AS-48050

DB-054569

CS-0204888

NS00010795

T0594

F17598

Q151058

A387C655-6236-4AC5-80E3-45EDC0B765D1

The Henry's Law constant for triacontane is estimated as 1530 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that triacontane 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 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 8.1 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). Triacontane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Triacontane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 2.73X10-11 mm Hg at 25 deg C(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 21, 2016: http://www2.epa.gov/tsca-screening-tools (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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)

In water, 5.04X10-11 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. 3-514
Literature: #Soluble in ether; slightly soluble in ethanol; 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. 3-514

Using a structure estimation method based on molecular connectivity indices(1), the Koc of triacontane can be estimated to be 2.4X10+8(SRC). According to a classification scheme(2), this estimated Koc value suggests that triacontane 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 21, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

3-METHYLHEXANE

589-34-4

Hexane, 3-methyl-

2-Ethylpentane

1J3ZK6L6VY

DTXSID3044334

NSC-73937

3-methyl hexane

70024-92-9

UNII-1J3ZK6L6VY

3-Methyl-hexane

NSC73937

EINECS 209-643-3

NSC 73937

3-Methylhexane, 99%

(S)-(+)-3-methylhexane

CHEMBL31377

Hexane, 3-methyl-, (S)-

DTXCID308974

(+/-)-3-METHYLHEXANE

CHEBI:143848

Tox21_202850

MFCD00009408

AKOS015841881

NCGC00260396-01

CAS-589-34-4

3-Methylhexane, purum, >=98.0% (GC)

DB-053287

M0340

NS00020434

NS00090907

D91320

Q223103

3-Methylhexane; (+/-)-3-Methylhexane; 2-Ethylpentane; NSC 73937

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)