acetate

Acetate Ion

Acetic acid, ion(1-)

71-50-1

Acetate ions

ethanoate

Acetate anion

Acetoxy ion

Acetate ion (1-)

Azetat

Acetic acid anion

MeCO2 anion

UNII-569DQM74SC

569DQM74SC

CH3-COO(-)

DTXSID1037694

CHEBI:30089

Ethanoat

Shotgun

Acetate Standard: CH3CO2- @ 1000 microg/mL in H2O

monoacetate

CHEMBL1354

(C2 H3 O)2-

racemic acetate

acetyl hydroxide

Acetic cid glacial

ACETATE [VANDF]

63 - Acetate & Iodide

100 - Acetate and Iodide

Acetate Standard: CH3CO2- @ 10000 microg/mL in H2O

DTXCID9017694

BDBM50159793

CMC_13391

STL282721

AKOS022101130

DB14511

Acetate - CH3CO2(-) @1000microg/mL

NS00114706

Q9154808

The Henry's Law constant for acetic acid has been experimentally determined to be 1.43X10-7 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that acetic acid is expected to be essentially nonvolatile from water surfaces(2). Acetic acid's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to be an important fate process(SRC). Acetic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 15.7 mm Hg at 25 deg C(3).
Literature: (1) Johnson BJ et al; J Atmos Chem 24: 113-119 (1996) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp (1989)

A log Koc of 0.00 (Koc = 1), which was derived from experimental measurements, has been reported for acetic acid(1,2). According to a classification scheme(3), this Koc value suggests that acetic acid is expected to have very high mobility in soil. No detectable sorption was measured for acetic acid using the OECD Guideline 106 method employing an acidic forest soil, pH 2.8, an agricultural soil, pH 6.7, and a lake sediment, pH 7.1(4). Adsorption of acetic acid to 3 nearshore marine sediments collected from three different locations resulted in Kd values of 0.65 (Koc = 228), 0.085 (Koc = 6.5) and 0.046 (Koc = 27) using clastic mud (3.5% organic carbon, pH 7.0), muddy sand (1.3% organic carbon, pH 7.7), and carbonate sand (0.17% organic carbon, pH 8.1), respectively(5). The pKa of acetic acid is 4.76(6), indicating that this compound will exist partially in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(7).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supplemental material) (2006) (2) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (5) Sansone JF et al; Geochimica et Cosmochimica Acta 51: 1889-1896 (1987) (6) Serjeant EP, Dempsey B; Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. New York, NY: Pergamon Press, p. 989 (1979) (7) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Literature: #In 24 hr aqueous adsorption studies using montmorillonite and kaolinite clay adsorbents, 2.4-30.4% of added acetic acid was observed to be in the adsorbed phase(1). In adsorption studies using the adsorbent hydroxyapatite (a mineral which occurs in the environment as a result of the diagenesis of skeletal apatite), only 5% of added acetic acid (in aqueous solution, pH 8.0) became adsorbed to the hydroxyapatite(2). Acetic acid has been noted to leach from biological disposal areas(3).
Literature: (1) Hemphill L, Swanson WS; Proc of the 18th Industrial Waste Conf, Eng Bull Purdue Univ, Lafayette IN 18: 204-17 (1964) (2) Gordon AS, Millero FJ; Microb Ecol 11: 289-98 (1985) (3) Abrams EF et al; Identification of Organic Compounds in Effluents from Industrial Sources. USEPA-560/3-75-002 p. 3 (1975)

dibutyl phthalate

84-74-2

Di-n-butyl phthalate

n-Butyl phthalate

Butyl phthalate

Genoplast B

Palatinol C

Celluflex DPB

DIBUTYLPHTHALATE

Unimoll DB

Staflex DBP

Elaol

Ergoplast FDB

Witcizer 300

Kodaflex DBP

Dibutyl 1,2-benzenedicarboxylate

Hexaplas M/B

Dibutyl-o-phthalate

Phthalic acid dibutyl ester

dibutyl benzene-1,2-dicarboxylate

1,2-Benzenedicarboxylic acid, dibutyl ester

DBP (ester)

dibutyl-phthalate

N-Butylphthalate

Ersoplast FDA

Uniflex DBP

Hatcol DBP

Phthalate, di-n-butyl

Dibutyl o-phthalate

RC Plasticizer DBP

Phthalic acid, dibutyl ester

Benzene-o-dicarboxylic acid di-n-butyl ester

o-Benzenedicarboxylic acid, dibutyl ester

Phthalate, dibutyl-

RCRA waste number U069

nutyl phthalate

Caswell No. 292

Monocizer dbp

Plasthall dbp

Vestinol c

Hatco dbp

Phthalate, Butyl

PX 104

Phthalic acid di-n-butyl ester

Phthalate, Dibutyl

Ruifeng vp 201

Corflex 440

NSC 6370

Di n Butyl Phthalate

ortho-Dibutyl phthalate

Yh-1bd2

CCRIS 2676

HSDB 922

Di-n-butylorthophthalate

Di-n-butylester kyseliny ftalove

DTXSID2021781

CHEBI:34687

Dibutyl-1,2-benzenedicarboxylate

Dibutylphthatlate

Palatinol DBP

NSC-6370

EINECS 201-557-4

di-n-butyl phthalate (DBuP)

EPA Pesticide Chemical Code 028001

UNII-2286E5R2KE

BRN 1914064

Morflex 240

o-Benzenedicarboxylic acid dibutyl ester

Uniplex 150

1,2-Benzenedicarboxylic acid dibutyl ester

Vp-201

2286E5R2KE

AI-3-00283

Benzenedicarboxylic acid dibutyl ester

CHEMBL272485

DTXCID301781

Benzene-o-dicarboxylic acid, di-n-butyl ester

NSC6370

EC 201-557-4

1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester

MFCD00009441

1,2-dibutyl benzene-1,2-dicarboxylate

Dibutyl ester of 1,2-benzenedicarboxylic acid

DIBUTYL PHTHALATE (II)

DIBUTYL PHTHALATE [II]

DIBUTYL PHTHALATE (MART.)

DIBUTYL PHTHALATE [MART.]

DIBUTYL PHTHALATE (USP-RS)

DIBUTYL PHTHALATE [USP-RS]

dibutyl phthalate (DBP)

CAS-84-74-2

DIBUTYL PHTHALATE (EP MONOGRAPH)

DIBUTYL PHTHALATE [EP MONOGRAPH]

RAPIDCELLtrade markP

Dibutyl phthalate [NF]

SR-05000001549

RCRA waste no. U069

Di-n-butylester kyseliny ftalove [Czech]

Bufa

Phthalic acid, bis-butyl ester

Ergoplast FOB

Synolate MD

Bisoflex DBP

Induflex DBP

Mollan B

Dibutyll phthalate

Ersoplast FDA.

