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)

phenylacetaldehyde

2-phenylacetaldehyde

122-78-1

Benzeneacetaldehyde

Hyacinthin

Phenylethanal

alpha-Tolualdehyde

2-Phenylethanal

Phenylacetic aldehyde

Oxophenylethane

alpha-Toluic aldehyde

Acetaldehyde, phenyl-

Benzylcarboxaldehyde

1-Oxo-2-phenylethane

Phenacetaldehyde

phenyl acetaldehyde

phenyl-Acetaldehyde

.alpha.-Tolualdehyde

Benzacetaldehyde

Phenylacetaldehyde (natural)

alpha-Phenylacetaldehyde

Benzenacetaldehyde

.alpha.-Toluic aldehyde

FEMA No. 2974

UNII-U8J5PLW9MR

NSC 406309

U8J5PLW9MR

EINECS 204-574-5

alpha-Tolyaldehyde

Acetaldehyde, phenyl- (8CI)

DTXSID3021483

CHEBI:16424

AI3-02175

NSC-406309

a-Tolyaldehyde

DTXCID501483

FEMA NO. 2874

CAS-122-78-1

benzeneethanal

a-Tolualdehyde

2-phenylethanone

a-toluic aldehyde

Phenylacetoaldehyde

benzene acetaldehyde

a-Phenylacetaldehyde

2-phenyl-acetaldehyde

bmse000427

NCIOpen2_003602

Phenylacetaldehyde, >=90%

SCHEMBL18972

PHENYLACETALDEHYDE [MI]

PHENYLACETALDEHYDE [FCC]

CHEMBL1233464

PHENYLACETALDEHYDE [FHFI]

STR00412

Tox21_201582

Tox21_302945

MFCD00006993

NSC406309

s9357

AKOS000119316

CCG-266073

CS-W011205

DB02178

HY-W010489

MCULE-3725701027

Phenylacetaldehyde, >=95%, FCC, FG

NCGC00249076-01

NCGC00256522-01

NCGC00259131-01

DB-041686

NS00013128

P0119

EN300-18996

C00601

D78329

10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1

A804962

Q424998

doi:10.14272/DTUQWGWMVIHBKE-UHFFFAOYSA-N.1

Q-201558

F2190-0653

Z104472146

D60A2590-0A65-4BA8-A05B-D8423408535C

InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H

2,4-Di-tert-butylphenol

96-76-4

2,4-DI-T-BUTYLPHENOL

Antioxidant No. 33

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

Prodox 146

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

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

2,4-bis(tert-butyl)phenol

2,4-ditert-butylphenol

Prodox 146A-85X

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

2,4-tert-butylphenol

MFCD00008828

NSC 174502

2,4-Di-tert-butylphenol-d18

FOB94G6HZT

2,4-di-tert-butyl phenol

2,4-Di-tert-butyl-phenol

2,4-di~{tert}-butylphenol

CHEMBL29873

DTXSID2026602

2,4-Di-tert-butylhydroxybenzene

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

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

NSC-174502

DTXCID606602

1246816-88-5

CAS-96-76-4

2,4-ditert-butyl-phenol

EINECS 202-532-0

UNII-FOB94G6HZT

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

BRN 1910383

2,4-DTBP

2,4-ditertbutylphenol

2,4-di-tertbutylphenol

2,4di-tert-butylphenol

,4-Di-tert-butylphenol

2,4-di-t-butyl-phenol

2,4-di-tert.butylphenol

2,4-di-tertbutyl phenol

2,4-ditert-butyl phenol

2,4-ditertiarybutylphenol

Phenol,4-di-tert-butyl-

AGIDOL 10

EC 202-532-0

?2,4-Di-tert-butylphenol

2,4-Di-tert.-butylphenol

2,4-ditertiary-butyl phenol

SCHEMBL109921

CHEBI:89188

HSDB 8453

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

BCP24012

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

Tox21_202320

Tox21_300114

BDBM50409544

NSC174502

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

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

AKOS003669719

CS-W015305

HY-W014589

MCULE-6010467095

NCGC00164059-01

NCGC00164059-02

NCGC00164059-03

NCGC00254167-01

NCGC00259869-01

AS-13983

PD158314

2,4-Ditert-butylphenol (ACD/Name 4.0)

