2-ETHYLPHENOL

90-00-6

o-Ethylphenol

Phlorol

Phenol, o-ethyl-

Phenol, 2-ethyl-

ETHYLPHENOL

1-Ethyl-2-hydroxybenzene

1-Hydroxy-2-ethylbenzene

Phenol, ethyl-

Florol

o-Ethyl phenol

2-Ethyl-phenol

25429-37-2

NSC 10112

o-Hydroxyethylbenzene

MFCD00002249

DTXSID1022479

CHEBI:34275

355O0P4JU7

NSC-10112

Florol [Czech]

DTXCID702479

CAS-90-00-6

Benzene, 1-ethyl-2-hydroxy-

CCRIS 6038

HSDB 5267

EINECS 201-958-4

BRN 1099397

UNII-C27Y543KVA

UNII-355O0P4JU7

2-ethyl phenol

2-Ethylphenol, 99%

2-ETHYLPHENOL [MI]

SCHEMBL51108

4-06-00-03011 (Beilstein Handbook Reference)

BIDD:ER0661

C27Y543KVA

CHEMBL321029

SGCUT00114

NSC10112

STR06133

to_000008

Tox21_202327

Tox21_302885

AKOS000119353

MCULE-1491819809

NCGC00091780-01

NCGC00091780-02

NCGC00256439-01

NCGC00259876-01

2-Ethylphenol 100 microg/mL in Methanol

SY012952

2-Ethylphenol 1000 microg/mL in Methanol

DB-021047

METACRESOL IMPURITY E [EP IMPURITY]

CS-0152504

E0160

NS00020546

EN300-20199

A15993

G69374

2-Ethylphenol, PESTANAL(R), analytical standard

J-509333

Q27115959

Z104477226

InChI=1/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H

JZ1

The Henry's Law constant for 2-ethylphenol is estimated as 4.6X10-6 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.153 mm Hg at 25 deg C(1), and water solubility, 5340 mg/L at 25 deg C(2). This value indicates that 2-ethylphenol will volatilize from water surfaces(3,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 9 days(3,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 68 days(3,SRC). 2-Ethylphenol's values for vapor pressure(1) and estimated Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil surfaces is possible, but is not likely to be a major fate process for this compound(SRC).
Literature: (1) Biddiscombe DP et al; J Chem Soc. pp. 5764-8 (1963) (2) Mueller M, Klein W; Chemosphere 25: 769-82 (1992) (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 2-ethylphenol is estimated as approximately 530(SRC), using a measured log Kow of 2.47(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 2-ethylphenol has moderate to low mobility in soil(SRC).
Literature: (1) Hansch C, Leo AJ; Pomona College Medicinal Chemistry Project. Claremont, CA. Log P Database (1987) (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)

2,6-Di-tert-butyl-4-methylphenol

128-37-0

Butylhydroxytoluene

2,6-Di-tert-butyl-p-cresol

2,6-Di-t-butyl-4-methylphenol

Ionol

DBPC

Stavox

BHT

Impruvol

Ionol CP

Dalpac

Deenax

Dibunol

Ionole

Kerabit

Topanol

Vianol

Antioxidant KB

Antioxidant 4K

Sumilizer BHT

Topanol O

Topanol OC

Vanlube PC

Antioxidant 29

Antioxidant 30

Antioxidant DBPC

Sustane BHT

Tenamene 3

Vanlube PCX

Nonox TBC

Tenox BHT

Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-

Chemanox 11

Agidol

Catalin CAO-3

Ionol 1

Advastab 401

3,5-Di-tert-butyl-4-hydroxytoluene

BUKS

Parabar 441

2,6-ditert-butyl-4-methylphenol

Antrancine 8

Vulkanox KB

Catalin antioxydant 1

2,6-Di-tert-butyl-4-cresol

Ionol (antioxidant)

Paranox 441

2,6-Bis(1,1-dimethylethyl)-4-methylphenol

Antioxidant MPJ

Antioxidant 4

Alkofen BP

AO 4K

CAO 1

CAO 3

Di-tert-butyl-p-cresol

Di-tert-butyl-p-methylphenol

Swanox BHT

Antox QT

Tenamen 3

Agidol 1

Antioxidant 264

Bht (food grade)

o-Di-tert-butyl-p-methylphenol

Antioxidant T 501

Ional

Nocrac 200

AO 29

NCI-C03598

2,6-Di-tert-butyl-1-hydroxy-4-methylbenzene

2,6-Di-tert-butyl-p-methylphenol

2,6-Di-terc.butyl-p-kresol

Dbpc (technical grade)

