benzaldehyde

100-52-7

Benzoic aldehyde

Phenylmethanal

Benzenecarboxaldehyde

Benzenecarbonal

Benzenemethylal

Benzaldehyde FFC

Benzene carbaldehyde

Benzene carboxaldehyde

benzanoaldehyde

Benzylaldehyde

Benzoyl hydride

NCI-C56133

Benzoic acid aldehyde

FEMA No. 2127

Caswell No. 076

Phenylformaldehyde

Benzaldehyde (natural)

NSC 7917

Benzadehyde

Benzyaldehyde

CCRIS 2376

HSDB 388

NSC-7917

EINECS 202-860-4

UNII-TA269SD04T

Benzaldehyde-carbonyl-13C

Benzaldehyde [NF]

EPA Pesticide Chemical Code 008601

Benzaldehyde-formyl-d

TA269SD04T

Benzaldehyde-alpha-d1

DTXSID8039241

CHEBI:17169

AI3-09931

MFCD00003299

8013-76-1

Benzaldehyde, methyl-

CHEMBL15972

DTXCID90134

NSC7917

EC 202-860-4

Phenylmethanal benzenecarboxaldehyde

Benzaldehyde (NF)

NCGC00091819-01

NCGC00091819-02

BENZALDEHYDE (II)

BENZALDEHYDE [II]

BENZALDEHYDE (MART.)

BENZALDEHYDE [MART.]

benzaldehyd

Benzaldhyde

BENZALDEHYDE (USP IMPURITY)

BENZALDEHYDE [USP IMPURITY]

BDBM50139371

CAS-100-52-7

FENTANYL IMPURITY E (EP IMPURITY)

FENTANYL IMPURITY E [EP IMPURITY]

TRIBENOSIDE IMPURITY C (EP IMPURITY)

TRIBENOSIDE IMPURITY C [EP IMPURITY]

BENZYL ALCOHOL IMPURITY A (EP IMPURITY)

BENZYL ALCOHOL IMPURITY A [EP IMPURITY]

FENTANYL CITRATE IMPURITY E (EP IMPURITY)

FENTANYL CITRATE IMPURITY E [EP IMPURITY]

AMFETAMINE SULFATE IMPURITY D (EP IMPURITY)

AMFETAMINE SULFATE IMPURITY D [EP IMPURITY]

UN1990

BENZALKONIUM CHLORIDE IMPURITY B (EP IMPURITY)

BENZALKONIUM CHLORIDE IMPURITY B [EP IMPURITY]

GLYCOPYRRONIUM BROMIDE IMPURITY F (EP IMPURITY)

GLYCOPYRRONIUM BROMIDE IMPURITY F [EP IMPURITY]

HYDROUS BENZOYL PEROXIDE IMPURITY A (EP IMPURITY)

HYDROUS BENZOYL PEROXIDE IMPURITY A [EP IMPURITY]

benzaidehyde

benzaldehvde

benzaldehye

benzaldeyde

BENZOYLL PEROXIDE HYDROUS IMPURITY A (EP IMPURITY)

BENZOYLL PEROXIDE HYDROUS IMPURITY A [EP IMPURITY]

C7H6O

phenyl-methanone

Benzene methylal

Aromatic aldehyde

Benzoylwasserstoff

(phenyl)methanone

benzenecarbaldehyde

Benzaldehyde,(S)

PhCHO

Benzene carcaboxaldehyde

2vj1

WLN: VHR

BENZALDEHYDE [MI]

SCHEMBL573

BENZALDEHYDE [FCC]

BENZALDEHYDE [FHFI]

BENZALDEHYDE [HSDB]

BENZALDEHYDE [INCI]

BENZALDEHYDE [VANDF]

ghl.PD_Mitscher_leg0.170

BENZALDEHYDE [USP-RS]

Benzaldehyde, AR, >=99%

Benzaldehyde, LR, >=99%

BIDD:ER0249

BDBM60953

Benzaldehyde, analytical standard

Ald3-H_000012

Benzaldehyde, >=98%, FG, FCC

Ald3.1-H_000160

Ald3.1-H_000479

Ald3.1-H_000798

Tox21_113069

Tox21_113244

Tox21_200634

s5574

STL194067

Benzaldehyde, for synthesis, 95.0%

AKOS000119172

Benzaldehyde [UN1990] [Class 9]

CCG-266041

MCULE-7744113682

NA 1989

Benzaldehyde, purum, >=98.0% (GC)