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

D0229

NS00010683

EN300-20927

E76999

A845633

Q-200191

Q26840829

2,4-Di-tert-butylphenol 100 microg/mL in Acetonitrile

F0001-2302

(2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-4-amino-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-butyl]carbamoyl]-3

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

UGW

The Henry's Law constant for 2,4-di-tert-butylphenol is estimated as 3.7X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 4.77X10-3(1) and water solubilty, 35 mg/L(2). This Henry's Law constant indicates that 2,4-di-tert-butylphenol 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)(3) is estimated as 1.6 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 16 days(SRC). 2,4-Di-tert-butylphenol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 120 months if adsorption is considered(4). 2,4-Di-tert-butylphenol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure(1).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,4-di-tert-butylphenol can be estimated to be 9000(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,4-di-tert-butylphenol is expected to be immobile in soil(SRC).

2-Ethyl-p-xylene

1758-88-9

2-ETHYL-1,4-DIMETHYLBENZENE

Benzene, 2-ethyl-1,4-dimethyl-

1,4-Dimethyl-2-ethylbenzene

2,5-Dimethylethylbenzene

p-Xylene, 2-ethyl-

1-Ethyl-2,5-dimethylbenzene

NSC74186

EINECS 217-158-3

NSC 74186

1,4-Dimethyl-2-ethyl benzene

1,4-dimethyl-2-ethyl-benzene

DTXSID0061951

BAA75888

MFCD00059233

NSC-74186

AKOS016846194

DS-2976

MCULE-3174879044

CS-0206595

E0279

NS00025774

T71937

A881547

Q63391958

InChI=1/C10H14/c1-4-10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H

4-Ethyltoluene

1-Ethyl-4-methylbenzene

622-96-8

P-ETHYLTOLUENE

Benzene, 1-ethyl-4-methyl-

Toluene, p-ethyl-

4-Methylethylbenzene

p-Ethylmethylbenzene

p-Methylethylbenzene

1-Methyl-4-ethylbenzene

1-Ethyl-4-methyl-benzene

para-Ethyltoluene

NSC 74177

G6JY83VLB5

CHEMBL195384

DTXSID9029194

MFCD00009263

NSC-74177

Ethyltoluene, p-

EINECS 210-761-2

p-ethyl toluene

AI3-28772

CCRIS 8525

1,4-methylethylbenzene

4-ethyl-1-methylbenzene

4-Ethyltoluene 100 microg/mL in Methanol

para-ethyl-methyl-benzene

UNII-G6JY83VLB5

Benzene, 1-methyl-4-ethyl-

DTXCID409194

WLN: 2R D1

1-ETHYL 4-METHYL BENZENE

NSC74177

Tox21_200472

BDBM50167943

4-Ethyltoluene, >=95.0% (GC)

AKOS015889277

4-Ethyltoluene, technical grade, 90%

MCULE-9537190030

NCGC00248643-01

NCGC00258026-01

AC-22323

CAS-622-96-8

SY035727

DB-073085

AM20040885

E0186

NS00002700

A26230

EN300-220464

F14879

J-504608

Q24300547

Z1255434762

InChI=1/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H

O-CYMENE

2-Isopropyltoluene

527-84-4

o-Cymol

1-Isopropyl-2-methylbenzene

o-Isopropyltoluene

CYMENE, ORTHO

1-Methyl-2-isopropylbenzene

1-methyl-2-propan-2-ylbenzene

1-Methyl-2-(1-methylethyl)benzene

ortho-cymene

1-Methyl-2-isopropylbenzol

Benzene, methyl(1-methylethyl)-

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

HSDB 3427

EINECS 208-426-0

NSC 73976

BRN 1850838

UNII-2T13HF3266

NSC-73976

2T13HF3266

1-methyl,2-n-isopropylbenzene

25155-15-1

1-(1-methylethyl)-2-methylbenzene

4-05-00-01057 (Beilstein Handbook Reference)