Dibutyl 1,2-benzene-dicarboxylate

Hatcp DBP

phthalsauredibutylester

Benzenedicarboxylic acid, dibutyl ester

Ftalato di n-butanolo

Bis-N-butyl phthalate

Sicol 140

Spectrum_001975

Di(1-butyl) phthalate

Phthalsaeure dibutylester

SpecPlus_000628

Dibutyl phthalate, 99%

Spectrum3_000874

Spectrum4_000714

Spectrum5_002068

WITICIZER 300

Epitope ID:138714

WLN: 4OVR BVO2

Dibutyl phthalate, >=99%

SCHEMBL24051

BSPBio_002547

KBioGR_001267

KBioSS_002541

R!C. PLASTICIZER DBP

SPECTRUM330086

MLS002177802

BIDD:ER0641

DivK1c_006724

DIBUTYL PHTHALATE [MI]

GTPL6295

DIBUTYL PHTHALATE [HSDB]

DIBUTYL PHTHALATE [INCI]

KBio1_001668

KBio2_002532

KBio2_005100

KBio2_007668

KBio3_002047

BUTYL PHTHALATE [WHO-DD]

Dibutyl phthalate, AR, >=99%

Dibutyl phthalate, LR, >=98%

Dibutyl 1, 2-benzenedicarboxylate

Dibutyl-1,2-benzene-dicarboxylate

HMS2091E09

HMS3041E18

Pharmakon1600-00330086

BCP24796

HY-Y0304

Benzol-1,2-dicarbonsauredibutylester

Dibutyl phthalate, Selectophore(TM)

Tox21_201729

Tox21_300980

BBL011532

BDBM50371946

NSC755894

STL146650

AKOS005720807

Di(n-butyl) 1,2-benzenedicarboxylate

CCG-230933

DB13716

MCULE-8727957434

NSC-755894

USEPA/OPP Pesticide Code: 028001

NCGC00090769-01

NCGC00090769-02

NCGC00090769-03

NCGC00090769-04

NCGC00090769-05

NCGC00090769-06

NCGC00090769-07

NCGC00090769-08

NCGC00090769-09

NCGC00254882-01

NCGC00259278-01

SMR000777923

SBI-0052568.P002

CS-0013564

Dibutyl phthalate, ReagentPlus(R), >=99%

NS00010095

P0292

S5377

EN300-77394

1,2 Benzenedicarboxylic acid, di-n-butyl ester

Dibutyl phthalate, SAJ special grade, >=98.0%

1,2 Benzenedicarboxylic acid, bis(n-butyl) ester

Q415612

J-503795

SR-05000001549-1

SR-05000001549-3

BRD-K73477617-001-01-0

BRD-K73477617-001-04-4

Dibutyl phthalate, PESTANAL(R), analytical standard

F0001-2134

Z277540112

Dibutyl phthalate, certified reference material, TraceCERT(R)

Dibutyl phthalate, European Pharmacopoeia (EP) Reference Standard

Dibutyl phthalate, United States Pharmacopeia (USP) Reference Standard

Dibutyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for dibutyl phthalate is reported as 1.81X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that dibutyl phthalate 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 34 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 250 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 22 years if adsorption is considered(3). Dibutyl phthalate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dibutyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.01X10-5 mm Hg(4).
Literature: (1) Atlas E et al; Chemosphere 12: 1251-8 (1983) (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) Donovan SF; J Chromatogr A 749: 123-29 (1996)

A log Koc value of 3.14 was determined from measurements on soil samples from Broome County, NY(1-2). An experimental log Koc of 3.05 was determined from unsaturated soil columns(3). Dibutyl phthalate had measured log Koc values of 3.05-3.06 in Typic Haplaquept type loamy, sandy soil(4). According to a classification scheme(5), these Koc values suggest that dibutyl phthalate is expected to have low mobility in soil(SRC). A mean sediment log Koc value of 3.8 was calculated from the mean dibutyl phthalate concentration in water and suspended particulate matter from Lake Yssel, The Netherlands(6).
Literature: (1) Kookana RS, Rogers SL; Rev Environ Contam Pollut 142: 13-64 (1995) (2) Russel DJ, McDuffie B; Chemosphere 15: 1003-21 (1986) (3) Zurmuehl T et al; J Contam Hydrol 8: 111-33 (1991) (4) Zurmuehl T et al; J Contam Hydrol 8: 111-33 (1991) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Ritsema R et al; Chemosphere 18: 2161-75 (1989)

methyl salicylate

Methyl 2-hydroxybenzoate

119-36-8

Analgit

2-Carbomethoxyphenol

Gaultheriaoel

Wintergruenoel

Flucarmit

Exagien

2-Hydroxybenzoic acid methyl ester

Methyl o-hydroxybenzoate

Betula

2-(Methoxycarbonyl)phenol

methylsalicylate

Betula Lenta

Salicylic acid, methyl ester

Benzoic acid, 2-hydroxy-, methyl ester

FEMA No. 2745

68917-75-9

PredaLure

Caswell No. 577

Oils,wintergreen

Anthrapole ND

Methyl2-Hydroxybenzoate

NSC 8204

o-Hydroxybenzoic acid, methyl ester

FEMA Number 2745

Flavor,wintergreen

Ben Gay

Methyl-d3 salicylate-OD

Salicylic Acid Methyl Ester

Metylester kyseliny salicylove

MFCD00002214

CCRIS 6259

90045-28-6

HSDB 1935

NSC-8204

2-Hydroxybenzoic acid, methyl ester

EINECS 204-317-7

Methyl salicylate

UNII-LAV5U5022Y

MethylSalicylate-d3

EPA Pesticide Chemical Code 076601

BRN 0971516

FEMA No. 2154

FEMA No. 3113

1-O-methylsalicylate

LAV5U5022Y

DTXSID5025659

CHEBI:31832

AI3-00090

salicylate methyl ester

2-Hydroxy-benzoic acid methyl ester

68917-50-0

Methyl salicylate,synthetic

Methyl 2-Hydroxybenzoate--d4

DTXCID805659

EC 204-317-7

302912-49-8

4-10-00-00143 (Beilstein Handbook Reference)

135952-76-0

8024-54-2

NCGC00091106-02

SALONPAS COMPONENT METHYL SALICYLATE

METHYL SALICYLATE COMPONENT OF SALONPAS

METHYL SALICYLATE (II)

METHYL SALICYLATE [II]

METHYL SALICYLATE (MART.)

METHYL SALICYLATE [MART.]

Panalgesic

Theragesic

2,4-Cyclohexadien-1-one,6-(hydroxymethoxymethylene)-(9CI)

METHYL SALICYLATE (USP-RS)

METHYL SALICYLATE [USP-RS]

Methyl salicylate [JAN]

METHYL SALICYLATE (EP IMPURITY)

METHYL SALICYLATE [EP IMPURITY]

METHYL SALICYLATE (EP MONOGRAPH)

Methyl salicylate (natural)

METHYL SALICYLATE [EP MONOGRAPH]

CAS-119-36-8

1335435-40-9

Benzoic acid, hydroxy-, methyl ester

Metylester kyseliny salicylove [Czech]

Methylester kyseliny salicylove [Czech]

Wintergreen

Methyl salicylate [JAN:NF]

Milagroso

Ubredol

Kofal

Methylester kyseliny salicylove

Kofal Original

Kofal Fuerte

methyl-salicylate

Zenol Cool

Bumooly-S

Methylis salicylas

Ted s Pain

Hyundai Moolpas F

FlexSport Roll On

La Flecha Japonesa

Germa Ubre Mastitis

Ling Nam Hung Far

Koong Yick Hung Fa

Mascura la Vaca Plus

Natralia Cramp Relief

Aspi-RubPain Reliever

ReLeaf Arthritis Balm

Salonpas (Salt/Mix)

Methyl Salicylate 2%

XCEPTOR PAIN

Balsamo de UbreMascura

teds topical pain cream

Methyl Salicylate,(S)

Theragesic (Salt/Mix)

wintergreen leaf extract

Balsamo de Vaca Mascura

Methyl salicylate (TN)