4-Hydroxy-3,5-di-tert-butyltoluene

FEMA No. 2184

4-Methyl-2,6-tert-butylphenol

Butylhydroxytoluenum

Di-tert-butylcresol

AOX 4K

Dibutylhydroxytoluene

2,6-ditert-butyl-4-methyl-phenol

Ionol CP-antioxidant

P 21

2,6-DI-T-BUTYL-P-CRESOL

4-Methyl-2,6-di-tert-butylphenol

AOX 4

Butyl hydroxy toluene

CCRIS 103

Popol

HSDB 1147

BHT 264

Bht(food grade)

NSC 6347

NSC-6347

4-Methyl-2,6-di-terc. butylfenol

EINECS 204-881-4

Ionol BHT

Ralox BHT

2,6-Di-tert-butyl-4-hydroxytoluene

2,6-Di-tert-butyl-4-methyl-phenol

1-Hydroxy-4-methyl-2,6-di-tert-butylbenzene

MFCD00011644

2,6-ditertiary-butyl-p-cresol

Dbpc(technical grade)

DTXSID2020216

E321

CHEBI:34247

2,6-Di-tert-butyl-4-methylhydroxybenzene

AI3-19683

p-Cresol, 2,6-di-tert-butyl-

INS-321

1P9D0Z171K

2,6-bis(tert-butyl)-4-methylphenol

2,6-Di-tert-butylcresol

CHEMBL146

Di-tert-Butyl-4-methylphenol

DTXCID20216

INS NO.321

E-321

FEMA 2184

NSC6347

2,6-di-tert-butyl-4-methyl phenol

NCGC00091761-03

Tonarol

Toxolan P

Caswell No. 291A

2,6-DI(TERT-BUTYL-D9)-4-METHYLPHENOL-3,5,O-D3

Annulex BHT

BUTYLHYDROXYTOLUENE (EP MONOGRAPH)

BUTYLHYDROXYTOLUENE [EP MONOGRAPH]

CAS-128-37-0

Butylohydroksytoluenu

Butylohydroksytoluenu [Polish]

Di-tert-butyl-p-cresol (VAN)

di-tert-butyl-methylphenol

Di tert butyl methylphenol

2,6-Di-terc.butyl-p-kresol [Czech]

EPA Pesticide Chemical Code 022105

2,6 Di tert butyl p cresol

UNII-1P9D0Z171K

4-Methyl-2,6-di-terc. butylfenol [Czech]

2,6 Di t butyl 4 methylphenol

Lowinox BHT

Nipanox BHT

BHT Swanox

BHT, food grade

4-Methyl-2,6-di-t-butyl-phenol

2, food grade

2,6 Di tert butyl 4 methylphenol

3IM

Dibutyl-para-cresol

NAUGARD BHT

PERMANAX BHT

TOPANOL BHT

YOSHINOX BHT

ANTAGE BHT

TOPANOL OL

VANOX PC

IONOL K

Spectrum_001790

BHT FCC/NF

SpecPlus_000768

CATALIN CAO 3

Methyldi-tert-butylphenol

Spectrum3_001849

Spectrum5_001612

BHT [INCI]

Hydagen DEO (Salt/Mix)

BHT [FCC]

LUBRIZOL 817

ULTRANOX 226

EC 204-881-4

2,6-di-Butyl-para-cresol

2.6-di-t-butyl-p-cresol

SCHEMBL3950

2,6-ditert-butyl-p-cresol

p-Cresol,6-di-tert-butyl-

Di-tert-Butylparamethylphenol

BSPBio_003238

KBioSS_002281

2,6-di-tert.butyl-p-cresol

IONOL 330

MLS000069425

BIDD:ER0031

DivK1c_006864

P 21 (PHENOL)

SPECTRUM1600716

2,6-bis-tert-butyl-p-cresol

2,6-di-tert-butyl-paracresol

2,6-di-tert-butylmethylphenol

2,6-di-tert. butyl-p-cresol

2,6-di-tert.-butyl-p-cresol

T 501 (PHENOL)