1-Methyl-2-(1-methylethyl)-benzene

2-Isopropyltoluene 100 microg/mL in Acetonitrile

isopropyl toluene

cymene (ortho-)

o-Cymene, 98%

2-Methylisopropylbenzene

O-ISOPROPELTOLUENE

O-CYMENE [MI]

O-Mentha-1,3,5-triene

DTXSID1052165

CHEBI:89263

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

NSC73976

MFCD00008888

AKOS015840505

UN 2046

BS-52939

1-Methyl-2-(1-methylethyl)benzene, 9CI

o-Cymene [UN2046] [Flammable liquid]

CS-0368263

NS00010825

T71005

Q27161449

The Henry's Law constant for o-cymene is estimated as 0.011 atm-cu m/mole(SRC) derived from its vapor pressure, 1.5 mm Hg(1), and water solubility, 23.29 mg/L(2). This Henry's Law constant indicates that o-cymene 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 3.5 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)(3) is estimated as 4.6 days(SRC). o-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). o-Cymene is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Okouchi S et al; Environ Int 18: 249-61 (1992) (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 o-cymene can be estimated to be 1140(SRC). According to a classification scheme(2), this estimated Koc value suggests that o-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 5, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

1,2,3-TRIMETHYLBENZENE

526-73-8

Hemimellitene

Trimethylbenzene

Hemellitol

Hemimellitol

Benzene, 1,2,3-trimethyl-

25551-13-7

ZK4R7UPH6R

1,2,3-trimethyl-benzene

DTXSID8047769

CHEBI:34037

NSC-5167

1,3-Trimethylbenzene

Hemimellitene, 90.5%

Benzene,2,3-trimethyl-

Trimethyl benzene

1,2,3-Trimethylbenzene 100 microg/mL in Methanol

WLN: 1R B1 C1

1,3-Trimethylbenzene, 90.5%

TRIMETHYLBENZENES

HSDB 6830

NSC 5167

1,2,3-Trimethylbenzene, 90.5%

EINECS 208-394-8

EINECS 247-099-9

UNII-ZK4R7UPH6R

BRN 1903410

Trimethylbenzene, 1,2,3-

CCRIS 8145

UNII-A3F3279Q14

HSDB 7551

Benzene, 1,2,3-trimethyl-; 1,2,3-Trimethylbenzene; Hemimellitene; Hemimellitol; NSC 5167; NSC 65599

1,2,3-TrimethyIbenzene

HEMIMELLITENE [HSDB]

4-05-00-01007 (Beilstein Handbook Reference)

BIDD:ER0517

CHEMBL1797279

DTXCID7027750

DTXSID6049808

CHEBI:38641

NSC5167

1,2,3-TRIMETHYL BENZENE

AMY25707

NSC65599

1,2,3-Trimethylbenzene (>90%)

Tox21_303868

MFCD00008520

NSC-65599

AKOS009031505

MCULE-1130443786

1,2,3-Trimethylbenzene (>90per cent)

NCGC00357131-01

CAS-526-73-8

DB-246429

1,2,3-Trimethylbenzene, analytical standard

NS00010824

T0468

EN300-19373

1,2,3-Trimethylbenzene, technical grade, 90%

A829196

Q4352416

W-105806

F0001-1357

Z104473658

InChI=1/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H

The Henry's Law constant for 1,2,3-trimethylbenzene is 4.36X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 1,2,3-trimethylbenzene 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 3.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.4 days(SRC). 1,2,3-Trimethylbenzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1,2,3-Trimethylbenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.69 mm Hg(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55:1054-62 (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) Yaws CL; IN: Handbook of Vapor Pressure V3 C8-C28 Compounds p. 124 (1994)