Methyl Salicylate 10%

Methyl salicylate, 8CI

methyl-2-hydroxybenzoate

East Coast Joint Relief

Enamine_001611

Methyl salicylate, 98%

KRONA WART REMOVER

Abejas y Viboras Roll On

Germa Linimento Ubre Plus

Methyl salicylate, BioXtra

salicylic-acid methyl ester

WLN: QR BVO1

COATS ALOE ANALGESIC

WINTERGREEN [VANDF]

SCHEMBL5312

Methyl salicylate 100 microg/mL in Acetonitrile

Dermaline 3 in 1 Roll On

BIDD:ER0323

XCEPTOR CBD PAINMENTHOL

HYSAN HUA TUO MEDICATED

METHYL SALICYLATE [MI]

METHYL SALICYLATE, ALOE

CHEMBL108545

GTPL2431

Herb Street Sore Muscle Relief

Methyl salicylate (JP17/NF)

METHYL SALICYLATE [FCC]

Germa Manteca Ubre Plus (RED)

Germa Manteca Ubre Plus (TIN)

METHYL SALICYLATE [FHFI]

METHYL SALICYLATE [HSDB]

METHYL SALICYLATE [INCI]

FEMA 2745

METHYL SALICYLATE [VANDF]

NSC8204

HMS1398J05

HMS2089H12

HMS3885C04

O-hydroxybenzoic acid methyl ester

METHYL SALICYLATE [WHO-DD]

BCP29151

CS-B1799

Flexitol Foot and Knee Pain Relief

Germa Manteca Ubre Plus (YELLOW)

HY-Y0189

Methyl ester 2-hydroxy-benzoic acid

Tox21_111081

Tox21_201543

Tox21_300137

BBL010504

s3756

STK397388

Germa Linimento Ubre Plus (Roll-On)

Methyl salicylate, analytical standard

AKOS000118977

Neuro Max Pain and Muscle Relief Gel

Veneno de AbejaAceite De Vibora Brand

CCG-266225

DB09543

MCULE-5398249325

Methyl ester of 2-hydroxy-benzoic acid

METHYL SALICYLATE [ORANGE BOOK]

foot worksarthritis achy foot and muscle

Methyl salicylate, >=98%, FCC, FG

NCGC00091106-01

NCGC00091106-03

NCGC00091106-04

NCGC00091106-05

NCGC00254104-01

NCGC00259093-01

SUNSET PAIN RELIEF-HEATING RELIEF

AC-11584

SY008800

TS-02010

METHYL SALICYLATE,SYNTHETIC [VANDF]

DB-012808

DB-209477

Methyl salicylate, natural, 98%, FCC, FG

NS00008765

EN300-15491

Methyl salicylate, puriss., 99.0-100.5%

D01087

D70335

Methyl salicylate, SAJ first grade, >=98.0%

Methyl salicylate, tested according to Ph.Eur.

AB01275470-01

A804265

Methyl salicylate, ReagentPlus(R), >=99% (GC)

Methyl salicylate, Vetec(TM) reagent grade, 99%

Q407669

SR-05000001473

Q-100939

SR-05000001473-1

Z19703590

F0001-0306

InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H

Methyl salicylate, United States Pharmacopeia (USP) Reference Standard

Methyl salicylate, Pharmaceutical Secondary Standard; Certified Reference Material

9041-28-5

The Henry's Law constant for methyl salicylate is 9.3X10-7 atm-cu-m/mol(SRC) calculated from its vapor pressure, 0.0343 mm Hg(1), and water solubility, 7400 mg/L(2). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 49 days in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s(3). Similarly, the volatilization half-life of methyl salicylate from a model lake 1 m deep, with a 0.05 m/s current and a 0.5 m/s wind is estimated to be 359 days. Methyl salicylate sprayed onto air-dried soil volatilizes rapidly(4). The amount of chemical that is adsorbed to the soil, evaporates more slowly by a diffusion-controlled mechanism(4).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Riddick JA et al; Organic Solvents 4th ed; NY, NY: Wiley (1986) (3) Lyman WJ et al (eds); Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982) (4) Reichman R et al; Soil Sci 148: 191-8 (1989)

The Koc for methyl salicylate estimated from molecular structure is 128(1) and is 33(3,SRC) estimated from its water solubility, 7400 mg/L(2), using a regression equation. According to a suggested classification scheme(4), these low Koc values suggest that methyl salicylate would be highly or very highly mobile in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (2) Riddick JA et al; Organic Solvents 4th ed; NY, NY: Wiley (1986) (3) Lyman WJ et al ; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 4 (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983)

BORNYL ACETATE

92618-89-8

Isobornyl acetate

Borneol, acetate

1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate

5655-61-8

Bornyl acetic ether

2-Camphanol acetate

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate

125-12-2

L-(-)-Bornyl acetate

endo-2-Camphanyl ethanoate

bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate

D,L-Isobornyl Acetate

Acetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester

endo-bornyl acetate

MFCD00867808

exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate

NSC-407158

NCGC00159354-02

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate #

endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate

SCHEMBL117760

(+)-Acetic acid bornyl ester

CHEMBL1439452

DTXSID80859098

HMS3264P09

Pharmakon1600-01502510

BBL033932

NSC163480

NSC407158

NSC759844

STK079562

AKOS005392232

CCG-213841

MCULE-5021705670

NSC-163480

NSC-759844

NCGC00159354-03

NCGC00159354-06

NCI60_020169

VS-12345

DB-066148

DB-072157

CS-0313797

NS00009276

AB01563199_01

1,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate

SR-01000944256

SR-01000944256-1

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate

Bicyclo[2.2.1]heptan-2-ol,7,7-trimethyl-, acetate, endo-

endo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate

[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate

Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-,2-acetate,(1S,2R,4S)-

The Henry's Law constant for isobornyl acetate is estimated as 9.5X10-5 atm-cu m/mole(SRC) developed using a fragment constant estimation method(1). This Henry's Law constant indicates that isobornyl acetate 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 17 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 9.5 days(SRC). Isobornyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC).Isobornyl acetate has an estimated vapor pressure of 0.11 mm Hg(SRC), determined from a fragment constant method(13) and exists as a liquid under environmental conditions: therefore, isobornyl acetate may volatilize from dry soil(SRC). Isobornyl acetate dissipated within one week when added along with 21 other fragrance materials to a Georgetown, DE anaerobically digested municipal sludge and applied to four soils (sandy agricultural loam, silty midwestern agrigultural loam, high organic carbon soil, and a highly weathered oxide-rich soil)(3).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobornyl acetate can be estimated to be 420(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobornyl acetate is expected to moderate mobility in soil(SRC).