Benzaldehyde, ReagentPlus(R), >=99%

NCGC00091819-03

NCGC00258188-01

PS-11959

Benzaldehyde, natural, >=98%, FCC, FG

DB-023673

B2379

Benzaldehyde, SAJ special grade, >=98.0%

NS00008510

Benzaldehyde, Vetec(TM) reagent grade, 98%

Benzaldehyde 1000 microg/mL in Dichloromethane

Benzaldehyde 2000 microg/mL in Dichloromethane

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

C00193

C00261

D02314

A800226

Q372524

SR-01000944375

Benzaldehyde, purified by redistillation, >=99.5%

SR-01000944375-1

F1294-0144

Flavor and Extract Manufacturers' Association No. 2127

InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6

Benzaldehyde, European Pharmacopoeia (EP) Reference Standard

Benzaldehyde, United States Pharmacopeia (USP) Reference Standard

Benzaldehyde, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde 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 1.5 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 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of benzaldehyde can be estimated to be 11(SRC). According to a classification scheme(2), this estimated Koc value suggests that benzaldehyde is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of May 30, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)

2-Isopropyl-5-methylpyrazine

13925-05-8

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

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

2-methyl-5-propan-2-ylpyrazine

2-Methyl-5-isopropylpyrazine

5-Isopropyl-2-methylpyrazine

2-methyl-5-isopropyl pyrazine

Pyrazine, 2-isopropyl-5-methyl-

FEMA No. 3554

818RIW504V

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

UNII-818RIW504V

2-Methyl-5-i-propylpyrazin

SCHEMBL179362

2-isopropyl-5-methyl-pyrazine

DTXSID7065677

FEMA 3554

CHEBI:193643

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

AKOS006326657

AS-59519

2-Methyl-5-(1-methylethyl)pyrazine, 9CI

DB-116848

5-ISOPROPYL-2-METHYLPYRAZINE [FHFI]

CS-0059950

NS00124338

W18369

A922235

Q27269228

2-Isopropyl-3-methylpyrazine

15986-81-9

2-Methyl-3-isopropylpyrazine

2-methyl-3-propan-2-ylpyrazine

Pyrazine, 2-methyl-3-(1-methylethyl)-

2-methyl-3-(propan-2-yl)pyrazine

3-Isopropyl-2-methylpyrazine

2-Isopropyl-3-methyl-pyrazine

CHEMBL275759

SCHEMBL2550967

SCHEMBL4729929

2-Isopropyl-3-methylpyrazine #

2-Methyl-3-iso-propyl pyrazine

Pyrazine, 2-methyl-3-isopropyl

DTXSID70333918

LNSYLBDZKBWDNL-UHFFFAOYSA-N

Pyrazine, 2-methyl-3-(1-methylethyl)

DB-314114

NS00113890

A851548

Q63409484

2,3-DIETHYL-5-METHYLPYRAZINE

18138-04-0

Pyrazine, 2,3-diethyl-5-methyl-

2,3-Diethyl-6-methylpyrazine

2-Methyl-5,6-diethylpyrazine

5-Methyl-2,3-diethylpyrazine

FEMA No. 3336

2,3-diethyl-5-methyl-pyrazine

530763R0AP

hazelnut pyrazine

MLS000515960

UNII-530763R0AP

EINECS 242-024-6

SCHEMBL756047

CHEMBL1904383

DTXSID6066317

FEMA 3336

PSINWXIDJYEXLO-UHFFFAOYSA-

CHEBI:193685

HMS2269E08

METHYL-5,6-DIETHYLPYRAZINE

AMY23188

MFCD00009635

2,3-Diethyl-5-methylpyrazine, 99%

AKOS015838583

CS-W016320

MCULE-9640927466

NCGC00247002-01

AC-16405

AS-59328

SMR000112429

2,3-Diethyl-5-methylpyrazine, 99%, FG

DB-019730

D1714

NS00021776

2,3-DIETHYL-5-METHYLPYRAZINE [FHFI]

D81788

2,3-Diethyl-5-methylpyrazine, analytical standard

A812612

Q-100216

Q27261047

InChI=1/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3

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)

2,3,5-TRIMETHYLPHENOL

697-82-5

Isopseudocumenol

1-Hydroxy-2,3,5-trimethylbenzene

Phenol, 2,3,5-trimethyl-

70969-66-3

Phenol, 2,3,5(or 3,4,5)-trimethyl-

MFCD00002228

DTXSID3047184

CHEBI:38570

1S1061ZBQ1

NSC-5296

2,3,5-Trimethylphenol 100 microg/mL in Methanol

6-HYDROXYPSEUDOCUMENE

UNII-1S1061ZBQ1

NSC5296

NSC 5296

EINECS 211-806-9

2,3,5-Trimethyphenol

Phenol,3,5-trimethyl-

2,3,5-trimethyl-phenol

2, 3, 5-Trimethylphenol

SCHEMBL205747

CHEMBL3182604

DTXCID1027184

2,3,5-Trimethylphenol, 99%

STR04504

Tox21_302716

AKOS000274544

CCG-302509

CS-W016528

HY-W015812

MCULE-2192690980

NCGC00256639-01

AC-10653

CAS-697-82-5

DB-025388

METACRESOL IMPURITY M [EP IMPURITY]