1,2,3-Trimethylbenzene has measured log Koc values of 3.04(1) and 2.80(2-5). These values correspond to Koc values of 1,096 and 630. 1,2,3-Trimethylbenzene also has a reported log Kom value of 2.80(6-7). According to a classification scheme(8), these Koc values suggest that 1,2,3-trimethylbenzene is expected to have low mobility in soil(SRC).
Literature: (1) Borisover MD, Graber ER; Chemosphere 34: 1761-76 (1997) (2) Gao C et al; Environ Toxicol Chem 15: 1089-96 (1996) (3) Park JH, Lee HJ; Chemosphere 26: 1905-16 (1993) (4) Sabljic A et al; Chemosphere 31: 4489-514 (1995) (5) Xu F et al; J Environ Qual 30: 1618-23 (2001) (6) Okouchi S, Saegusa H; Bull Chem Soc Jpn 62: 922-4 (1989) (7) Sabljic A; Environ Sci Technol 21: 358-66 (1987) (8) Swann RL et al; Res Rev 85: 17-28 (1983)

MESITYLENE

1,3,5-Trimethylbenzene

108-67-8

sym-Trimethylbenzene

3,5-Dimethyltoluene

Fleet-X

Trimethylbenzol

Benzene, 1,3,5-trimethyl-

s-Trimethylbenzene

2,4,6-trimethylbenzene

NSC 9273

Trimethylbenzene, 1,3,5-

HSDB 92

1,3,5-trimethyl-benzene

EINECS 203-604-4

UNII-887L18KQ6X

CCRIS 8147

DTXSID6026797

CHEBI:34833

AI3-23973

887L18KQ6X

NSC-9273

DTXCID506797

EC 203-604-4

CAS-108-67-8

UN2325

Symmetrical trimethylbenzene

Mesitylene, 98%

MESITELENE

MESITYLENE [MI]

MESITYLENE [HSDB]

MESITYLENE [INCI]

1,3, 5-Trimethylbenzene

(3,5-dimethylphenyl)methyl

BIDD:ER0286

Mesitylene (ACD/Name 4.0)

Mesitylene, analytical standard

CHEMBL1797281

WLN: 1R C1 E1

Mesitylene, reagent grade, 97%

NSC9273

BENZENE,1,3,5-TRIMETHYL

DTXSID601311725

STR03436

Tox21_201452

Tox21_300341

MFCD00008538

STL268905

1,3,5-Trimethylbenzene (Mesitylene)

AKOS000120144

MCULE-4050779572

Mesitylene, purum, >=98.0% (GC)

UN 2325

NCGC00247999-01

NCGC00247999-02

NCGC00254430-01

NCGC00259003-01

NS00004224

S0658

T0470

EN300-19371

A801911

Q425161

J-002179

J-521685

1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]

F0001-0175

Mesitylene, certified reference material, TraceCERT(R)

Z104473654

InChI=1/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H

19121-63-2

The Henry's Law constant for 1,3,5-trimethylbenzene was measured as 8.77X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 1,3,5-trimethylbenzene 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 1.2 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 4.4 days(SRC). 1,3,5-Trimethylbenzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1,3,5-Trimethylbenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.48 mm Hg(3). Residence times (with respect to volatilization) for 1,3,5-trimethylbenzene were calculated as 220 hours for both winter and summer conditions in Narragansett Bay(4). Complete removal of 1,3,5-trimethylbenzene (at 0.035 ug/ml soil extract) from sandy loam soil samples contaminated with jet fuel was reported within 5 days; sterile samples with 1,3,5-trimethylbenzene at 0.035 ug/ml soil extract also showed complete removal of this compound within 5 days, probably by evaporation(5).
Literature: (1) Sanemasa,I et al; Bull Chem Soc Jpn 55: 1054-62 (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. Washington, DC: Taylor and Francis (1989) (4) Wakeham SG et al; Canad J Fish Aquat Sci 40: 304-21 (1983) (5) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)