2,6-di-tert-butyl-para-cresol

2,6-di-tert-Butyl-methylphenol

2,6-ditertbutyl-4-methylphenol

2,6-di-t butyl-4-methylphenol

2.6-di-t-butyl-4-methylphenol

KBio1_001808

KBio2_002280

KBio2_004848

KBio2_007416

KBio3_002738

2,6-di-tert-butyl-4-methylenol

2,6-di-tert-butyl-4methylphenol

2,6-di-tert-butyl4-methylphenol

2,6-di-tertbutyl-4-methylphenol

2,6-ditert.butyl-4-methylphenol

BHT1506

2,6-Di(tert-butyl)hydroxytoluene

18 - Anti-oxidants in copra oil

2,6-di(t-butyl)-4-methylphenol

2,6-di-t- butyl-4-methylphenol

2,6-di-t-butyl 4-methyl phenol

2,6-di-t-butyl-4-methyl phenol

2,6-di-t-butyl-4-methyl-phenol

3,5-di-t-butyl-4-hydroxytoluene

HMS2091E21

HMS2231M22

HMS3369G17

HMS3750M21

Pharmakon1600-01600716

2,1-dimethylethyl)-4-methylphenol

2,6-di-tert-butyl 4-methylphenol

2,6-di-tert-butyl-4 methylphenol

2,6-di-tert-butyl4-methyl phenol

2,6-di-tert.butyl-4-methylphenol

2,6-ditert.-butyl-4-methylphenol

2.6-di-tert-butyl-4-methylphenol

4-methyl-2,6-di-tert.butylphenol

2,6-di-ter-butyl-4-methyl-phenol

2,6-Di-tert.-Butyl4-methylphenol

2,6-ditertiarybutyl-4-methylphenol

2.6-di- t-butyl- 4-methylphenol

AMY40200

HY-Y0172

STR04334

2,6 -di-tert-butyl-4-methylphenol

2,6-di(tert-butyl)-4-methylphenol

2,6-Di-tert-butyl-p-cresol, 8CI

2,6-di-tert.-butyl-4-methylphenol

Tox21_113537

Tox21_201093

Tox21_303408

2,6-di-tert-butyl-p-cresol (BHT)

2,6-Di-tert-butyl-para-methylphenol

BDBM50079507

NSC759563

s6202

STL277184

2,6-di-tert. butyl-4-methyl phenol

2,6-Di-(tert-butyl)-4-methylphenol

AKOS000269037

Tox21_113537_1

CCG-207937

CS-W020053

MCULE-4627478482

NSC-759563

2,6-TERT-BUTYL-4-METHYLPHENOL

Phenol, 2,6-di-tert-butyl-4-methyl-

NCGC00091761-01

NCGC00091761-02

NCGC00091761-04

NCGC00091761-05

NCGC00091761-06

NCGC00091761-07

NCGC00257275-01

NCGC00258645-01

AC-10553

SMR000059076

2,6-Di-tert-butyl-4-methylphenol (BHT)

2,6-Di-tert-butyl-4-methylphenol, 99%

BUTYLHYDROXYTOLUENUM [WHO-IP LATIN]

SBI-0052890.P002

4-HYDROXY-3,5-DI-T-BUTYL-TOLUENE

2,6-Di-tert-butyl-4-methylphenol, >=99%

D0228

NS00010740

Phenol,6-bis(1,1-dimethylethyl)-4-methyl-

T 501

2,6-bis-(1,1-dimethylethyl)-4-methylphenol

4-Methyl-2,6- di(1,1-dimethylethyl)phenol

4-METHYL-2,6-DITERTIARY-BUTYL-PHENOL

EN300-52982

PK04_181024

2,6-Di-tert-butyl-1-hydroxy-4-methyl benzene

D02413

D77866

MLS-0146297.0001

AB00053233_09

Phenol, 3,5-bis(1,1-dimethylethyl)-4-methyl-

2,6-Bis(1,1-dimethylethyl)-4-methylphenol, 9CI

2,6-Di-tert-butyl-4-methylphenol, puriss., 99%

A937188

AC-907/25014329

Q221945

SR-01000735918

SR-01000735918-2

W-108376

9FC4DFC8-480D-487C-A74A-2EC9EECE92C4

BENZENE,1,3-DITERT.BUTYL,2-HYDROXY,5-METHYL

BRD-K53153417-001-01-3

BRD-K53153417-001-06-2

F0001-0395

Z764922868

2,6-Di-tert-butyl-4-methylphenol, purum, >=99.0% (GC)

WLN: 1X1 & 1 & R BQ E1 CX1 & 1 & 1

2,6-Di-tert-butyl-4-methylphenol, >=99.0% (GC), powder

2,6-Di-tert-butyl-4-methylphenol, SAJ first grade, >=99.0%

2,6-Di-tert-butyl-4-methylphenol, tested according to Ph.Eur.