AM20061097

NS00006029

T0485

EN300-22345

A836645

W-104590

Q27117905

F0001-1811

Z147642480

2,3,5-Trimethylphenol, PESTANAL(R), analytical standard

InChI=1/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H

1076-56-8

2-Isopropyl-5-methylanisole

Thymol methyl ether

O-Methylthymol

Thymyl methyl ether

1-Isopropyl-2-methoxy-4-methylbenzene

Methyl thymyl ether

3-Methoxy-p-cymene

4-Isopropyl-3-methoxytoluene

Methyl thymol ether

Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-

Benzene,2-methoxy-4-methyl-1-(1-methylethyl)-

ANISOLE, 2-ISOPROPYL-5-METHYL-

2-methoxy-4-methyl-1-propan-2-ylbenzene

1-Methyl-3-methoxy-4-isopropylbenzene

methylthymol

FEMA No. 3436

Thymol methyl

thymol Me ether

2-methoxy-4-methyl-1-(propan-2-yl)benzene

2-Methoxy-4-methyl-1-(1-methylethyl)benzene

VTE0C4390U

DTXSID5047617

NSC-404221

Methylthymol, o-

EINECS 214-063-9

NSC 404221

BRN 2042889

UNII-VTE0C4390U

AI3-03431

thymyl methyl oxide

Methyl THYMYL oxide

starbld0009587

Thymol derivative, 21

Fema3436

4-06-00-03335 (Beilstein Handbook Reference)

:2-Isopropyl-5-methylanisole

3-METHOXY-PARA-CYMENE

SCHEMBL196752

2-Isopropyl-5-methyl-Anisole

CHEMBL2424841

DTXCID3027617

CHEBI:167336

BDBM248170

Tox21_302575

MFCD01674973

NSC404221

2-ISO PROPYL-5-METHYLANISOLE

AKOS015914183

Thymol methyl ether (= methyl thymol)

NCGC00256877-01

LS-13985

CAS-1076-56-8

CS-0335474

I0996

NS00012741

1-Methyl-3-methoxy-4-isopropylbenzene, 98%

D91215

Q27292012

1-METHYL-3-METHOXY-4-ISOPROPYL BENZENE [FHFI]

1-Isopropyl-2-methoxy-4-methylbenzene, analytical standard

2-(2-Methylpropyl)-3-(1-methylethyl)pyrazine

SCHEMBL9953172

2-Isobutyl-3-isopropylpyrazine #

IYJJYDZIDFEECJ-UHFFFAOYSA-N

2-(2-methylpropyl)-3-(1-methylethyl)-pyrazine

2,5-Dimethyl-3-isopropylpyrazine

3-Isopropyl-2,5-dimethylpyrazine

40790-20-3

2,5-dimethyl-3-propan-2-ylpyrazine

7P7UTQ6SJX

Pyrazine, 2,5-dimethyl-3-(1-methylethyl)-

2,5-Dimethyl-3-(1-methylethyl)pyrazine

UNII-7P7UTQ6SJX

SCHEMBL12141954

DTXSID001019729

2,5-dimethyl-3-isopropyl pyrazine

2,5-dimethyl-3-isopropyl-pyrazine

3-Isopropyl-2,5-dimethylpyrazine #

DB-289034

NS00113849

1,4-PENTADIENE

Penta-1,4-diene

591-93-5

Pentadiene-1,4

A5IF861OQ5

NSC-73902

UNII-A5IF861OQ5

NSC73902

EINECS 209-736-9

MFCD00008665

NSC 73902

penta-1,4-dien-3-yl

CH2=CHCH2CH=CH2

1,4-Pentadiene, 99%

DTXSID8060456

DTXSID90931970

AKOS025295503

NS00034106

P0038

D91889

A832205

Q161535

InChI=1/C5H8/c1-3-5-4-2/h3-4H,1-2,5H

methanethiol

METHYL MERCAPTAN

Methylmercaptan

Mercaptomethane

74-93-1

Methyl sulfhydrate

Thiomethanol

Methanthiol

Thiomethyl alcohol

Metilmercaptano

Methvtiolo

Methylmercaptaan

Mercaptan methylique

Methaanthiol

Thiomethane

RCRA waste number U153

FEMA No. 2716

Methanethiole

CH3SH

methyl-mercaptan

Methyl thioalcohol

MeSH

UN 1064

2X8406WW9I

Methaanthiol [Dutch]

Methanthiol [German]

Methvtiolo [Italian]

Methylmercaptaan [Dutch]

Metilmercaptano [Italian]

Metilmercaptano [Spanish]