Texanol

25265-77-4

77-68-9

3-Hydroxy-2,2,4-trimethylpentyl isobutyrate

Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester

2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate

2,2,4-Trimethyl-1,3-pentanediolmono(2-methylpropanoate)

Isobutyraldehyde trimer

(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate

2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE

3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate

1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate

Isobutyric Acid 3-Hydroxy-2,2,4-trimethylpentyl Ester

2-Methyl-propanoic Acid 3-Hydroxy-2,2,4-trimethylpentyl Ester

9LJI14453C

UNII-9LJI14453C

Texanolesteralcohol

EINECS 201-049-2

component of Texanol

DSSTox_CID_7857

DSSTox_RID_78592

DSSTox_GSID_27857

SCHEMBL56321

CHEMBL3184970

DTXSID10872295

CHEBI:229355

Tox21_200148

MFCD00148967

AKOS015900105

CS-W014835

NCGC00164419-01

NCGC00248541-01

NCGC00257702-01

LS-14159

3-hydroxy-2,2,4-trimethylpentylisobutyrate

CAS-25265-77-4

DB-228221

I0405

NS00008484

3-hydroxy-2,2,4-trimethylpentyl 2-methylpropionate

J-506772

Q27272708

Isobutyric acid 2,2,4-trimethylpentane-1,3-diol ester

(+/-)-2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE

ISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER

2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE, (+/-)-

1185060-32-5

3-Hydroxy-2,2,4-trimethylpentyl Isobutyrate (contains ca. 40% 2,2,4-Trimethyl-1,3-pentanediol 3-monoisobutyrate)

Linalyl isobutyrate

78-35-3

Linalool isobutyrate

Linalyl 2-methylpropanoate

Linalool, isobutyrate

3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate

Isobutyric acid, linalyl ester

1,5-Dimethyl-1-vinyl-4-hexenyl isobutyrate

FEMA No. 2640

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

3,7-Dimethyl-1,6-octadienyl isobutyrate

3,7-Dimethyl-1,6-octadien-3-yl isobutyrate

NSC 46145

ISOBUTYRIC ACID, 1,5-DIMETHYL-1-VINYL-4-HEXENYL ESTER

1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate

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

3,7-Dimethyl-1,6-octadien-3-yl isobutanoate

Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester

3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate

1-Ethenyl-1,5-dimethyl-4-hexenyl 2-methylpropanoate

DTXSID6047490

(1)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate

NSC-46145

8867Y4G46L

Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester

3,7-Dimethylocta-1,6-dien-3-yl isobutyrate

1,5-Dimethyl-1-vinyl-4-hexenyl 2-methylpropanoate

Linalylisobutyrate

EINECS 201-108-2

EINECS 305-132-5

BRN 1726378

linalylisobutyrat

AI3-24264

UNII-8867Y4G46L

Linalol isobutyrate

Linalyl iso-Butyrate

Isobutyric acid, linalyl ester (6CI)

3,6-octadienyl isobutyrate

4-02-00-00849 (Beilstein Handbook Reference)

SCHEMBL560781

3,6-octadien-3-yl isobutyrate

CHEMBL3185164

DTXCID4027490

FEMA 2640

1, 3,7-dimethyl-, isobutyrate

LINALYL ISOBUTYRATE [FCC]

CHEBI:171776

LINALYL ISOBUTYRATE [FHFI]

NSC46145

Tox21_302721

AKOS015837556

CAS-78-35-3

NCGC00256753-01

AS-77518

3,7-Dimethyl-1, 6-octadienyl isobutyrate

WLN: 1Y1&VOX1&1U1&3UY1&1

DB-056304

NS00012795

3, 7-Dimethyl-1,6-octadien-3-yl isobutyrate

D93228

Isobutyric acid,5-dimethyl-1-vinyl-4-hexenyl ester

Q27269894

Propanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester

METHYL ACETATE

79-20-9

Methyl ethanoate

Tereton

Acetic acid, methyl ester

Devoton

Acetic acid methyl ester

Methylacetat

Acetate de methyle

Methylacetaat

Methyl acetic ester

Octan metylu

Metile (acetato di)

Methyle (acetate de)

Methylester kiseliny octove

Ethyl ester of monoacetic acid

HSDB 95

Methylacetat [German]

FEMA No. 2676

CH3COOCH3

MeOAc

Methyl ester of acetic acid

NSC 405071

METHYL-ACETATE

ACETIC ACID,METHYL ESTER

DTXSID4021767

CHEBI:77700

W684QT396F

NSC-405071

Methylacetat (german)

NCGC00090940-01

Acetic acid-methyl ester

DTXCID101767

Methylacetaat [Dutch]

Octan metylu [Polish]

FEMA Number 2676

Methyl acetate (natural)

CAS-79-20-9

Methyl Acetate; Acetic acid methyl ester

Acetate de methyle [French]

CCRIS 5846

Methyle (acetate de) [French]

Metile (acetato di) [Italian]

Methylester kiseliny octove [Czech]

EINECS 201-185-2

UN1231

Metile

METHYL ACETATE, 97%

UNII-W684QT396F

AcOMe

1-Methyl acetate

CH3COOMe

Methyl acetate [UN1231] [Flammable liquid]

CH3CO2CH3

EC 201-185-2

METHYL ACETATE [MI]

METHYL ACETATE [FCC]

WLN: 1VO1

CHEMBL14079

METHYL ACETATE [FHFI]

METHYL ACETATE [HSDB]

METHYL ACETATE [INCI]

Methyl acetate, >=98%, FG

METHYL ACETATE [USP-RS]

FEMA 2676

Methyl acetate, analytical standard

Methyl acetate, anhydrous, 99.5%

Methyl acetate, natural, 98%, FG

Tox21_113243

Tox21_200057

Methyl acetate, reagent grade, 95%

MFCD00008711

NSC405071

STL281977

AKOS000120042

MCULE-7368066093

Methyl acetate, ReagentPlus(R), 99%

UN 1231

Methyl acetate, for HPLC, >=99.8%

NCGC00090940-02

NCGC00257611-01

DB-255268

NS00003464

S0300

EN300-15476

Methyl acetate, SAJ first grade, >=99.0%

C17530

Methyl acetate [UN1231] [Flammable liquid]

Methyl acetate, JIS special grade, >=99.5%

for HPLC, inverted exclamation markY99.5%(GC)

InChI=1/C3H6O2/c1-3(4)5-2/h1-2H

A839618

Q414189

J-522583

Acetic acid-methyl ester 1000 microg/mL in Methanol

Methyl acetate, United States Pharmacopeia (USP) Reference Standard

The Henry's Law constant for methyl acetate is 1.15X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that methyl acetate 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 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). Methyl acetate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl acetate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 216.2 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) Ambrose D et al; J Chem Therm 13: 795-802 (1981)

The Koc of methyl acetate is estimated as 9.1(SRC), using a log Kow of 0.18(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl acetate is expected to have very high mobility in soil(SRC).
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. nn (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Sept 22, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)

METHYL METHACRYLATE

80-62-6

methyl 2-methylprop-2-enoate

Methylmethacrylate

Methyl methylacrylate

Methyl 2-methylpropenoate

Methacrylic acid methyl ester

Pegalan

Methyl-methacrylat

Methyl 2-methyl-2-propenoate

Diakon

9011-14-7

Acryester M

2-Propenoic acid, 2-methyl-, methyl ester

Methacrylate de methyle

Methyl 2-methylacrylate

2-Methyl-2-propenoic acid methyl ester

Methacrylsaeuremethyl ester

2-(Methoxycarbonyl)-1-propene

Metakrylan metylu

Methylmethacrylaat

Metil metacrilato

Methyl meth-d3-acrylate

Rcra waste number U162

Methyl alpha-methylacrylate

Methyl methacrylate monomer

TEB 3K

NCI-C50680

2-Methylacrylic acid, methyl ester

Methacrylic acid, methyl ester

Acrylic acid, 2-methyl-, methyl ester

2-Methyl-acrylic acid methyl ester

NSC 4769

Monocite methacrylate monomer

Methylester kyseliny methakrylove

CHEBI:34840

2-methylacrylic acid methyl ester

Methyl .alpha.-methylacrylate

51391-19-6

Cranioplast

DTXSID2020844

Metaplex

Kallocryl A

NSC-4769

Simplex P

Methyl methacrylate monomer, inhibited

143476-91-9

55063-97-3

Methyl ester of 2-methyl-2-propenoic acid

196OC77688

Methacrylic acid-methyl ester

114512-63-9

9065-11-6

Plexiglass

Methylmethacrylaat [Dutch]

