3-Ethyltoluene

620-14-4

1-Ethyl-3-methylbenzene

M-ETHYLTOLUENE

1-Methyl-3-ethylbenzene

Benzene, 1-ethyl-3-methyl-

m-Ethylmethylbenzene

m-Methylethylbenzene

Toluene, m-ethyl-

3-Methylethylbenzene

3-Ethyl-d5-toluene

NSC 74176

1-Ethyl-3-methyl-benzene

CHEMBL31274

737PTD7O7E

DTXSID6050386

CHEBI:77512

NSC-74176

3-Ethyltoluene 100 microg/mL in Methanol

3-ethyl-1-methylbenzene

EINECS 210-626-8

UNII-737PTD7O7E

m-Ethyl_toluene

meta-Ethyltoluene

3-ethylmethylbenzene

1,3-methylethylbenzene

3-Ethyltoluene, 97%

3-Ethyltoluene, 99%

ETHYLTOLUENE, M-

Benzene, 3-ethyl-1-methyl-

BIDD:ER0585

DTXCID807876

1-ETHYL 3-METHYL BENZENE

NSC74176

Tox21_202857

BBL103656

BDBM50167946

MFCD00009259

STL557466

AKOS009158576

CS-W013572

MCULE-5855615432

NCGC00260403-01

CAS-620-14-4

DB-054039

E0185

NS00002303

EN300-32024

F11740

A868581

Q27105073

Z337707758

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

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)

1,2,4-TRIMETHYLBENZENE

95-63-6

Pseudocumene

Pseudocumol

Psi-cumene

as-Trimethylbenzene

1,3,4-Trimethylbenzene

Benzene, 1,2,4-trimethyl-

Uns-trimethylbenzene

1,2,5-Trimethylbenzene

Asymmetrical trimethylbenzene

.psi.-Cumene

pseudo-cumene

1,2,4-trimethyl-benzene

1,2,4-Trimethyl benzene

Benzene, 1,2,5-trimethyl-

NSC 65600

DTXSID6021402

CHEBI:34039

NSC-65600

34X0W8052F

DTXCID701402

CAS-95-63-6

1,2,4-Trimethylbenzene, analytical standard

HSDB 5293

EINECS 202-436-9

pseudo cumene

AI3-03976

CCRIS 8146

UNII-34X0W8052F

1,4-Trimethylbenzene

PSUEDO-CUMENE

laquo Psiraquo -Cumene

METHYL-P-XYLENE

Benzene,2,4-trimethyl-

PSEUDOCUMENE [MI]

1,2,5-trimethyl-benzene

1,2, 4-Trimethylbenzene

EC 202-436-9

BIDD:ER0682

TRIMETHYLBENZENE [INCI]

1.2.4-TRIMETHYLBENZENE

CHEMBL1797280

WLN: 1R B1 D1

1,2,4-Trimethylbenzene, 98%

21 - VOCs (Perkin Elmer tubes)

NSC65600

TRIMETHYLBENZENE, 1,2,4-

Tox21_200518

Tox21_300049

MFCD00008527

STL268868

06C - Benzene, Toluene and Xylenes

AKOS000120059

1,2,4-Trimethylbenzene (pseudocumene)

MCULE-5935311187

1,2,4-TRIMETHYLBENZENE [HSDB]

NCGC00247891-01

NCGC00247891-02

NCGC00254118-01

NCGC00258072-01

PS-11947

1,2,4-Trimethylbenzene (ACD/Name 4.0)

NS00006467

S0662

T0469

EN300-20076

A937622

Q376994

1,2,4-Trimethylbenzene 100 microg/mL in Methanol

F0001-2275

Z104476700

1,2,4-Trimethylbenzene, certified reference material, TraceCERT(R)

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

XBZ

The Henry's Law constant for 1,2,4-trimethylbenzene was measured as 6.16X10-3 atm-cu m/mol(1). This value indicates that 1,2,4-trimethylbenzene will volatilize from moist soil and water surfaces(2). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is approximately 3 hours(SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is approximately 4 days(SRC). Volatilization of 1,2,4-trimethylbenzene from dry soil surfaces is expected(SRC) based upon its vapor pressure of 2.1 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) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Literature: #Complete removal of 1,2,4-trimethylbenzene (at 0.068 ug/mL soil extract) from sandy loam soil samples contaminated with jet fuel was reported within 5 days; sterile samples with 1,2,4-trimethylbenzene at 0.057 ug/mL soil extract also showed complete removal of this compound within 5 days, probably through evaporation(1). Jet fuel added to water (and then stirred) had an average volatilization ratio (volatilization rate constant of the compound/oxygen reaeration rate constant) of 0.59 for JP-4 fuel and a ratio of 0.45 for JP-8 fuel for the 1,2,4-trimethylbenzene component, indicating high volatility of this compound from water(2).
Literature: (1) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993) (2) Smith JH, Harper JC; pp. 336-53 in Proceed 12th Conf on Environ Toxicol 3, 4, and 5. Nov. 1981. Airforce Aerospace Medical Research Lab. Ohio (1982)

A Koc value of 537 was measured for 1,2,4-trimethylbenzene in a German soil (80.5% sand 12.3% silt, 7.2% clay, 2.48% organic carbon). According to a suggested classification scheme(2), this Koc value suggests that 1,2,4-trimethylbenzene will have low mobility in soil(SRC).
Literature: (1) Brusseau ML; Environ Toxicol Chem 12: 1835-46 (1993) (2) Swann RL et al; Res Rev 85: 23 (1983)

octane

n-octane

111-65-9

Oktan

Oktanen

Ottani

n-Oktan

Oktanen [Dutch]

Oktan [Polish]

Ottani [Italian]

HSDB 108

UNII-X1RV0B2FJV

X1RV0B2FJV

NSC 9822

EINECS 203-892-1

DTXSID0026882

CHEBI:17590

AI3-28789

NSC-9822

MFCD00009556

DTXCID406882

CH3-[CH2]6-CH3

EC 203-892-1

Heptane, methyl-

Octane, all isomers

CH3-(CH2)6-CH3

octano

Normal octane

normal-Octane

octan

Octanes

Octil

MG8

OTTANE

OCTANE [INCI]

N-OCTANE [HSDB]