SCH 54292

Methyl mercaptan (natural)

Mercaptan methylique [French]

HSDB 813

EINECS 200-822-1

UN1064

RCRA waste no. U153

BRN 1696840

methylsulfanyl

methane thiol

methyl sulfides

methyl thiol

methyl-thiol

UNII-2X8406WW9I

(methyl)sulfane

Methylthioalcohol

a methyl thioether

sulfonium methylide

Methanethiol, purum

Methanethiol, 98.0%

METHANETHIOL [MI]

EC 200-822-1

Methanethiol, >=98.0%

4-01-00-01273 (Beilstein Handbook Reference)

METHYL MERCAPTAN [FHFI]

METHYL MERCAPTAN [HSDB]

DTXSID5026382

CHEBI:16007

CHEBI:86315

DTXSID10168842

DTXSID60992376

InChI=1/CH4S/c1-2/h2H,1H

NSC229573

AKOS009157032

NSC-229573

Methyl mercaptan [UN1064] [Poison gas]

NS00020025

C00409

Q409309

17719-48-1

Z22

The Henry's Law constant for methyl mercaptan is estimated as 0.0031 atm-cu m/mole(SRC) derived from its vapor pressure, 1,510 mm Hg(1), and water solubility, 15,400 mg/L(2). This Henry's Law constant indicates that methyl mercaptan is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 0.8 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 2.8 days(SRC). Methyl mercaptan's Henry's Law constant indicates that volatilization from moist soil surfaces is expected to occur(SRC). Methyl mercaptan is expected to volatilize rapidly from dry soil surfaces based upon its vapor pressure and because it is a gas a temperatures above 6 deg C(SRC). However, gaseous methyl mercaptan gas has been found to strongly adsorb to moist and dry soil surfaces suggesting that adsorption might be an environmental sink for methyl mercaptan(4). Therefore, the importance of volatilization from soil surfaces may be attenuated by adsorption(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Smith KA et al; Soil Sci 116: 313-9 (1973)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of methyl mercaptan can be estimated to be 13(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl mercaptan is expected to have very high mobility in soil. Gaseous methyl mercaptan has been observed to partition to soils(3). For example, when gaseous methyl mercaptan was passed over six air-dried and moist (50% field capacity) soils, 2.4-32.1 mg/g and 2.2-21.4 mg/g of methyl mercaptan rapidly adsorbed to the dry and moist soils, respectively(3). Neither the capacity or rate of sorption was correlated to soil pH, organic matter content, or clay content; sterile controls ruled out the involvement of microorganisms(3); it was suggested that adsorption to soil surfaces might be an environmental sink for gaseous methyl mercaptan(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of July 19, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Smith KA et al; Soil Sci 116: 313-9 (1973)

BENZOTHIAZOLE

95-16-9

BENZO[D]THIAZOLE

1,3-Benzothiazole

Benzosulfonazole

1-Thia-3-azaindene

Vangard BT

benzothiazol

USAF EK-4812

FEMA No. 3256

CHEBI:45993

O-2857

MFCD00005775

G5BW2593EP

DTXSID7024586

NSC-8040

BT

DTXCID204586

benzthiazole

FEMA Number 3256

CAS-95-16-9

CCRIS 7893

HSDB 2796

NSC 8040

EINECS 202-396-2

BRN 0109468

UNII-G5BW2593EP

s-benzothiazole

AI3-05742

Benzothiazole, 96%

1,3-Benzothiazole #

BENZOTHIAZOLE [MI]

Epitope ID:138946

EC 202-396-2

SCHEMBL8430

BENZOTHIAZOLE [FHFI]

BENZOTHIAZOLE [HSDB]

WLN: T56 BN DSJ

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

MLS001050134

Benzothiazole, >=96%, FG

CHEMBL510309

SCHEMBL9304593

NSC8040

Benzothiazole, analytical standard

AMY23315

Tox21_201853

Tox21_303232

BDBM50444460

LT0034

STL268890

AKOS000120178

AC-3297

CS-W013350

FS-4155

HY-W012634

MCULE-5257468117

NCGC00091399-01

NCGC00091399-02

NCGC00257070-01

NCGC00259402-01

BOT

SMR001216577

DB-057562

B0092

NS00000291

Benzothiazole, Vetec(TM) reagent grade, 96%

EN300-19148

D77749

AC-907/25014160

Q419096

Q-100900

F0001-2268

Z104472964

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

The Henry's Law constant for benzothiazole is estimated as 3.7 X 10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that benzothiazole will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 114 days(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 832 days(2,SRC). Benzothiazole's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces should be slow(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of benzothiazole is estimated as approximately 295(SRC), using an experimental log Kow of 2.01(1,SRC) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzothiazole has moderate mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Hydrophobic, Electronic and Stearic Constants Washington DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)