Metakrylan metylu [Polish]

Methyl-methacrylat [German]

Metil metacrilato [Italian]

CCRIS 1364

HSDB 195

Methacrylate de methyle [French]

Methacrylsaeuremethyl ester [German]

EINECS 201-297-1

UN1247

RCRA waste no. U162

BRN 0605459

Eudragit

Methylester kyseliny methakrylove [Czech]

AI3-24946

methoxymethacrolein

UNII-196OC77688

MMA (stabilized)

J69

Acrylic resins (PMMA)

High flow injection grade

METHYL METHACTRYLATE

Epitope ID:131321

Methyl 2-methylacrylate #

Methyl methacrylate (MMA)

EC 201-297-1

Methyl-.alpha.-methacrylate

SCHEMBL1849

CH2=C(CH3)COOCH3

4-02-00-01519 (Beilstein Handbook Reference)

NA 1247 (Salt/Mix)

UN 1247 (Salt/Mix)

BIDD:ER0634

CHEMBL49996

DTXCID80844

Methyl methacrylate, 99.5%

WLN: 1UY1&VO1

Methyl methacrylate, stabilized

'monocite' Methacrylate monomer

Methyl methacrylate, CP,98.0%

NSC4769

METHYL METHACRYLATE [HSDB]

METHYL METHACRYLATE [IARC]

METHYL METHACRYLATE [INCI]

METHYLMETHACRYLATE [MART.]

METHYL METHACRYLATE [VANDF]

METHYLMETHACRYLATE [WHO-DD]

Tox21_200367

MFCD00008587

STL283952

AKOS000120216

Methyl methacrylate, 99%, stabilized

MCULE-9286083206

CAS-80-62-6

NCGC00091089-01

NCGC00091089-02

NCGC00257921-01

Methacrylic Acid Methyl Ester (stabilized

METHACRYLIC ACID METHYL ESTER [MI]

DB-013559

M0087

METHYL 2-METHYL-2-PROPENOATE [FHFI]

NS00009302

EN300-19210

C19504

Methyl methacrylate 1000 microg/mL in Methanol

Methyl methacrylate, SAJ first grade, >=99.0%

A839957

Q382897

J-522614

F0001-2087

InChI=1/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H

Methacrylic acid-methyl ester 100 microg/mL in Cyclohexane

Methyl Methacrylate (stabilized with 6-tert-Butyl-2,4-xylenol)

Methyl Methacrylate, (stabilized with 6-tert-Butyl-2,4-xylenol)

Methyl methacrylate, contains <=30 ppm MEHQ as inhibitor, 99%

Methyl methacrylate, European Pharmacopoeia (EP) Reference Standard

Methyl methacrylate (MMA), 99.5%(GC), contains 30ppm MEHQ as stabilizer

Methyl methacrylate (MMA), AR, 99.0%, contains 30ppm MEHQ as stabilizer

Methyl methacrylate monomer, inhibited [UN1247] [Flammable liquid]

PROPENOIC ACID,2-METHYL,METHYLESTER (METHACRYLATE METHYLESTER)

97555-82-3

The Henry's Law constant for methyl methacrylate is estimated as 3.2X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 38.5 mm Hg(1), and water solubility, 1.57X10+4 mg/L(2). This Henry's Law constant indicates that methyl methacrylate 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 5.7 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)(3) is estimated as 4.8 days(SRC). Methyl methacrylate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl methacrylate from dry soil surfaces may exist based upon its vapor pressure(1).

The Koc of methyl methacrylate has been measured as 9-72(1) and as high as 95(2). According to a classification scheme(3), this Koc range suggests that methyl methacrylate is expected to have very high to high mobility in soil.

DIETHYL PHTHALATE

84-66-2

Ethyl phthalate

phthalic acid diethyl ester

Anozol

diethyl benzene-1,2-dicarboxylate

Diethylphthalate

Neantine

Phthalol

Solvanol

Diethyl o-phthalate

Palatinol A

Placidol E

Unimoll DA

Phthalsaeurediaethylester

o-Bis(ethoxycarbonyl)benzene

Diethyl 1,2-benzenedicarboxylate

1,2-Diethyl phthalate

Estol 1550

1,2-Benzenedicarboxylic acid, diethyl ester

Di-n-ethyl phthalate

o-Benzenedicarboxylic acid diethyl ester

Diethyl o-phenylenediacetate

Phthalic acid, diethyl ester

RCRA waste number U088

Diethylester kyseliny ftalove

NCI-C60048

NSC 8905

1,2-benzenedicarboxylic acid diethyl ester

CCRIS 2675

HSDB 926

CHEBI:34698

diethyl phtalate

DPX-F5384

NSC-8905

EINECS 201-550-6

UNII-UF064M00AF

Diethyl-o-phthalate

1,2-diethyl benzene-1,2-dicarboxylate

BRN 1912500

O-phthalic acid, diethyl ester

UF064M00AF

DTXSID7021780

AI3-00329

Diethyl phthalate (NF)

Diethyl phthalate [NF]

DTXCID901780

PHTHALIC ACID ETHYL ESTER

EC 201-550-6

1,2-Benzenedicarboxylic acid, 1,2-diethyl ester

4-09-00-03172 (Beilstein Handbook Reference)

NCGC00090974-03

o-Benzenedicarboxylic acid, diethyl ester

Diethyl phthalate, 99%

68988-18-1

DIETHYL PHTHALATE (II)

DIETHYL PHTHALATE [II]

DIETHYL PHTHALATE (MART.)

DIETHYL PHTHALATE [MART.]

DIETHYL PHTHALATE (USP-RS)

DIETHYL PHTHALATE [USP-RS]

CAS-84-66-2

DIETHYL PHTHALATE (EP MONOGRAPH)

DIETHYL PHTHALATE [EP MONOGRAPH]

SMR000857334

Phthalsaeurediaethylester [German]

Diethyl phthalate, PESTANAL(R), analytical standard

Diethylester kyseliny ftalove [Czech]

RCRA waste no. U088

Phthalic acid, bis-ethyl ester

Kodaflex DEP

Diethyl phthalic acid

Diethyl Phthalate, NF

diethyl 1,2-benzenedioate

bmse000846

Epitope ID:140105

WLN: 2OVR BVO2

Diethyl phthalate, >=99%

Diethyl phthalate, 99.5%

SCHEMBL22296

dimethyphalate ,ethylphthalate

MLS001336021

MLS001336022

MLS002152901

MLS002177800

BIDD:ER0639

DIETHYL PHTHALATE (0)

CHEMBL388558

Diethyl phthalate, >=99.5%

DIETHYL PHTHALATE [HSDB]

DIETHYL PHTHALATE [INCI]

Diethyl-1,2-benzenedicarboxylate

DIETHYL PHTHALATE [VANDF]

ETHYL PHTHALATE [WHO-DD]

NSC8905

Diethyl phthalate, LR, >=99%

Phthalic acid, bis-isodecyl ester

HMS2233J05

HMS3369G01

PHTHALIC ACID,DIETHYL ESTER

Diethyl phthalate/dimethyl phthalate

STR04116

Tox21_111050

Tox21_201874

Tox21_300183

BBL011577

MFCD00009111

STL163320

AKOS000119867

MCULE-8221041887

PHTHALIC ACID ETHYL ESTER [MI]