3,5-Di-tert-4-butylhydroxytoluene (BHT), analytical standard

2,6-Di-tert-butyl-4-methylphenol 1000 microg/mL in Acetonitrile

Butylhydroxytoluene, European Pharmacopoeia (EP) Reference Standard

2,6-Di-tert-butyl-4-methylphenol, certified reference material, TraceCERT(R)

2,6-DI-TERT-BUTYL-P-CRESOL2,6-BIS(1,1-DIMETHYLETHYL)-4-METHYL-PHENOL

InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H

The Henry's Law constant for 2,6-di-t-butyl-p-cresol is estimated as 2.5X10-3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). 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 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 6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 120 days when adsorption is considered(3). 2,6-Di-t-butyl-p-cresol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2,6-Di-t-butyl-p-cresol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.16X10-3 mm Hg(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data. 6th ed., New York, NY: McGraw-Hill (1984) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Meylan WM, Howard PH; Chemosphere 26: 2293-99 (1993)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,6-di-t-butyl-p-cresol can be estimated to be 1.5X10+4(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,6-di-t-butyl-p-cresol 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 3, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

P-XYLENE

1,4-Dimethylbenzene

Para-Xylene

106-42-3

1,4-Xylene

p-Methyltoluene

p-Dimethylbenzene

p-Xylol

Benzene, 1,4-dimethyl-

4-Xylene

4-Methyltoluene

Chromar

Scintillar

1,4-Dimethylbenzol

paraxylene

CCRIS 910

NSC 72419

HSDB 136

EINECS 203-396-5

UNII-6WAC1O477V

6WAC1O477V

DTXSID2021868

CHEBI:27417

AI3-52255

NSC-72419

68650-36-2

CHEMBL31561

p-Xylene-alpha,alpha'-13C2

DTXCID701868

EC 203-396-5

MFCD00008556

Xylene, p-

Benzene, p-dimethyl-

p-Xylenes

Xylene, p-isomer

PXY

p-Xylol (DOT)

1,4-dimethyl benzene

1,4-dimethyl-benzene

P-XYLENE [MI]

4-XYLENE [HSDB]

bmse000834

p-Xylene, analytical standard

BENZENE,1,4-DIMETHYL

WLN: 1R D1

p-Xylene, anhydrous, >=99%

p-Xylene, for synthesis, 99%

DTXSID90178045

187l

p-Xylene, for HPLC, >=99%

p-Xylene, ReagentPlus(R), 99%

NSC72419

p-Xylene 10 microg/mL in Methanol

Tox21_201113

BDBM50008567

Benzene, 1,2(or 1,4)-dimethyl-

c0083

STL264212

AKOS000121124

MCULE-3769448716

p-Xylene 5000 microg/mL in Methanol

p-Xylene, purum, >=98.0% (GC)

NCGC00091661-01

NCGC00091661-02

NCGC00258665-01

68411-39-2

CAS-106-42-3

p-Xylene, SAJ first grade, >=99.0%

p-Xylene [UN1307] [Flammable liquid]

p-Xylene, SAJ special grade, >=99.0%

NS00001217

S0649

X0014

X0044

EN300-24549

p-Xylene, puriss. p.a., >=99.0% (GC)

C06756

J-001588

J-524068

Q3314420

F0001-0120

Z199056432

InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H

p-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material

136777-61-2

25951-90-0

The Henry's Law constant for 4-xylene is measured as 6.90X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 4-xylene 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 3.1 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). 4-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.84 mm Hg(3).
Literature: (1) Foster P et al; Fresen Environ Bull 3: 318-323 (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)

Koc values of 246 and 540 have been measured for 4-xylene in silt and sandy loam soils respectively(1). A Koc value of 204 was measured for 4-xylene using sandy aquifer materials(2). A median experimental Koc value of 295 has also been reported(3). According to a classification scheme(4), these Koc values suggest that 4-xylene is expected to have moderate to low mobility in soil. A soil leaching column study estimated a 4-xylene Koc of 331 using a chromatographic methodology(5). Another soil column leaching study estimated a Koc range of 118-298 based on HPLC measurement(6).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-558 (1992) (2) Abdul AS et al; Hazard Waste & Hazard Mater 4: 211-22 (1987) (3) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supporting information) (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Xu F et al; J Environ Qual 30: 1618-1623 (2001) (6) ECHA; Search for Chemicals. p-Xylene (CAS 106-42-3) Registered Substances Dossier. European Chemical Agency; Available from, as of June 27, 2016: http://echa.europa.eu/