OCTANE [MI]

bmse000480

Octane, analytical standard

WLN: 8H

Octane, anhydrous, >=99%

Octane, reagent grade, 98%

n-C8H18

Octane, p.a., 99.0%

CHEMBL134886

NSC9822

Octane; NSC 9822; n-Octane

Tox21_202452

c0044

LMFA11000002

AKOS015904009

MCULE-3248084959

NCGC00249228-01

NCGC00260001-01

CAS-111-65-9

LS-13532

NS00006444

O0022

O0118

O0151

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

C01387

Q150681

J-002613

F0001-0244

EEE64B73-0375-4303-AFD5-0795361807FF

InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H

Octane, electronic grade, >=99.999% metals basis, >=99% (CP)

31372-91-5

9065-92-3

The Henry's Law constant for n-octane is estimated as 3.2 atm-cu m/mole(SRC) derived from its vapor pressure, 14.1 mm Hg(1), and water solubility, 0.66 mg/L(2). This Henry's Law constant indicates that n-octane 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 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 4.2 days(SRC). Volatilization from water surfaces may be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 11 months if adsorption is considered(4). However, in a study using a jet fuel mixture and sterile freshwater controls from the Escambia River (Florida), a 99% loss of n-octane was attributed to evaporation at 25 deg C(5). n-Octane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The disappearance of n-octane was rapid in soil/water mixture (concentration of soil, 25 g/150 mL)(6); an initial concentration of 0.177 ug/mL n-octane disappeared completely in 5 days using a sterile sandy loam soil with an organic matter content of 5.1%(6). The potential for volatilization of n-octane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Houston, TX: Gulf Pub Co. 3: 78 (1994) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 536 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987) (5) Spain JC et al; Degrad of Jet Fuel Hydrocarbons by Aquatic Microbial Communities. Tyndall AFB, FL: Air Force Eng Serv Ctr. AFESC/ESL-TR-83-26 (NTIS AD-A139791/8) p 226 (1983) (6) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)

The Koc of n-octane is estimated as 3.1X10+4(SRC), using a log Kow of 5.18(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-octane is expected to be immobile in soil. Freundlich absorption coefficients of log 4.04 and log 3.49 were measured in Oberlausitz lignite (11.1% moisture content; 53.5 wt% carbon content; 0.6 wt % nitrogen content) and Pahokee peat soil (10.2% moisture content; 46.1 wt% carbon content; 3.3 wt % nitrogen content), respectively(4). Gaseous transport of volatile n-octane in unsaturated porous media was shown to be influenced by air-water interfacial adsorption and water-partitioning(5). Sorption of n-octane from air to snow was measured, resulting in a sorption coefficient of log -4.41 cu m/sq m at -6.8 deg C(6).
Literature: (1) Miller MM et al; Environ Sci Technol 19:522-9 (1985) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Oct 30, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Endo S et al; Environ Sci Technol 42): 5897-5903 (2008) (5) Kim H et al; Environ Sci Technol 35: 4457-62 (2001) (6) Roth CM et al; Environ Sci Technol 38: 4078-84 (2004)

Diethylene glycol monoethyl ether

2-(2-Ethoxyethoxy)ethanol

111-90-0

CARBITOL

Transcutol

Ethoxydiglycol

Ethoxy diglycol

Ethyl carbitol

2(2-Ethoxyethoxy)ethanol

Dioxitol

Ethyl digol

Carbitol solvent

Transcutol P

Ethanol, 2-(2-ethoxyethoxy)-

Solvolsol

Losungsmittel apv

Dowanol DE

Diethylene glycol ethyl ether

Carbitol cellosolve

Diglycol monoethyl ether

DEGMEE

Ektasolve DE

Ethyl diethylene glycol

3,6-Dioxa-1-octanol

Dowanol 17

Karbitol

2-(2-Ethoxyethoxy) ethanol

Diethyleneglycol monoethyl ether

Ethylene diglycol monoethyl ether

Monoethyl ether of diethylene glycol

3,6-Dioxa-1-oktanol

Aethyldiaethylenglycol

HSDB 51

2-(Ethoxyethoxy)ethanol

O-Ethyldigol

Ethanol, 2,2'-oxybis-, monoethyl ether

EINECS 203-919-7

UNII-A1A1I8X02B

NSC 408451

PM 1799

BRN 1736441

A1A1I8X02B

DTXSID2021941

CHEBI:40572

AI3-01740

3,6-Dioxaoctan-1-ol

NSC-408451

1-Hydroxy-3,6-dioxaoctane

DTXCID501941

EC 203-919-7

MFCD00002872

Diethylene glycol monoethyl ether [NF]

Karbitol [Czech]

149818-01-9

2-(2-Ethoxyethoxy)-ethanol

Diethylene glycol monoethyl ether (NF)

Acetamide, N-5-(1,2-dihydroxyethyl)-4-hydroxy-3-pyrrolidinyl-, monohydrochloride, 3S-3.alpha.,4.beta

AE3

CAS-111-90-0

Aethyldiaethylenglycol [German]

DIETHYLENE GLYCOL MONOETHYL ETHER (II)

DIETHYLENE GLYCOL MONOETHYL ETHER [II]

3,6-Dioxa-1-oktanol [Czech]

DIETHYLENE GLYCOL MONOETHYL ETHER (USP-RS)

DIETHYLENE GLYCOL MONOETHYL ETHER [USP-RS]

DIETHYLENE GLYCOL MONOETHYL ETHER (EP MONOGRAPH)

DIETHYLENE GLYCOL MONOETHYL ETHER [EP MONOGRAPH]