NCGC00090974-01

NCGC00090974-02

NCGC00090974-04

NCGC00090974-05

NCGC00090974-06

NCGC00254098-01

NCGC00259423-01

benzene-1,2-dicarboxylic acid diethyl ester

CS-0013981

NS00009893

P0296

Diethyl ester of 1,2-Benzenedicarboxylic acid

EN300-20094

D03804

Diethyl phthalate, SAJ special grade, >=98.0%

Q419811

Q-200982

F1908-0104

Diethyl phthalate, European Pharmacopoeia (EP) Reference Standard

Diethyl phthalate, United States Pharmacopeia (USP) Reference Standard

Diethyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material

InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H

The Henry's Law constant for diethyl phthalate is estimated as 6.1X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 2.1X10-3 mm Hg(1), and water solubility, 1,080 mg/L(2). This Henry's Law constant indicates that diethyl phthalate is expected to be essentially nonvolatile from water surfaces(3). Diethyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Hinckley DA et al; J Chem Eng Data 35: 232-37 (1990) (2) Howard PH et al; Environ Tox Chem 4: 653-61 (1985) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

A Koc value of diethyl phthalate of 1,726 was measured in podzol soil at pH 2.8 and 4.85% carbon, a value of 704 in alfisol soil at pH 6.7 and 1.25% carbon, a value of 320 in sediment at pH 7.1 and 1.58% carbon(1). An experimental log Koc of 1.99 was determined from unsaturated soil columns at pH 4.8(2). A Koc value of 69 was determined from measurements on soil samples from Broome County, NY(3). According to a classification scheme(4), these Koc values suggest that diethyl phthalate is expected to have low to high mobility in soil.
Literature: (1) Vonopen B et al; Chemosphere 22: 285-304 (1991) (2) Zurmuehl T et al; J Contam Hydrol 8: 111-33 (1991) (3) Russel DJ, McDuffie B; Chemosphere 15: 1003-21 (1986) (4) Swann RL et al; Res Rev 85: 17-28 (1983)

DIISOBUTYL PHTHALATE

84-69-5

DIBP

Palatinol IC

Isobutyl phthalate

Phthalic Acid Diisobutyl Ester

Hexaplas M/1B

Kodaflex DIBP

Di-iso-butyl phthalate

Phthalic acid, diisobutyl ester

Di(i-butyl)phthalate

1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester

Diisobutylester kyseliny ftalove

NSC 15316

bis(2-methylpropyl) phthalate

isobutyl-o-phthalate

1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester

DTXSID9022522

di-2-methylpropyl phthalate

di-l-butyl phthalate (DIBP)

IZ67FTN290

CHEBI:79053

NSC-15316

Hatcol DIBP

DTXCID602522

1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester

1,2-Benzenedicarboxylic acid, di(2-methylpropyl) ester

Phthalic acid, bis-isobutyl ester

CAS-84-69-5

SMR000112470

di-isobutyl phthalate

CCRIS 6193

HSDB 5247

AI3-04278 (USDA)

EINECS 201-553-2

BRN 2054802

UNII-IZ67FTN290

Diisobutylester kyseliny ftalove [Czech]

AI3-04278

Isobutyl phthalate (VAN)

bis(2-methylpropyl) benzene-1,2-dicarboxylate

EC 201-553-2

Diisobutyl phthalate, 99%

SCHEMBL42787

4-09-00-03177 (Beilstein Handbook Reference)

MLS000516002

MLS002152902

BIDD:ER0640

1, bis(2-methylpropyl) ester

CHEMBL1370662

HMS2269D07

NSC15316

Tox21_202429

Tox21_300612

MFCD00026480

AKOS015837516

Diisobutyl phthalate (ACD/Name 4.0)

WLN: 1Y1&1OVR BVO1Y1&1

NCGC00091360-01

NCGC00091360-02

NCGC00091360-03

NCGC00091360-04

NCGC00254487-01

NCGC00259978-01

NS00010605

P0298

Q162259

1,2-bis(2-methylpropyl) benzene-1,2-dicarboxylate

J-503794

1,2-benzenedicarboxylic acid di(2-methylpropyl) ester

Phthalic acid, bis-isobutyl ester 10 microg/mL in Cyclohexane

Diisobutyl phthalate, certified reference material, TraceCERT(R)

The Henry's Law constant for diisobutyl phthalate is estimated as 2.8X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 4.76X10-5 mm Hg(1), and water solubility, 6.2 mg/L(2). This Henry's Law constant indicates that diisobutyl phthalate 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 22 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 165 days(SRC). Diisobutyl phthalate's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Diisobutyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).

A measured log Koc value of 3.14 (Koc 1,380) has been reported for diisobutyl phthalate in soil(1-2) and a measured Koc of 1,020 has been reported in suspended solids(3). According to a classification scheme(4), these Koc values suggest that diisobutyl phthalate is expected to have low mobility in soil. A log Koc value of 5.90 was measured in suspended sediment-seawater samples collected from False Creek Harbor, Van Couver, British Columbia, Canada(5).

2-Naphthyl lactate

lactonaphthol

93-43-6

naphthalen-2-yl 2-hydroxypropanoate

(2-Methyloxiranyl)methanol

Propanoic acid, 2-hydroxy-, 2-naphthalenyl ester

8107M40WRT

lactol

UNII-8107M40WRT

EINECS 202-246-6

2-NAPHTHOL LACTATE

SCHEMBL18256

.BETA.-NAPHTHYL LACTATE

2-NAPHTHYL LACTATE [MI]

DTXSID10883280

RTXHNOBSQMHTSB-UHFFFAOYSA-N

LACTIC ACID .BETA.-NAPHTHYL ESTER

NS00041258

Q27269182

METHYL BENZOATE

93-58-3

Methylbenzoate

Benzoic acid, methyl ester

benzoic acid methyl ester

Clorius

Methyl benzenecarboxylate

Essence of niobe

Oxidate le

FEMA No. 2683

Methyl benzoate (natural)

Methylester kyseliny benzoove

NSC 9394

CCRIS 5851

HSDB 5283

EINECS 202-259-7

UNII-6618K1VJ9T

DTXSID5025572

CHEBI:72775

AI3-00525

CLORIUS-

6618K1VJ9T

NSC-9394

MFCD00008421

Methyl ester of benzoic acid

DTXCID405572

EC 202-259-7

CAS-93-58-3

UN2938

Methylester kyseliny benzoove [Czech]

Benzoato de metilo

methyloxycarbonylbenzene

benzoic acid methylester

Methyl benzoate, 99%

Methyl-benzenecarboxylate

Benzoic acid-methyl ester

WLN: 1OVR

SCHEMBL7200

METHYL BENZOATE [MI]

MLS001050185

CHEMBL16435

METHYL BENZOATE [FCC]

METHYL BENZOATE [FHFI]

METHYL BENZOATE [HSDB]

METHYL BENZOATE [INCI]

SCHEMBL4790973

SCHEMBL10330498

NSC9394

Methyl benzoate, >=99% (GC)

Methyl benzoate, analytical standard

Tox21_201832

Tox21_303198

BBL010502

STK021498

AKOS000120640

Methyl benzoate, >=98%, FCC, FG

AT34734

MCULE-3681534655

UN 2938

Methyl benzoate, for synthesis, 98.0%

NCGC00091665-01

NCGC00091665-02

NCGC00256939-01

NCGC00259381-01

BP-31073

SMR001216584

VS-02533

B0074

NS00012849

EN300-15500

Methyl benzoate, natural, >=98%, FCC, FG

C20645

A844641

Q417328

J-522592

Methyl benzoate [UN2938] [Keep away from food]