The Koc of 1,3,5-trimethylbenzene has been measured at a range of 501-1,445(1-4). According to a classification scheme(5), this Koc range suggests that 1,3,5-trimethylbenzene is expected to have low mobility in soil. 1,3,5-Trimethylbenzene was detected in soil leachate samples following the addition of crude oil to the surface of a soil trough filled with sand(6).
Literature: (1) Schwarzenbach RP, Westall J; Environ Sci Technol 15: 1360-67 (1981) (2) Borisover MD et al; Chemosphere 34: 1761-1776 (1997) (3) Wiedemeier TH et al; Ground Water Monit Remed 16: 186-194 (1996) (4) XU F et al; J Environ Qual 30: 1618-1623 (2001) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Duffy JJ et al; Environ Internat 3: 107-120 (1980)

M-XYLENE

1,3-Dimethylbenzene

108-38-3

1,3-Xylene

meta-Xylene

m-Xylol

m-Dimethylbenzene

m-Methyltoluene

Benzene, 1,3-dimethyl-

3-Xylene

1,3-Dimethylbenzol

Santosol 150

m-Xylenes

2,4-Xylene

CCRIS 907

NSC 61769

HSDB 135

UNII-O9XS864HTE

EINECS 203-576-3

O9XS864HTE

DTXSID6026298

CHEBI:28488

AI3-08916

NSC-61769

CHEMBL286727

DTXCID501446

EC 203-576-3

M-XYLENE-ALPHA,ALPHA'-13C2

MFCD00008536

68908-87-2

Xylene, m-

Benzene, m-dimethyl-

CAS-108-38-3

EINECS 272-684-0

metaxylene

M xylene

1,3-dimethyl-benzene

m-Xylene [UN1307] [Flammable liquid]

DSSTox_CID_1446

M-XYLENE [MI]

3-XYLENE [HSDB]

bmse000554

DSSTox_RID_76162

DSSTox_GSID_21446

m-Xylene, analytical standard

BENZENE,1,3-DIMETHYL

WLN: 1R C1

m-Xylene, anhydrous, >=99%

m-Xylene, for synthesis, 99%

DTXSID50178041

m-Xylene, ReagentPlus(R), 99%

NSC61769

m-Xylene 10 microg/mL in Methanol

Tox21_200292

Tox21_202056

Tox21_303203

BDBM50008556

STL268867

m-Xylene 100 microg/mL in Methanol

AKOS000121123

MCULE-9376558510

NCGC00091711-01

NCGC00091711-02

NCGC00091711-03

NCGC00257052-01

NCGC00257846-01

NCGC00259605-01

m-Xylene, SAJ first grade, >=98.5%

CAS-1330-20-7

NS00010709

NS00125194

S0648

X0013

EN300-24548

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

C07208

J-503933

Q3234708

F1908-0174

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

m-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for 3-xylene is measured as 7.18X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 3-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). 3-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 3-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.29 mm Hg at 25 deg C(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55: 1054-62 (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) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Literature: #An experiment which measured the rate of evaporation of m- and p-xylene from a 1:1000 jet fuel:water mixture found that it averaged 0.64 times the oxygen reaeration rate(1).
Literature: (1) Smith JH, Harper JC; pp.336-53 in 12th Conf Environ Toxicol: Behavior of Hydrocarbon Fuels in the Aquatic Environment (1980)