Ethyldiglycol

Ethyldigol

Diethoxol

2-(2-ethoxyethoxy)ethan-1-ol

Eastman DE

Ethyl Di-Icinol

DEGEE

(Ethoxyethoxy)ethanol

2-(2ethoxyethoxy)ethanol

PEG-3EO

3, 6-Dioxa-1-octanol

CARBITOL SOLVENT LOW

diethyleneglycolmonoethylether

ETHYLDIETHYLENE GLYCOL

2-(2'-ethoxyethoxy)ethanol

SCHEMBL16399

2-(beta-Ethoxyethoxy)ethanol

ETHOXYDIGLYCOL [INCI]

diethyleneglycol monoethylether

WLN: Q2O2O2

2-(2-ethoxy-ethoxy)-ethanol

Di(ethylene glycol) ethyl ether

2-(.beta.-Ethoxyethoxy)ethanol

2-(2-ETHOXY) ETHANOL

CHEMBL1230841

diethylene glycol-monoethyl ether

Polyethylene glycol-3-ethoxylate

Tox21_200413

Tox21_300080

Ethanol,2'-oxybis-, monoethyl ether

NSC408451

STL453580

AKOS009031390

MCULE-8940886567

DIETHYLENE GLYCOL MONOETHYL ESTER

Ehanol, 2,2'-oxybis-, monoethyl ether

NCGC00247898-01

NCGC00247898-02

NCGC00254003-01

NCGC00257967-01

Di(ethylene glycol) ethyl ether, >=99%

Diethylene glycol monoethyl ether, >=99%

CS-0015134

E0048

NS00004749

DIETHYLENE GLYCOL MONOETHYL ETHER [MI]

EN300-19319

D08904

D72502

DIETHYLENE GLYCOL MONOETHYL ETHER [HSDB]

A802441

DIETHYLENE GLYCOL MONOETHYL ETHER [WHO-DD]

Q416399

J-505606

Diethylene glycol monoethyl ether, ReagentPlus(R), 99%

Diethylene glycol monoethyl ether, SAJ first grade, >=98.0%

Diethylene glycol monoethyl ether; 2-(2-Ethoxyethoxy)ethanol

Diethylene glycol monoethyl ether, Vetec(TM) reagent grade, 99%

Diethylene glycol monoethyl ether, United States Pharmacopeia (USP) Reference Standard

The Henry's Law constant for diethylene glycol monoethyl ether is estimated as 2.2X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.126 mm Hg(1), and assigned value for water solubility of 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that diethylene glycol monoethyl ether is expected to be essentially nonvolatile from water surfaces(3). The potential for volatilization of diethylene glycol monoethyl ether from dry soil surfaces may exist(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) Riddick JA et al; Organic Solvents NY: John Wiley & Sons Inc (1984) (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 diethylene glycol monoethyl ether is estimated as 12(SRC), using a log Kow of -0.54(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethylene glycol monoethyl ether is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 25 (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: 17-28 (1983)

2-(2-Butoxyethoxy)ethanol

112-34-5

Butyldiglycol

DIETHYLENE GLYCOL MONOBUTYL ETHER

Diethylene glycol butyl ether

Butyl carbitol

Butoxydiglycol

Ethanol, 2-(2-butoxyethoxy)-

Butyl diglycol

Butyl dioxitol

Butyl digol

Butoxyethoxyethanol

BUCB

Dowanol DB

Glycol ether DB

Jeffersol db

Ektasolve DB

Butoxydiethylene glycol

Diglycol monobutyl ether

O-Butyl diethylene glycol

Diethylene glycol mono-n-butyl ether

Butoxy diethylene glycol

Diethylene glycol n-butyl ether

Diethylene gylcol monobutyl ether

NSC 407762

Ethanol, 2,2'-oxybis-, monobutyl ether

Monobutyl diethylene glycol ether

9TB90IYC0E

2-(2-butoxyethoxy)-ethanol

2-(2-n-Butoxyethoxy)ethanol

DTXSID8021519

NSC-407762

DTXCID001519

Caswell No. 121B

Caswell No. 125H

n-Butyl carbitol

Diethylene glycol butyl ether, >=99%

3,6-Dioxadecanol

CAS-112-34-5

CCRIS 5321

HSDB 333

2-(2-butoxyethoxy)ethan-1-ol

3,6-Dioxa-1-decanol

EINECS 203-961-6

UNII-9TB90IYC0E

EPA Pesticide Chemical Code 011502

BRN 1739225

Butadigol

AI3-01954

Butyl di-icinol

Diethylene DB

Ethanol 2-butoxyethoxy

Butyl Oxitol glycol ether

2-(n-Butoxyethoxy)ethanol

EC 203-961-6

SCHEMBL15619

BUTOXYDIGLYCOL [INCI]

Diethylene glycol butyl ester

diethyleneglycol monobutylether

diethyleneglycol n-butyl ether

WLN: Q2O2O4

diethyleneglycol monobutyl ether

CHEMBL1904721

diethylene glycol-monobutyl ether

CHEBI:195270

Tox21_202404

Tox21_300084

Ethanol,2'-oxybis-, monobutyl ether

MFCD00002881

NSC407762

AKOS009156535

MCULE-9776383171

Diethylene glycol monobutyl ether, 98%

NCGC00164235-01

NCGC00164235-02

NCGC00164235-03

NCGC00253937-01

NCGC00259953-01

LS-13547

B0699

NS00007962

DIETHYLENE GLYCOL MONOBUTYL ETHER [MI]

EN300-206638

F71187

A802556

DIETHYLENE GLYCOL MONO-N-BUTYL ETHER [HSDB]

Diethylene glycol monobutyl ether, >=98.0% (GC)

J-002756

J-519970

Q1018210

Diethylene glycol butyl ether, SAJ special grade, >=99.0%

Diethylene glycol monobutyl ether, for surfactant analysis, >=99.0%

The Henry's Law constant for diethylene glycol mono-n-butyl ether has been measured as 7.2X10-9 atm-cu m/mole(1). This Henry's Law constant indicates that diethylene glycol mono-n-butyl ether is expected to be essentially nonvolatile from water surfaces(2). Diethylene glycol mono-n-butyl ether is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0219 mm Hg(3).
Literature: (1) Kim BR et al; Water Environ Res 72:65-74 (2000) (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; Data Compilation, Tables of Properties of Pure Cmpds, Design Inst for Phys Prop Data, Am Inst for Phys Prop Data, New York, NY (1989)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of diethylene glycol mono-n-butyl ether can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that diethylene glycol mono-n-butyl ether 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 Aug 17, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