O-XYLENE

1,2-Dimethylbenzene

1,2-Xylene

95-47-6

Ortho-Xylene

Xylene

o-Xylol

o-Methyltoluene

2-Xylene

o-Dimethylbenzene

Benzene, 1,2-dimethyl-

3,4-Xylene

1,2-Dimethylbenzol

o-Xylenes

Xylene, o-

Dimethylbenzene

Benzene, o-dimethyl-

2-Methyltoluene

orthoxylene

NSC 60920

Benzene, dimethyl-

DTXSID3021807

CHEBI:28063

NSC-60920

o-Xylene-dimethyl-13C2

P-XYLENE-A,A,A-D3

1,2-XYLOL

BENZENE,1,2-DIMETHYL

CHEMBL45005

DTXCID501807

Z2474E14QP

MFCD00008519

68411-84-7

CCRIS 905

HSDB 134

EINECS 202-422-2

UNII-Z2474E14QP

dimethyl benzene

dimethyl-benzene

AI3-08197

Xylenes ACS

Xylene, o-isomer

1,2-dimethyl-benzene

o-Xylene, HPLC Grade

O-XYLENE [MI]

2-XYLENE [HSDB]

bmse000526

EC 202-422-2

o-Xylene, anhydrous, 97%

o-Xylene, analytical standard

o-Xylene, for HPLC, 98%

WLN: 1R B1

o-Xylene, for synthesis, 98%

DTXSID10178042

188l

o-Xylene, Spectrophotometric Grade

NSC60920

o-Xylene 10 microg/mL in Methanol

Tox21_200658

BDBM50008560

STL264206

o-Xylene 100 microg/mL in Methanol

AKOS000269058

o-Xylene, reagent grade, >=98.0%

MCULE-2208963094

CAS-95-47-6

NCGC00091662-01

NCGC00091662-02

NCGC00091662-03

NCGC00258212-01

o-Xylene, spectrophotometric grade, 98%

BS-20678

o-Xylene [UN1307] [Flammable liquid]

o-Xylene, SAJ special grade, >=98.5%

DB-257286

NS00007915

S0650

X0012

EN300-25617

o-Xylene, puriss. p.a., >=99.0% (GC)

C07212

Q2988108

F1908-0112

InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H

o-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material

Xy

The Henry's Law constant for 2-xylene has been measured as 5.18X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 2-xylene 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 3.2 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.1 days(SRC). 2-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.65 mm Hg at 25 deg C(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 18: 1111-230 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. New York, NY: Hemisphere Pub Corp (1996)

Koc values measured for 2-xylene in various soils (% organic matter) were 24 in Wendover silty clay (16.2%), 26 in Vaudreil sand loam (10.0%), 68 in St. Thomas sand (3.1%), and 138 in Grimsby silt loam (1.0%)(1). Batch adsorption tests, using three solid sandy aquifer materials gave a Koc of 129(2). The Koc for 2-xylene in surface sediments collected from the central Tamar estuary in the UK was 25.4(3). The Koc values for 2-xylene in two river sediments (% organic matter 6.5-16.9 wt%) was 209 and 251, respectively(4). According to a classification scheme(5), these measured Koc values suggests that 2-xylene is expected to have very high to moderate mobility in soil. Using OECD Guideline 121 (estimating Koc via HPLC), the Koc of 2-xylene was estimated to be 537(6). Concentration enhancement has been observed for 2-xylene in a dune-infiltration project on the Rhine River(7); however, no 2-xylene reached groundwater under a rapid infiltration site(8). The log Koc for 2-xylene in coal sediment (% organic matter 52 wt%) was 2.40(4).
Literature: (1) Nathwani JS, Phillip CR; Chemosphere 6: 157-62 (1977) (2) Abdul AS, Gibson TL, Rai DN; S Haz Waste Haz Mat 4: 211-22 (1987) (3) Vowles PD, Mantoura RFC; Chemosphere 16: 109-16 (1987) (4) Kopinke FD et al; Environ Sci Technol 29: 941-50 (1995) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) ECHA; Search for Chemicals. o-Xylene (CAS 95-47-6) Registered Substances Dossier. European Chemical Agency. Available from, as of June 20, 2015: http://echa.europa.eu/ (7) Piet GJ et al; Quality of groundwater. Van Dwjvenbooden W et al, eds; Studies in Environ Sci 17: 557-64 (1981) (8) Tomson MB et al; Water Res 15: 1109-16 (1981)