Z19825577

F0001-2239

InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H

The Henry's Law constant for methyl benzoate is estimated as 3.24X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.38 mm Hg(1), and water solubility, 2.1X10+3 mg/L(2). This Henry's Law constant indicates that methyl benzoate 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 22 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 14 days(SRC). Methyl benzoate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyl benzoate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.38 mm Hg(1).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds New York, NY: Amer Inst for Phys Prop Data (1989) (2) Riddick JA et al; Organic Solvents 4th ed. New York, NY: Wiley (1986) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The adsorption of methyl benzoate was determined by a modified version of the OECD guideline 106, a batch equilibrium method, in three soils with different characteristics: an acid forest soil (Podzol), an agricultural soil (Alfisol), and a sediment. The respective Freundlich constants, Kf (1/n), for the three soils were 8.64 (0.81), 1.29 (0.85), and 1.51 (0.84)(1). Koc values for the Podzol, Alfisol and sediment were 178, 103, and 95, respectively(1). Methyl benzoate also has a reported log Koc value of 2.10 (Koc = 126)(2). Using a structure estimation method based on molecular connectivity indices(3), the Koc of methyl benzoate can be estimated to be 70(SRC). According to a classification scheme(3), methyl benzoate is expected to have moderate to high mobility in soil.
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

METHYL NICOTINATE

93-60-7

methyl pyridine-3-carboxylate

Nikomet

Methylnicotinate

Nicotinic acid methyl ester

Methyl-nicotinate

Nicometh

Methyl 3-pyridinecarboxylate

3-(Methoxycarbonyl)pyridine

3-Pyridinecarboxylic acid, methyl ester

Heat spray

3-Picolinic acid methyl ester

Nicotinic acid, methyl ester

3-(Carbomethoxy)pyridine

m-(Methoxycarbonyl)pyridine

FEMA No. 3709

Methyl nicotinate [USAN]

NSC 13126

3PyrCOOMe

Heat spray (TN)

3-Carbomethoxypyridine

NSC-13126

7B1AVU9DJN

Methyl nicotinate (USAN)

3-Pyridinecarboxylic acid methyl ester

DTXSID7044471

MFCD00006388

NCGC00159479-02

Methyl ester of pyridine-3-carboxylic acid

WLN: T6NJ CVO1

DTXCID5024471

CAS-93-60-7

EINECS 202-261-8

UNII-7B1AVU9DJN

BRN 0113951

AI3-19241

methyl nicotinoate

nicotinato de metila

nicotinato de metilo

nicotinato di metile

nicotinate de methyle

Methyl nicotinate, 99%

methylpyridine-3-carboxylate

SCHEMBL24566

5-22-02-00059 (Beilstein Handbook Reference)

METHYL NICOTINATE [MI]

CHEMBL379845

METHYL NICOTINATE [FHFI]

METHYL NICOTINATE [INCI]

FEMA 3709

METHYL NICOTINATE [VANDF]

CHEBI:134761

METHYL NICOTINATE [MART.]

Methyl nicotinate, >=99%, FG

HMS1775A18

METHYL NICOTINATE [WHO-DD]

CS-D1355

HY-B1695

NSC13126

Tox21_111702

Tox21_302038

NSC403799

s6231

STK803258

Methyl nicotinate, analytical standard

AKOS000119439

Tox21_111702_1

DB13882

GS-3032

MCULE-2161067131

NSC-403799

METHYL NICOTINATE [EP MONOGRAPH]

pyridine-3-carboxylic acid methyl ester

NCGC00159479-03

NCGC00159479-05

NCGC00255708-01

AC-22482

DB-031973

AM20061626

N0086

NS00013858

EN300-17782

Methyl nicotinate Methyl 3-pyridinecarboxylate

Methyl nicotinate, puriss., >=99.0% (GC)

D04991

D87532

AC-907/25014170

SR-01000944497

Q-201381

Q3341206

SR-01000944497-1

METHYL NICOTINATE;METHYL 3-PYRIDINECARBOXYLATE

Z57036282

F0001-2240

Methyl nicotinate, European Pharmacopoeia (EP) Reference Standard

InChI=1/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H

Methyl Nicotinate, Pharmaceutical Secondary Standard; Certified Reference Material

ETHYL BENZOATE

93-89-0

Benzoic acid, ethyl ester

Benzoic ether

Ethyl benzenecarboxylate

Benzoic Acid Ethyl Ester

Benzoyl ethyl ether

Ethylester kyseliny benzoove

FEMA No. 2422

Ethyl benzoate (natural)

NSC 8884

EINECS 202-284-3

UNII-J115BRJ15H

J115BRJ15H

DTXSID3038696

AI3-01352

Benzoic acid-ethyl ester

NSC-8884

CHEMBL510714

BENZOIC ACID,ETHYL ESTER

DTXCID1018696

CHEBI:156074

NSC 8884-d5

EC 202-284-3

MFCD00009109

Ethylester kyseliny benzoove [Czech]

HYDROUS BENZOYL PEROXIDE IMPURITY C (EP IMPURITY)

HYDROUS BENZOYL PEROXIDE IMPURITY C [EP IMPURITY]

Ethyl benzoate, >=99%

WLN: 2OVR

ETHYL BENZOATE [MI]

SCHEMBL55674

ETHYL BENZOATE [FCC]

ETHYL BENZOATE [FHFI]

ETHYL BENZOATE [INCI]

Ethyl benzoate, puriss., 98%

FEMA 2422

NSC8884

Ethyl benzoate, analytical standard

Tox21_302021

BBL010500

BDBM50304448

STK025151

Ethyl benzoate, >=99%, FCC, FG

AKOS003596787

CS-W018155

HY-W017439

MCULE-1461486723

CAS-93-89-0

NCGC00255586-01

70750-02-6

70750-03-7

70750-04-8

VS-02532

DB-002644

B0069

Ethyl benzoate, natural, >=99%, FCC, FG

NS00008338

EN300-16131

Ethyl benzoate, Vetec(TM) reagent grade, 98%

Q421100

J-502070

Z53835169

F8880-7461

InChI=1/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H

Isoamyl benzoate

Isopentyl benzoate

94-46-2

3-Methylbutyl benzoate

Benzoic acid isoamyl ester

Isopentyl alcohol, benzoate

Isoamylbenzoate

1-Butanol, 3-methyl-, benzoate

1-(3-Methyl)butyl benzoate

BENZOIC ACID, ISOPENTYL ESTER

3-Methyl-1-butyl benzoate

Benzoic acid, 1-(3-methyl)butyl ester

FEMA No. 2058

benzoic acid 3-methylbutyl ester

Isoamyl-benzoate

Benzoic acid, 3-methylbutyl ester

NSC 9284

1-Butanol, 3-methyl-, 1-benzoate

0AY72CK43K

DTXSID8047185

NSC-9284

MFCD00026515

Isoamyl benzoate (natural)

54846-63-8

EINECS 202-334-4

BRN 1946447

UNII-0AY72CK43K

AI3-01966

so-Amyl benzoate

iso-amyl benzoate

2-Dimethylaminoethylbenzoate (DMB)

1-Butanol, benzoate

Isopentyl alcohol, benzoate (6CI,8CI)

ISOAMYL BENZOATE [MI]

SCHEMBL132524

WLN: 1Y1&2OVR

ISOAMYL BENZOATE [FCC]

ISOAMYL BENZOATE [FHFI]