2-METHYLNAPHTHALENE

91-57-6

beta-Methylnaphthalene

Naphthalene, 2-methyl-

.beta.-Methylnaphthalene

Naphthalene, beta-methyl-

2-methyl-naphthalene

beta-methyl naphthalenes

S8MCX3C16H

CHEMBL195895

DTXSID4020878

CHEBI:50720

NSC-3575

C11H10

MFCD00004118

NAPHTALENE,2-METHYL MFC11 H10

7419-61-6

HSDB 5274

2-Methylnaphthalene, analytical standard

2-Naphthylmethyl radical

NSC 3575

EINECS 202-078-3

UNII-S8MCX3C16H

AI3-17554

Naphthalene, 2-methyl-; 2-Methylnaphthalene; NSC 3575; ?-Methylnaphthalene

2-methyInaphthalene

|A-Methylnaphthalene

2-methyl naphthalene

2-?Methylnaphthalene

Methyl-2-naphthalene

naphthalene, 2-methyl

beta-methyl-naphthalene

bmse000537

EC 202-078-3

DTXCID60878

WLN: L66J C1

NSC3575

2-Methylnaphthalene (beta), 97%

AMY39000

Tox21_200839

AC-615

BDBM50159241

STL283950

AKOS000120035

MCULE-4388510802

CAS-91-57-6

NCGC00091415-01

NCGC00091415-02

NCGC00258393-01

BS-22305

DB-002463

M0372

NS00002503

EN300-20114

2-Methylnaphthalene 10 microg/mL in Cyclohexane

2-Methylnaphthalene 10 microg/mL in Acetonitrile

Q2813819

W-100305

2-Methylnaphthalene 1000 microg/mL in Dichloromethane

Z104476894

InChI=1/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H

The Henry's Law constant for 2-methylnaphthalene is reported as 5.18X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that 2-methylnaphthalene is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5.5 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 5.3 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 41-78 days when adsorption is considered(3). 2-Methylnaphthalene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Methylnaphthalene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.055 mm Hg(4).
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) US EPA; EXAMS II Computer Simulation (1987) (4) Karyakin NV et al; Zh Fiz Khim 42: 1814-16 (1968)

A log Koc value of 3.67 was reported in soil(1). An average sediment- or soil-water partition coefficient (log Kp) for 2-methylnaphthalene of 2.00 was determined from 17 measurements(2). The log Koc values for 2-methylnaphthalene in 75 sediment samples was 3.00-5.96(3). Measured Koc values have been reported as 4,400(4) and 8,500(5) for 2-methylnaphthalene. According to a classification scheme(6), these Koc values suggest that 2-methylnaphthalene is expected to have slight to no mobility in soil.
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Vowles PD, Mantoura RFC; Chemosphere 16: 109-16 (1987) (3) Hawthorne SB et al; Environ Toxicol Chem 25: 2901-11 (2006) (4) Sabljic A et al; Chemosphere 31: 4489-4514 (1995) (5) Sabljic A, Protic M; Bull Environ Contam Toxicol 28: 162-5 (1982) (6) Swann RL et al; Res Rev 85: 17-28 (1983)

1-METHYLNAPHTHALENE

90-12-0

METHYLNAPHTHALENE

alpha-Methylnaphthalene

1321-94-4

Naphthalene, 1-methyl-

Naphthalene, methyl-

1-methyl-naphthalene

1-Methylnapththalene

alpha-methyl naphthalenes

Methyl naphthalene

FEMA No. 3193

.alpha.-Methylnaphthalene

Methyl-1-naphthalene

CHEMBL383808

DTXSID9020877

CHEBI:50717

E7SK1Y1311

NSC-3574

MFCD00004034

DTXCID30877

FEMA Number 3193

Naphthalene, alpha-methyl-

1-Methylnaphthalene, analytical standard

CAS-90-12-0

1-Methyl naphthalene

CCRIS 6151

HSDB 5268

NSC 3574

EINECS 201-966-8

UNII-E7SK1Y1311

AI3-15378

methyl-naphthalene

1-methylnaphtalene

Naphthalene, 1-methyl-; 1-Methylnaphthalene; Mechinafu H; Methynaph H; NSC 3574; ?-Methylnaphthalene

MECHINAFU H

METHYNAPH H

naphthalene, 1-methyl

alpha-methyl-naphthalene

bmse000531

EC 201-966-8

1-Methylnaphthalene, 95%

1-Methylnaphthalene, 96%

MLS001050152

BIDD:ER0662

1-Methylnaphthalene, >=95%

WLN: L66J B1

FEMA 3193

DTXSID10225161

NSC3574

1-METHYLNAPHTHALENE [FHFI]

1-METHYLNAPHTHALENE [HSDB]