4-Methoxybenzhydrol

(4-Methoxyphenyl)(phenyl)methanol

720-44-5

(4-methoxyphenyl)-phenylmethanol

MFCD00014398

Benzenemethanol, 4-methoxy-.alpha.-phenyl-

4-Methoxybenzhydryl alcohol

(4-Methoxy-phenyl)-phenyl-methanol

NSC5186

Benzenemethanol,4-methoxy-a-phenyl-

EINECS 211-953-9

NoName_3861

p-methoxybenzhydryl alcohol

DL-4-METHOXYBENZHYDROL

SCHEMBL477621

4-Fluoro-2-nitrophenylisocyanate

DTXSID30903232

(4-methoxyphenyl)-phenyl-methanol

NSC 5186

NSC-5186

(4-Methoxyphenyl)(phenyl)methanol #

BBL036017

STK022522

AKOS005379031

MCULE-6836919933

Benzenemethanol, 4-methoxy-alpha-phenyl-

AC-20896

SY049550

DB-055600

CS-0093480

M1278

NS00042947

D75401

AE-641/00008036

2-PENTYLTHIOPHENE

4861-58-9

2-n-Pentylthiophene

Thiophene, 2-pentyl-

2-n-Amylthiophene

2-pentyl-thiophene

1-Methylbutylthiophene

L79LOS1ZKM

MFCD00041017

2-Amylthiophene

C9H14S

UNII-L79LOS1ZKM

EINECS 225-465-9

SCHEMBL176020

2-Pentylthiophene, AldrichCPR

DTXSID8063628

FEMA NO. 4387

CHEBI:89509

2-PENTYLTHIOPHENE [FHFI]

AKOS006230222

DS-4807

MCULE-5834588939

SB66868

SY034123

DB-030431

CS-0128837

NS00022222

P1835

EN300-88036

F15453

A827569

W-106046

Q27161703

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)

2-Decene, (E)-

(E)-dec-2-ene

2-DECENE

(E)-2-Decene

25339-53-1

20063-97-2

2-Decene, (2E)-

(2E)-2-Decene

(2E)-2-Decene #

HSDB 5129

DTXSID70891927

EINECS 246-870-7

AKOS006229084

NSC 102790

(E)-2-C10H20

NS00009277

EC 246-870-7

Q63396272

2-Methyl-2-dodecene

2-methyl-dodec-2-ene

55103-82-7

2-Dodecene, 2-methyl-

2-Methyl-2-dodecene #

DTXSID00338577

NBFZWOUNUXKZOR-UHFFFAOYSA-N

DB-261287

4-Methyl-1-undecene

1-Undecene, 4-methyl-

74630-39-0

4-methylundec-1-ene

4-Methyl-1-hendecene

4-Methyl-1-undecene #

1-UNDECENE,4-METHYL

XOPDEIDKEIFVSU-UHFFFAOYSA-N

DTXSID501015960

AKOS006325836

2-Methyl-2-decene

2-Decene, 2-methyl-

23381-92-2

2-Methyl-2-decene #

DTXSID80334234

4-Nonene, 5-butyl-

5-Butyl-4-nonene

7367-38-6

5-n-Butyl-4-nonene

NSC174946

5-butyl-non-4-ene

5-Butyl-4-nonene #

DTXSID70306288

UKAAUKLRJKBIDI-UHFFFAOYSA-N

NSC-174946

1-Hexadecene

629-73-2

Hexadec-1-ene

Cetene

1-Cetene

Hexadecylene-1

Cetylene

Hexadecene

1-n-Hexadecene

alpha-Hexadecene

N-HEXADEC-1-ENE

alpha-Hexadecylene

Gulftene 16

Dialene 16

Hexadecene, 1-

.alpha.-Hexadecene

NSC 60602

HSDB 5730

EINECS 211-105-8

UNII-97T015M2UX

DTXSID1027269

CHEBI:77507

AI3-06556

97T015M2UX

NSC-60602

DTXCID507269

EC 211-105-8

MFCD00008991

Alkenes, C14-18 .alpha.-

1-Hexadecene, analytical standard

68855-59-4

1-(4-bromo-1-phenylbutyl)-4-fluorobenzene

26952-14-7

Hexadecene-1

UNII-38H8547VP0

?1-Hexadecene

Neodene 16

EINECS 248-131-4

EC 248-131-4

1-Hexadecene, >=98.5%

CHEMBL3182381

N-HEXADEC-1-ENE [HSDB]

NSC60602

Tox21_202748

1-Hexadecene, technical grade, 92%

AKOS015902424

38H8547VP0

MCULE-4969847612

NCGC00260296-01

CAS-629-73-2

LS-14545

1-Hexadecene 10 microg/mL in Cyclohexane

1-Hexadecene, puriss., >=99.0% (GC)