A Koc value of 166 was measured for 3-xylene using sandy aquifer materials with an foc ranging from 0.0002 to 0.0225(1). Measured Koc values in soil have been reported to be 182(2), 166 and 275(3). According to a classification scheme(3), these Koc values suggest that 3-xylene is expected to have moderate mobility in soil. A Kp value (equilibrium-sorption coefficient) of 0.049 was measured for 3-xylene using a Borden soil column (98% sand, 0.29% organic carbon)(5). Benzene/toluene/xylene mixtures containing 3-xylene, were added to soil columns using aquifer material from the Cohansey aquifer (90% sand; 4.4% organic matter; pH-3.8); a partition coefficient of 8.74 was measured for 3-xylene(6). Adsorption coefficient values of 0.25, 0.23, and 0.02 were measured for 3-xylene, present in a benzene/toluene/ethylbenzene/xylene mixture, on montmorillonite, illite, and kaolinite (all with low to no organic carbon present), respectively, using a batch equilibrium technique(7). More 3-xylene vapor was sorbed by air-dry than oven-dry soil (Evesham clay; air-dry soil contained 37 g organic C, 350 g clay, and 60 g water/kg oven-dry soil) at relative vapor pressures of 3-xylene exceeding 0.6; this suggests that the planar 3-xylene molecule is either readily adsorbed by interlayer sites in the air-dry soil (more sites potentially available than in oven-dry soil) or, as it is a fairly soluble molecule, that some will dissolve in the water film in air-dry soil(8). 3-Xylene has been observed to pass through soil unchanged in concentration at a dune-infiltration site on the Rhine River(9). A soil leaching column study estimated a 3-xylene Koc of 282 using a chromatographic methodology(10).
Literature: (1) Abdul AS et al; Hazard Waste & Hazard Mater 4: 211-22 (1987) (2) Sabljic A; Environ Sci Technol 21: 358-66 (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) Hu Q et al; Environ Toxicol Chem 14: 1133-40 (1995) (6) Uchrin CG, Katz J; Bull Environ Contam Toxicol 46: 534-41 (1991) (7) Li Y, Gupta G; Chemosphere 28: 627-38 (1994) (8) Nye PH et al; J Environ Qual 23: 1031-37 (1994) (9) Piet GJ et al; Quality of Groundwater Int Symp Proc Von Duijvanbouden W et al, eds. Studies Environ Sci 17: 557-64 (1981) (10) Xu F et al; J Environ Qual 30: 1618-1623 (2001)

Propylbenzene

N-PROPYLBENZENE

103-65-1

1-Phenylpropane

Phenylpropane

Isocumene

Benzene, propyl-

1-Propylbenzene

n-Propyl benzene

Propylbenzene, n-

propyl benzene

Propyl-benzene

NSC 16941

HSDB 5353

UNII-0WR86ZHG2Z

EINECS 203-132-9

0WR86ZHG2Z

DTXSID3042219

CHEBI:42630

AI3-23862

NSC-16941

CHEMBL286062

DTXCID1022219

Propylbenzene, analytical standard

UN2364

Propylbenzene (all isomers)

benzene, propyl

3H0

Benzene, n-propyl-

PRPH

Propylbenzene, 98%

BENZENE,PROPYL

PROPYLBENZENE [MI]

PHENYLPROPANE [INCI]

WLN: 3R

N-PROPYLBENZENE [HSDB]

Propylbenzene, >=99.0% (GC)

NSC16941

Tox21_300567

BDBM50167945

MFCD00009377

AKOS000120950

MCULE-1436126757

UN 2364

NCGC00248093-01

NCGC00254532-01

CAS-103-65-1

n-Propylbenzene 100 microg/mL in Methanol

NS00006753

P0523

S0656

EN300-20607

n-Propyl benzene [UN2364] [Flammable liquid]

A800778

Q288806

J-001016

J-523764

Z104479154

InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H

The Henry's Law constant for n-propylbenzene is 1.05X10-2 atm-cu m/mole(1). This Henry's Law constant indicates that n-propylbenzene 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 hour(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 days(SRC). Results of mesocosm studies simulating the Narragansett Bay indicate that volatilization is the major removal process from seawater(3); volatilization half-lives of 1.3-19 days were estimated for summer, spring and winter seasons(5). n-Propylbenzene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of n-propylbenzene from dry soil surfaces may exist(SRC) based upon it's vapor pressure of 3.42 mm Hg(4).

A Koc of 725 was measured for n-propylbenzene using a surface sediment collected from the Tamar estuary(1). A similar Koc of 676 was measured in a humic acid column via HPLC(2). Adsorption percentages ranging from 0.16 to 5.58% were measured in soil column studies using three different soil types and a sludge sample(3). Using a structure estimation method based on molecular connectivity indices(4), the Koc for n-propylbenzene can be estimated to be 955(SRC). According to a classification scheme(5), these estimated and measured Koc values suggest that n-propylbenzene is expected to have low mobility in soil.

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