AMY38999

Tox21_201768

Tox21_300339

BDBM50159279

STL283953

AKOS000120012

MCULE-4027275839

NCGC00091700-01

NCGC00091700-02

NCGC00091700-03

NCGC00254488-01

NCGC00259317-01

PD124014

SMR001216533

DB-049234

DB-078596

M0371

NS00002590

EN300-19783

1-Methylnaphthalene 10 microg/mL in Cyclohexane

1-Methylnaphthalene 10 microg/mL in Acetonitrile

A806392

A843450

Q161656

J-505002

Z104475342

1-Methylnaphthalene, TraceCERT(R), certified reference material

InChI=1/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H

The Henry's Law constants for 1- and 2-methylnaphthalene are 5.14X10-4 and 5.18X10-4 atm-cu m/mole, respectively(1). These Henry's Law constants indicate that methylnaphthalenes are expected to volatilize from water surfaces(2). Based on these Henry's Law constants, 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 5.5 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 5.3 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 23 to 78 days if adsorption is considered(4). The Henry's Law constants for 1- and 2-methylnaphthalene indicate that volatilization from moist soil surfaces may occur(SRC). Methylnaphthalenes are not expected to volatilize from dry soil surfaces(SRC) based upon vapor pressures of 0.067 mm Hg(5) and 0.055 mm Hg(6) for 1- and 2-methylnaphthalene, respectively.
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) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jan 5, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (4) US EPA; EXAMS II Computer Simulation (1987) (5) Macknick AB, Prausnitz JM; J Chem Eng Data 24: 175-8 (1979) (6) Karyakin NV et al; Zh Fiz Khim 42: 1814-16 (1968)
Literature: #The Henry's Law constant for 1-methylnaphthalene is reported as 5.14X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that 1-methylnaphthalene is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5.5 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 5.3 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 23-41 days if adsorption is considered(3). 1-Methylnaphthalene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Methylnaphthalene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.067 mm Hg(4).
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) US EPA; EXAMS II Computer Simulation (1987) (4) Macknick AB, Prausnitz JM; J Chem Eng Data 24: 175-8 (1979)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of methylnaphthalenes can be estimated to be 2530(SRC). However, 1-methylnaphthalene has reported Koc values of 2290(2) and 4400(3) and 2-methylnaphthalene has a reported Koc value of 4350(2) and measured Koc value of 8500(3). According to a classification scheme(4), these Koc values suggest that methylnaphthalenes are expected to have slight to no mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jan 5, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Sabljic A et al; Chemosphere 31: 4489-514 (1995) (3) Sabljic A, Protic M; Bull Environ Contam Toxicol 28: 162-5 (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #A log Koc value of 3.36 was reported in soil(1). An average log Kp for 1-methylnaphthalene of 1.96 was determined from 17 measurements(2). The log Koc values for 1-methylnaphthalene in 88 sediment samples were 2.76-5.78(3). According to a classification scheme(4), these Koc values suggest that 1-methylnaphthalene is expected to have slight to no mobility in soil. The logarithmic sorption coefficient of 1-methylnaphthalene to snow was 5.79(5).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Vowles PD, Mantoura RFC; Chemosphere 16: 109-16 (1987) (3) Hawthorne SB et al; Environ Toxicol Chem 25: 2901-11 (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Roth CM et al; Environ Sci Technol 38: 4078-84 (2004)

1,2,3,4-Tetrahydronaphthalene

TETRALIN

119-64-2

Benzocyclohexane

Tetrahydronaphthalene

Bacticin

Tetraline

Tetranap

Naphthalene, 1,2,3,4-tetrahydro-

Tetralina

Naphthalene 1,2,3,4-tetrahydride

tetralene

NSC 77451

FT6XMI58YQ

DTXSID1026118

Naphthalene, tetrahydro-

CHEBI:35008

1,2,3,4-tetrahydro-naphthalene

MFCD00001733

NSC-77451

68412-24-8

Tetralina [Polish]

DTXCID306118

Caswell No. 842A

CAS-119-64-2

CCRIS 3564

HSDB 127

delta(sup 5,7,9)-naphthantriene

EINECS 204-340-2

UNII-FT6XMI58YQ

1,2,3,4-Tetrahydronaphthalene, reagent grade, >=97%

EPA Pesticide Chemical Code 055901

AI3-01257

Tetralin solvent

EINECS 270-178-4

TETRALIN [HSDB]

TETRALIN [MI]

bmse000530

TETRALIN [USP-RS]

TETRALIN [WHO-DD]

EC 204-340-2

NCIOpen2_000650

1,3,4-Tetrahydronaphthalene

1,2,3,4-tetrahydronapthalene

5,6,7,8-tetrahydronaphthalene

CHEMBL1575635

Naphthalene 1,3,4-tetrahydride

WLN: L66 & TJ

.delta.(5,7,9)-Naphthantriene

.delta.(sup 5,9)-Naphthantriene

Naphthalene-1,2,3,4-tetrahydride

NSC77451

Tox21_201793

Tox21_303325

STL264224

.delta.(sup 5,7,9)-Naphthantriene

AKOS000121383

NCGC00091744-01

NCGC00091744-02

NCGC00256948-01

NCGC00259342-01

DB-300892

NS00008482

T0107

T0713

EN300-21134

1,2,3,4-Tetrahydronaphthalene, anhydrous, 99%

Q420416

1,2,3,4-Tetrahydronaphthalene, analytical standard

W-108503

1,2,3,4-Tetrahydronaphthalene, ReagentPlus(R), 99%

F1908-0164

1,2,3,4-Tetrahydronaphthalene, Vetec(TM) reagent grade, 98%

InChI=1/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H

The Henry's Law constant for tetralin can be estimated to be approximately 1.7X10-3 atm-cu m/mole at 25 deg C using a chemical structure estimation method(2). According to a suggested classification scheme(1), volatilization from water will be significant. Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 4 hours(1,SRC). The volatilization half-life from a model lake (1 meter deep) can be estimated to be about 5 days(1,SRC). Tetralin exhibited a half-life attributed to volatilization of 8.5 days in a mesocosm containing 13 cu-m Narragansett seawater poisoned with HgCl2 to retard biological activity(3).
Literature: (1) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 4-9, 5-4, 5-10, 7-4, 7-5, 15-15 to 15-32 (1990) (2) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (3) Wakeham SG et al; Environ Sci Technol 17: 611-7 (1983)

A Koc for tetralin of about 1,800 can be estimated using a structure activity relationship(1). Based on a suggested classification scheme(2), this Koc value suggests that tetralin has low mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

HEPTANE

n-Heptane

142-82-5

Heptan

Heptyl hydride

Dipropyl methane

Dipropylmethane

Gettysolve-C

Skellysolve C

Heptanen

Eptani

HSDB 90

NSC 62784

Heptanes

EINECS 205-563-8

UNII-456148SDMJ

Heptane (GC grade)

DTXSID6024127

CHEBI:43098

AI3-28784

456148SDMJ

MFCD00009544

NSC-62784

DTXCID004127

EC 205-563-8

HEPTANE (II)

HEPTANE [II]

Pentane, ethyl-

Heptan [Polish]

Eptani [Italian]

Heptanen [Dutch]

normal-Heptane

HP6

UN1206

normal heptane

heptan-e

2ygu

Heptane; Dipropylmethane; Heptyl hydride; NSC 62784; Skellysolve C; n-Heptane

high purity heptane

pharma grade heptane

Heptane, for HPLC

n-Heptane, anhydrous

industry grade heptane

n-Heptane, 99%

n-Heptane HPLC grade

HPLC Grade n-Heptane

n-Heptane, HPLC grade

HEPTANE [HSDB]

HEPTANE [INCI]

Heptane, 99.5%

Heptane, technical grade

HEPTANE (N)

N-HEPTANE [MI]

HEPTANE [USP-RS]

Heptane, anhydrous, 99%

Exxsol heptane (Salt/Mix)