CS-0158002

H0323

H0610

NS00006637

E81957

Q27147084

INSOLUBLE IN WATER; SOLUBLE IN ALCOHOL, ETHER, PETROLEUM ETHER
Literature: Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-332
Literature: #SOLUBLE IN PETROLEUM AND COAL-TAR SOLVENTS
Literature: Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 437

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)

Linalool

78-70-6

3,7-Dimethylocta-1,6-dien-3-ol

Linalol

LINALYL ALCOHOL

3,7-Dimethyl-1,6-octadien-3-ol

allo-Ocimenol

beta-Linalool

(+-)-Linalool

Phantol

1,6-Octadien-3-ol, 3,7-dimethyl-

p-Linalool

Linanool

Linolool

(+/-)-linalool

2,6-Dimethyl-2,7-octadien-6-ol

2,6-Dimethylocta-2,7-dien-6-ol

.beta.-Linalool

2,6-Dimethyl-2,7-octadiene-6-ol

FEMA No. 2635

NSC 3789

(RS)-Linalool

DIABEXALL

(1)-3,7-Dimethyl-1,6-octadien-3-ol

CHEBI:17580

LINALOOL, DL-

NSC-3789

3,7-dimethyl-octa-1,6-dien-3-ol

D81QY6I88E

DTXSID7025502

LINALOOL, (+/-)-

NSC3789

L 260-2

MFCD00008906

Linalool 1000 microg/mL in Isopropanol

LINALOOL (USP-RS)

LINALOOL [USP-RS]

(+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene

Licareol

22564-99-4

Linalool (natural)

DTXCID305502

Caswell No. 526A

(S)-Linalol

dl-Linalool

FEMA Number 2635

CAS-78-70-6

CCRIS 6557

HSDB 645

EINECS 201-134-4

EINECS 245-083-6

EPA Pesticide Chemical Code 128838

BRN 1721488

UNII-D81QY6I88E

AI3-00942

Linalool b

|A-Linalool

Linalool, .beta.

Linalool,(S)

( )-linalool

Linalool, 97%

2,7-Octadien-6-ol, 2,6-dimethyl-

LINALOOL OIL

3,6-octadien-3-ol

2,7-octadiene-6-ol

LINALOOL [FHFI]

LINALOOL [HSDB]

LINALOOL [INCI]

LINALOOL [FCC]

2,7-dien-6-ol

3,6-dien-3-ol

dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene

LINALOOL [MI]

LINOLOOL (D)

(.+/-.)-Linalool

LINALOOL [WHO-DD]

EC 201-134-4

SCHEMBL20316

Linalool, analytical standard

0-01-00-00462 (Beilstein Handbook Reference)

MLS002152908

CHEMBL25306

LINALOOL, (+-)-

GTPL2469

NDI 595 [FDMS]

FEMA 2635

NDI 595

HMS2268E18

HMS3886G07

Linalool, >=97%, FCC, FG

1, 3,7-dimethyl-, (-)-

HY-N0368

WLN: 1U1XQ1&3UY1&1

Tox21_201658

Tox21_303037

AC-551

BBL027734

BDBM50459894

MFCD09025547

s4957

STL373777

3,7-Dimethyl-1, 6-octadien-3-ol

AKOS015901617

( inverted exclamation markA)-Linalool

CCG-266253

MCULE-2407576698

NCGC00091688-01

NCGC00091688-02

NCGC00091688-03

NCGC00091688-04

NCGC00257060-01

NCGC00259207-01

AS-56047

SMR000112394

SY264412

WLN: 1Y1&U3XQ1&1U1 -,-

DB-062552

(+/-)-3,7-Dimethyl-1,6-octadien-3-ol

CS-0008916

L0048

NS00005142

C03985

EN300-174564

F17676

Linalool, primary pharmaceutical reference standard

Q410932

CU-01000013132-2

Q-201306

Linalool, certified reference material, TraceCERT(R)

Z1255402668

The Henry's Law constant for linalool is 2.15X10-5 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that linalool 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 54 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 20 days(SRC). Linalool's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Linalool exists as a liquid environmentally at standard temperature and pressure, therefore, it is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.159 mm Hg(3).
Literature: (1) Altschuh J et al; Chemosphere 39: 1871-87 (1999) (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 et al; Environ International 24: 353-58 (1998)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of linalool can be estimated to be 75(SRC). According to a classification scheme(2), this estimated Koc value suggests that linalool 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 Nov 20, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