Heptane, p.a., 95%

pharmaceutical grade heptane

Heptane, Laboratory Reagent

Heptane, analytical standard

Heptane, AR, >=99%

Heptane, LR, >=99%

WLN: 7H

Heptane, ASTM, 99.8%

n-C7H16

Heptane, p.a., 95.0%

n-Heptane, Environmental Grade

CHEMBL134658

Heptane, for HPLC, >=96%

Heptane, for HPLC, >=99%

CH3-(CH2)5-CH3

DTXSID60187245

DTXSID80188294

Heptane, HPLC grade, >=99%

Heptane, ReagentPlus(R), 99%

Heptane, purification grade, 99%

Heptane, >=99% (capillary GC)

Heptane, biotech. grade, >=99%

Heptanes (30-40 % n-heptane)

AMY22304

Heptane, for HPLC, >=99.5%

NSC62784

Tox21_201213

Heptane, puriss., >=99% (GC)

LMFA11000575

AKOS009158011

Heptane, p.a., 88.0-92.0%

Heptane, UV HPLC spectroscopic, 95%

MCULE-5817084747

Heptane, SAJ first grade, >=98.0%

Heptane, spectrophotometric grade, 99%

Heptane, SAJ special grade, >=99.0%

NCGC00248959-01

NCGC00258765-01

CAS-142-82-5

Heptane, UV HPLC spectroscopic, 99.5%

Heptanes [UN1206] [Flammable liquid]

LS-13366

n-Heptane 100 microg/mL in Acetonitrile

H0027

H0088

H0491

Heptane, puriss. p.a., >=99.5% (GC)

NS00004625

Q0037

A807968

Heptane, for preparative HPLC, >=99.7% (GC)

Q310957

J-007700

n-Heptane HPLC, UV-IR min. 99%, isocratic grade

n-Heptane, Spectrophotometric Grade, 99% n-Heptan

F1908-0180

B7F4D751-FB0E-4F48-9829-D952CEC36530

Heptane, United States Pharmacopeia (USP) Reference Standard

InChI=1/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H

Heptane, Pharmaceutical Secondary Standard; Certified Reference Material

Heptane, PRA grade, 96% n-isomer basis, >=99.9% C7 isomers basis

Heptane, puriss. p.a., Reag. Ph. Eur., >=99% n-heptane basis (GC)

Heptane Fraction, puriss. p.a., Reag. Ph. Eur., >=99% n-heptane basis (GC)

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

The Henry's Law constant for n-heptane is estimated as 1.8 atm-cu m/mole(SRC) derived from its vapor pressure, 46 mm Hg(1), and water solubility, 3.4 mg/L(2). This Henry's Law constant indicates that n-heptane 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 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)(3) is estimated as 4.0 days(SRC). n-Heptane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of n-heptane from dry soil surfaces may exist(SRC) based upon a vapor pressure of 46 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) Yalkowsky,SH et al; Handbook of Aqueous Solubility Data. 2nd Edition. Boca Raton, FL: CRC Press, p. 437 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #In a study quantifying the passive volatilization of a synthetic gasoline and its individual components in three air-dried soils over a period of up to 16 days, n-heptane had a volatilization half-life of approximately 10 hours in a loamy sand at a depth of 50 mm(1). Using different soil types, n-heptane, at a depth of 50 mm, volatilized first from sand, followed by a loamy sand and finally a silt loam, showing that as the particle size of the soil decreased and the clay and organic content matter increased, the volatilization rate decreased(1). Complete volatilization of n-heptane from a tray containing a gasoline pool thickness of 7 mm at a temperature of 18.5 deg C occurred after approximately 5.6 hours(1). In a study in which a jet fuel mixture was incubated in freshwater from the Escambia River, FL at 25 deg C, a 99% loss of n-heptane in the controls was attributed to evaporation(2). n-Heptane as a component of missile fuel was also lost to volatilization within 5 hours when incubated with water from the Range Point salt marsh, FL(3). n-Heptane degradation was observed in active and sterile sandy loam treated with JP-4 jet fuel (10 uL per gram of soil)(4). The concentration of n-heptane at 0 time was 0.277 ug/mL in the active soil and 0.235 ug/mL in the sterile soil while the concentrations in both soils were 0 ug/mL when they were tested a second time after 5 days; evaporation was considered to be the primary removal process(4).
Literature: (1) Arthurs P et al; J Soil Contam 4: 123-35 (1995) (2) Spain JC et al; Degrad of Jet Fuel Hydrocarbons by Aquatic Microbial Communities. Tyndall AFB, FL: Air Force Eng Serv Ctr AFESC/ESL-TR-83-26 NTIS AD-A139791/8 p. 226 (1983) (3) Spain JC, Somerville CC; Chemosphere 14: 239-48 (1985) (4) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-heptane can be estimated to be 240(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-heptane is expected to have moderate mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of October 1, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

OCTADECANE

n-Octadecane

593-45-3

Octadecan

Oktadekan

UNII-N102P6HAIU

N102P6HAIU

CCRIS 681

1-(4-Chlorophenyl)-1,3-dihydro-2H-indol-2-one

TS Paraffin TS 8

NSC 4201

NSC-4201

EINECS 209-790-3

128271-18-1

AI3-06523

DTXSID9047172

CHEBI:32926

HSDB 8348

EC 209-790-3

CACTUS NORMAL PARAFFIN TS 8

Octadecane, 99%

MFCD00009007

Octadecane, analytical standard

CH3-(CH2)16-CH3

CH3-[CH2]16-CH3

Octadecane, n-

OCTADECANE [INCI]

DTXCID7027172

NSC4201

HY-N6600

LMFA11000581

AKOS015903064

MCULE-2392852814

Octadecane, purum, >=97.0% (GC)

AS-56224

CS-0034329

NS00010781

O0003

Q150900

379E5588-B955-4C35-88E0-21E7DF38DE0E

InChI=1/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H

The Henry's Law constant for octadecane is estimated as 1.9X10-2 atm-cu m/mole(1) from its vapor pressure, 3.41X10-4 mm Hg(2), and water solubility, 6.0X10-3 mg/L(3). This Henry's Law constant indicates that octadecane is expected to volatilize rapidly from water surfaces(4). 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)(1) is estimated as 1.7 hours 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)(1) is estimated as 6.3 days(SRC). However, adsorption to suspended solids and sediment is expected to attenuate volatilization(SRC). The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(5). Octadecane has a vapor pressure of 3.41X10-4 mm Hg and exists as a liquid under environmental conditions; therefore, octadecane may volatilize from dry soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 9, 2016: http://www2.epa.gov/tsca-screening-tools (2) Jensen TS; PhD Thesis: Petroleum hydrocarbons: compositional changes during biodegradation and transport in unsaturated soil. Roskilde, Denmark: Ministry of the Environment and Energy, National Environmental Research (1994) (3) Yalkowsky SH, et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 1184 (2010) (4) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (5) US EPA; EXAMS II Computer Simulation (1987)

The Koc of octadecane is 2.2X10+7(1). According to a classification scheme(2), this Koc value suggests that octadecane is expected to be immobile in soil.
Literature: (1) Jensen TS; PhD Thesis: Petroleum hydrocarbons: compositional changes during biodegradation and transport in unsaturated soil. Roskilde, Denmark: Ministry of the Environment and Energy, National Environmental Research (1994) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

3-(3-methoxypropoxy)propan-1-ol

112-28-7

1-Propanol, 3-(3-methoxypropoxy)-

3-(3-Methoxypropoxy)propanol

3-(3-Methoxypropoxy)-1-propanol

101750-15-6

Caswell No. 551D

Propanol, methoxypropoxy-

EINECS 203-954-8

EPA Pesticide Chemical Code 011508

SCHEMBL642382

dipropyleneglycol monomethylether

dipropyleneglycolmonomethyl ether

DTXSID4074809

?Dipropylene glycol monomethyl ether

MFCD00059604

AKOS009157081

DB-228332

NS00023625

F71205

A1-32795

Dipropylene Glycol Monomethyl Ether (mixture of isomers)

2-Butoxyethanol

111-76-2

Butoxyethanol

ETHYLENE GLYCOL MONOBUTYL ETHER

Butyl glycol

Butyl cellosolve

n-Butoxyethanol

Ethylene glycol butyl ether

Ethanol, 2-butoxy-

Butyl oxitol

Dowanol EB

2-butoxyethan-1-ol

Glycol butyl ether

Glycol ether eb

3-Oxa-1-heptanol

EGBE

2-Butoxy-1-ethanol

Gafcol EB

2-n-Butoxyethanol

O-Butyl ethylene glycol

Jeffersol eb

Butyl cellu-sol

BUCS

Ektasolve EB

Glycol monobutyl ether

Chimec NR

2-Butoxy ethanol

2-Butossi-etanolo

2-Butoxy-aethanol

Butylcelosolv

Butylglycol

Butoksyetylowy alkohol

2-Butoxy-ethanol

Ethylene glycol n-butyl ether

9004-77-7

EGMBE

Monobutyl glycol ether

Monobutyl ether of ethylene glycol

Ethylene glycol mono-n-butyl ether

n-Butyl Cellosolve

.beta.-Butoxyethanol

Butyl monoether glycol

Butyglycol

Monobutyl ethylene glycol ether

2-n-Butoxy-1-ethanol

Ether alcohol

Ethylene glycol, monobutyl ether

Butyl icinol

Minex BDH

NSC 60759

2-Hydroxyethyl n-butyl ether

ethyleneglycol monobutyl ether

2-Butoxyethanol (ethylene glycol monobutyl ether)

2-Butoxyethan(ol-d)

2-Butoxyethanol--d4

Eter monobutilico del etilenglicol

I0P9XEZ9WV

Butyl 2-hydroxyethyl ether

Ether monobutylique de l'ethyleneglycol

DTXSID1024097

CHEBI:63921

NSC-60759

2-BUTOXY(ETHANOL-13C2)

DTXCID904097

Butylcelosolv [Czech]

Caswell No. 121

butylcellosolve

g lycol ether eb

beta-Butoxyethanol

2 -Butoxyethanol

Butylglycol [French,German]

2-Butoxy-aethanol [German]

CAS-111-76-2

SMR001253761

2-Butossi-etanolo [Italian]

Butoxyethanol, 2-

Ektasolve EB solvent

CCRIS 5985

HSDB 538

Butoksyetylowy alkohol [Polish]

Ek tasolve EB solvent

Glycol ether eb acetate

EINECS 203-905-0

UNII-I0P9XEZ9WV

UN2369

n-butoxyethanol sodium salt

EPA Pesticide Chemical Code 011501

BRN 1732511

Butyloxitol

AI3-0993

AI3-09903

Eter monobutilico del etilenglicol [Spanish]

Ethylene glycol mono butyl ether

EB Solvent

Ether monobutylique de l'ethyleneglycol [French]

3-oxaheptan-1-ol

2-(n-Butoxy)ethanol

BuOCH2CH2OH

2-(1-Butyloxy) ethanol

EC 203-905-0

EC 500-012-0

Aethylenglycolmonobuthylaether

BUTOXYETHANOL [INCI]

2-Butoxy-aethanol(GERMAN)

SCHEMBL15712

Ethyleneglycol-monobutyl ether

MLS002174253

MLS002454362

WLN: Q2O4

BUTYL CELLOSOLVE [MI]

Butyglycol(FRENCH, GERMAN)

Ethylene glycol monobutyl ether (EGBE)(2-Butoxyet)

ethylene glycol-monobutyl ether

CHEMBL284588

QSPL 003

2-BUTOXYETHANOL [IARC]

2-BUTOXYETHANOL [VANDF]

2-BUTOXY ETHANOL (ETHYLENE GLYCOL MONOBUTYL ETHER)

Ethylene glycol butyl ether, 99%

2-butoxyethanol (butyl cellosolve)

NSC60759

Tox21_202399

Tox21_300123

MFCD00002884

Ethylene glycol butyl ether, >=99%

AKOS009028760

MCULE-4417721312

NCGC00090683-01

NCGC00090683-02

NCGC00090683-03

NCGC00090683-04

NCGC00090683-05

NCGC00254083-01

NCGC00259948-01

LS-13220

B0698

NS00003129

EN300-19317

C19355

Ethylene glycol butyl ether, analytical standard

ETHYLENE GLYCOL MONO-N-BUTYL ETHER [HSDB]