MENTHOL

dl-Menthol

1490-04-6

2-Isopropyl-5-methylcyclohexanol

15356-70-4

89-78-1

Cyclohexanol, 5-methyl-2-(1-methylethyl)-

Menthyl alcohol

p-Menthan-3-ol

Mentholum

Caswell No. 540

Mineral ice

Hexahydrothymol

5-methyl-2-propan-2-ylcyclohexan-1-ol

3-Hydroxy-p-menthane

CCRIS 9231

(+/-)-Menthol

EINECS 216-074-4

Neomenthol

Menthol [USP]

Menthol natural

EPA Pesticide Chemical Code 051601

rac-Menthol

HSDB 593

DTXSID8029650

AI3-08161

Therapeutic mineral ice

Menthol, dl-

5-Methyl-2-(1-methylethyl)cyclohexanol

2-Isopropyl-5-methylcyclohexan-1-ol

Fisherman's friend lozenges

DTXCID30805

5-methyl-2-(propan-2-yl)cyclohexan-1-ol

CHEBI:25187

(1R,2S,5R)-Menthol

EC 216-074-4

Menthol (USP)

MFCD00001484

(1S, 2S, 5R)-(+)-Neomenthol

491-01-0

5-methyl-2-(propan-2-yl)cyclohexanol

Menthol 1000 microg/mL in Acetonitrile

(1R,2R,5R)-Isomenthol

Racemic menthol

FEMA No. 2665

491-02-1

3-p-Menthanol

Menthol, cis-1,3,trans-1,4-

MEGGEZONE

MFCD00062983

DL-ISOMENTHOL

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-

3-p-Menthol

(+/-)-p-Menthan-3-ol

CAS-1490-04-6

L(-)-Menthol

Robitussin Cough Drops

UNII-L7T10EIP3A

(1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol

5-Methyl-2-(1-methylethyl)-cyclohexanol

Menthol racemate

MFCD00062980

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-

2-Isopropyl-5-methyl-cyclohexanol

(-)menthol

NCGC00159382-02

(-) menthol

4-Isopropyl-1-methylcyclohexan-3-ol

BOHENAO

Menthol, 99%

dextro,laevo-neomenthol

dl-Menthol (JP17)

1-methyl-4-isopropyl-3-hydroxycyclohexane

MENTHOL (II)

MENTHOL (MART.)

MENTHOL, UNSPECIFIED

SCHEMBL4612

L7T10EIP3A

Menthol, (.+/-.)-

Menthol, puriss., 99.0%

CHEMBL256087

DL-Menthol, analytical standard

MENTHOL (USP MONOGRAPH)

LEVOMENTHOL OR RACEMENTHOL

MENTHOL, UNSPECIFIED FORM

SALONPAS COMPONENT MENTHOL

AMY3077

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.beta.,5.beta.)]-

Fisherman's friend lozenges (TN)

BDBM248162

HMS3744K19

2-Isopropyl-5-methylcyclohexanol #

BCP27552

BCP31841

CS-M3737

HY-N1369

menthol crystals; 15356-70-4

MENTHOL COMPONENT OF SALONPAS

Tox21_200010

Tox21_303464

1-Methyl-4-isopropyl-3-cyclohexanol

BBL009325

DL-Menthol, >=95%, FCC, FG

STK802468

( inverted exclamation markA)-Menthol

AKOS000119740

AKOS016843634

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.alpha.,5.beta.)-

AM81446

MCULE-3070949324

SB35230

SB44308

SB44857

(2R)-2-isopropyl-5-methyl-cyclohexanol

Menthol, SAJ special grade, >=98.0%

NCGC00159382-03

NCGC00159382-04

NCGC00159382-05

NCGC00159382-06

NCGC00257403-01

NCGC00257564-01

1ST40117

HY-75161

SY004225

SY010603

SY073200

SY157908

VS-02042

DB-063989

Levomenthol; D-(-)-Menthol; (-)-Menthol

CS-0016777

M0321

NS00001027

EN300-19914

LEVOROTATORY-MENTHOL OR RACEMIC-MENTHOL

(+/-)-Menthol, racemic, >=98.0% (GC)

2-Isopropy-5-methylcyclohexanol-1,2,6,6-d4

D04849

D04918

E80543

(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexanol

A808833

A809442

J-500418

Q27109870

L-p-Menthan-3-ol; Menthol ,natural; (1R,2S,5R)-(-)-Menthol

Menthol-plus it inverted exclamation markas 3 isomers-1,2,6,6-d4

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-(.+/-.)-

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.alpha.,5.beta.)]-

L-Menthol; (-)-Menthol; Levomenthol; Menthomenthol;2-isopropyl-5-methyl-cyclohexanol;Menthol