Q421557

Ethylene glycol butyl ether, for synthesis, 99.0%

J-508565

Ethylene glycol butyl ether, SAJ first grade, >=99.0%

Ethylene glycol butyl ether, spectrophotometric grade, >=99.0%

Ethylene glycol monobutyl ether [UN2369] [Keep away from food]

The Henry's Law constant for ethylene glycol mono-n-butyl ether is 1.6X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that ethylene glycol mono-n-butyl ether may 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 17 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 185 days(SRC). The Henry's law constant of ethylene glycol mono-n-butyl ether indicates that volatilization from moist soil surfaces may occur(SRC). Ethylene glycol mono-n-butyl ether is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.88 mm Hg(3).
Literature: (1) Johanson G, Dynesius B; Brit J Indust Med 45: 561-564 (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) Dow Chemical Company; The Glycol Ethers Handbook. Midland, MI: The Dow Chemical Company pp. 97 (1990)

The Koc of ethylene glycol mono-n-butyl ether is estimated as 8(SRC), using a log Kow of 0.83(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that ethylene glycol mono-n-butyl ether is expected to have high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 25 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Sept 23, 2011: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Nonan-1-ol

1-Nonanol

143-08-8

Nonanol

NONYL ALCOHOL

n-Nonyl alcohol

Pelargonic alcohol

1-Hydroxynonane

Nonalol

Octyl carbinol

n-Nonanol

n-Nonan-1-ol

Alcohol C-9

Nonylalkohol

Pelargonalkohol

Alcohol C9

FEMA No. 2789

28473-21-4

NSC 5521

MFCD00002990

NGK73Q6XMC

DTXSID6022008

CHEBI:35986

NSC-5521

C9 alcohol

HSDB 5145

EINECS 205-583-7

UNII-NGK73Q6XMC

BRN 0969213

nonanols

nonyl-alcohol

AI3-03962

N-nonyl-alcohol

EINECS 249-048-6

Nonanol-(1)

Nonyl alcohol, 8CI

1-Nonanol, 98%

EC 205-583-7

NONYL ALCOHOL [FCC]

SCHEMBL19807

NONYL ALCOHOL [FHFI]

NONYL ALCOHOL [HSDB]

WLN: Q9

4-01-00-01798 (Beilstein Handbook Reference)

BIDD:ER0370

CHEMBL24563

N-NONYL ALCOHOL [MI]

DTXCID402008

Nonyl alcohol, >=98%, FCC

BDBM22607

FEMA 2789

NSC5521

Tox21_300869

LMFA05000092

STL283956

AKOS009031412

CS-W009532

DB03143

HY-W008816

MCULE-4020281400

1-Nonanol, purum, >=98.0% (GC)

NCGC00248194-01

NCGC00254773-01

BP-31117

BS-42231

CAS-143-08-8

SY011469

N0292

NS00002633

EN300-19921

D70513

A808013

Q161662

J-007741

F0001-0508

Z104476100

2E051A08-F94E-40C2-88CA-7030E15C76BF

InChI=1/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H

The Henry's Law constant for 1-nonanol estimated as 3.08X10-5 atm-cu m/mol(SRC) derived from its vapor pressure, 2.27X10-2 mm Hg at 25 deg C(1), and water solubility, 140 mg/L(2). This Henry's Law constant indicates that 1-nonanol is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 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 15 days(SRC). 1-Nonanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Nonanol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Barton AFM; pp. 438 in Solubility Data Series Vol 15 (1984) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

An estimated BCF of 160 was calculated for 1-nonanol(SRC), using a log Kow of 3.77(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC).
Literature: (1) Barton AFM; pp. 438 in Solubility Data Series Vol 15 (1984) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 4, Eqn 4-5 (1982)

Heptanal

Heptaldehyde

111-71-7

Enanthaldehyde

n-Heptaldehyde

Enanthal

N-HEPTANAL

Heptyl aldehyde

Heptanaldehyde

Oenanthaldehyde

n-Heptylaldehyde

Oenanthal

Oenanthol

Enanthic aldehyde

Enanthole

Oenanthic aldehyde

Aldehyde C-7

Heptylaldehyde

1-Heptanal

Heptanal (natural)

1-Heptaldehyde

FEMA No. 2540

FEMA Number 2541

n-C6H13CHO

NSC 2190

CCRIS 6041

HSDB 6026

heptan-1-al

EINECS 203-898-4

UNII-92N104S3HF

BRN 1560236

Heptanal-d14

DTXSID0021597

CHEBI:34787

AI3-02066

92N104S3HF

NSC-2190

CHEMBL18104

DTXCID601597

HEPTANAL (ALDEHYDE C-7)

EC 203-898-4

1246819-97-5

CAS-111-71-7

UN3056

Oenanthole

?Heptaldehyde

MFCD00007028

Heptaldehyde, 95%

HEPTANAL [FHFI]

HEPTANAL [FCC]

HEPTANAL [MI]

n-Heptaldehyde [UN3056] [Flammable liquid]

N-HEPTANAL [HSDB]

WLN: VH6

FEMA NUMBER 2540

SCHEMBL22542

BIDD:ER0302

FEMA 2540

Heptaldehyde, analytical standard

NSC2190

Heptanal, >=95%, FCC, FG

STR02180

Tox21_202173

Tox21_302779

BDBM50028829

LMFA06000001

STL453624

AKOS000121137

MCULE-5251820425

Heptaldehyde, technical, >=95% (GC)

NCGC00091807-01

NCGC00091807-02

NCGC00256491-01

NCGC00259722-01

DB-041000

H0025

NS00008989

EN300-24060

n-Heptaldehyde [UN3056] [Flammable liquid]

A802402

Q425827

J-002620

J-521429

F2190-0613

InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H

The Henry's Law constant for heptanal is 2.7X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that n-heptanal 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 7 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 5 days(SRC). n-Heptanal's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Heptanal is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.52 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (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; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989)

The Koc of n-heptanal is estimated as 86(SRC), using a water solubility of 1250 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-heptanal is expected to have high mobility in soil.
Literature: (1) Suzuki T; J Computer-Aided Molecular Design 5:149-66 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)