CHEMBL2260711

DTXCID6027185

FEMA 2058

NSC9284

CHEBI:179910

Benzoic acid-(3-methylbutyl) ester

Tox21_302461

BBL011533

STL146651

AKOS005720808

Isoamyl benzoate, >=98%, FCC, FG

MCULE-5093143033

CAS-94-46-2

NCGC00256869-01

AC-18094

AS-57016

SY033445

DB-220786

B0071

CS-0154227

NS00012652

BENZOIC ACID 1-(3-METHYL)BUTYL ESTER

E75850

A844963

Q27236554

InChI=1/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H

DIETHYL OXALATE

95-92-1

Ethyl oxalate

diethyloxalate

Ethanedioic acid, diethyl ester

Diethyl ethanedioate

Oxalic acid, diethyl ester

Oxalic ether

Oxalic Acid Diethyl Ester

NSC 8851

Diethylester kyseliny stavelove

MFCD00009119

Diethyl ester of oxalic acid

860M3ZWF6J

DTXSID2044472

NSC-8851

Ethanedioic acid, 1,2-diethyl ester

Ethyl oxalate (VAN)

HSDB 2131

EINECS 202-464-1

UN2525

Diethylester kyseliny stavelove [Czech]

BRN 0606350

UNII-860M3ZWF6J

diethyl ethaneioate

diethyl ethane-dioate

ETHYL OXOLATE

oxalic acid diethylester

1,2-diethyl ethanedioate

C2H5OCOCOOC2H5

Diethyl oxalate, >=99%

EC 202-464-1

SCHEMBL7262

WLN: 2OVVO2

DIETHYL OXALATE [MI]

4-02-00-01848 (Beilstein Handbook Reference)

DIETHYL OXALATE [HSDB]

CHEMBL3183226

DTXCID0024472

NSC8851

AMY37179

Diethyl oxalate, analytical standard

Tox21_302109

BBL011413

STL146519

ETHANEDIOC ACID, DIETHYL ESTER

AKOS000120214

Ethyl oxalate [UN2525] [Poison]

UN 2525

CAS-95-92-1

NCGC00255767-01

AS-14315

BP-13324

Diethyl oxalate, purum, >=99.0% (GC)

NS00009607

O0078

O0120

EN300-19207

F87445

Q904612

J-802189

Q-200981

5-pentyl-5-tetrahydropyran-2-yl-imidazolidine-2,4-dione

ETHANEDIOIC ACID,DIETHYL ESTER (DIETHYLOXALATE)

F1908-0115

Z104473164

InChI=1/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H

Ethanedioic Acid 1,2-Diethyl Ester; Oxalic Acid Diethyl Ester; Diethyl Ethanedioate; Ethyl Oxalate; NSC 8851

gamma-Butyrolactone

96-48-0

dihydrofuran-2(3H)-one

BUTYROLACTONE

4-Butyrolactone

4-Butanolide

1,4-Butanolide

2-Oxolanone

4-Hydroxybutyric acid lactone

4-Deoxytetronic acid

Butyrylactone

2(3H)-Furanone, dihydro-

Dihydro-2(3H)-furanone

1,2-Butanolide

Butyryl lactone

Butyric acid lactone

oxolan-2-one

Tetrahydro-2-furanone

BLON

gamma-BL

4-Hydroxybutanoic acid lactone

Dihydro-2-furanone

g-Butyrolactone

1,4-Lactone

Agrisynth BLO

gamma-Hydroxybutyric acid lactone

gamma-Hydroxybutyrolactone

2-Oxotetrahydrofuran

.gamma.-Butyrolactone

NCI-C55878

gamma-6480

gama-Butyrolactone

GBL

FEMA No. 3291

1-Oxacyclopentan-2-one

gamma Butyrolactone

NSC 4592

gamma-Butanolactone

gamma-Butyrolactone-13C4

gamma-Hydroxybutyric Acid cyclic ester

1,4-Butyrolactone

.gamma.-BL

Butyric acid, 4-hydroxy-, gamma-lactone

.gamma.-6480

BLO

.gamma.-Hydroxybutyrolactone

OL659KIY4X

DTXSID6020224

CHEBI:42639

.gamma.-Hydroxybutyric acid lactone

NSC-4592

4-Hydroxybutyric acid, .gamma.-lactone

.gamma.-Hydroxybutyric acid cyclic ester

4-Hydroxybutanoic acid, .gamma.-lactone

Gammabutyrolactone (GBL)

DTXCID80224

No Go

Caswell No. 132B

gamma-Butalactone

gamma-butyrolacton

Paint Clean G

CAS-96-48-0

31213-03-3

gamma-Butyryllactone

gamma-Butyrolactone (natural)

CCRIS 2924

gamma-Butyrolactone; GBL; Gammabutyrolactone

tetrahydrofuran-2-one

HSDB 4290

EINECS 202-509-5

UNII-OL659KIY4X

EPA Pesticide Chemical Code 122303

Revivarant

Remforce

4 Hydroxybutyric Acid Lactone

Butanoic acid, 4-hydroxy-, gamma-lactone

g-Butalactone

4-butanolactone

AI3-28121

g-Butyryllactone

GH Revitalizer

Blue Nitro

gammabutyrolactone

tetrahydrofuranone

4-Deoxytetronate

C-1070

Dihyro-2-furanone

dihydrofuran-2-one

gamma-butyro-lactone

NIH 10540

dihydro-furan-2-one

.alpha.-Butyrolactone

.gamma.-Butanolactone

2(3H)-dihydrofuranone

1-Oxacyclopentane-2-one

WLN: T5OVTJ

BUTYROLACTONE [MI]

EC 202-509-5

BUTYROLACTONE [INCI]

BUTYROLACTONE [VANDF]

Dynasolve 699 (Salt/Mix)

g-Hydroxybutyric acid lactone

CHEMBL95681

Dihydro-(3 H)-furan-2-one

Butyric acid, .gamma.-lactone

BUTYROLACTONE [WHO-DD]

GTPL5462

Butanoic acid, .gamma.-lactone

4,5-Dihydro-2(3H)-furanone

GAMMA-BUTYROLACTONE [FCC]

NSC4592

2,3,4,5-Tetrahydro-2-furanone

4-hydroxy-Butanoic acid g-lactone

GAMMA-BUTYROLACTONE [HSDB]

GAMMA-BUTYROLACTONE [IARC]

Gamma-Lactone 4-hydroxybutyric acid

.gamma.-Hydrooxybutyric acid lactone

gamma-Butyrolactone, >=99% (GC)

Tox21_200490

Tox21_300188

Gamma-Lactone 4-hydroxy-butyric acid

Gamma-Lactone 4-hydroxybutanoic acid

LBG 11785

LMFA07040004

MFCD00005386

STL281877

.GAMMA.-BUTYROLACTONE [FHFI]

AKOS000119924

Gamma-Lactone 4-hydroxy-butanoic acid

DB04699

MCULE-6795890265

gamma-Butyrolactone, analytical standard

NCGC00247920-01

NCGC00247920-02

NCGC00253913-01

NCGC00258044-01

Butyric acid, 4-hydroxy-, .gamma.-lactone

A4867

B0767

Butanoic acid, 4-hydroxy-, .gamma.-lactone

NS00003450

gamma-Butyrolactone, ReagentPlus(R), >=99%

C01770

gamma-Butyrolactone, puriss., >=99.0% (GC)

Q79739

gamma-Butyrolactone, SAJ first grade, >=99.5%

4-Hydroxybutanoic acid lactone, >=98%, FCC, FG

GBL (gamma-Butyrolactone), 10mg/ml in Acetonitrile

GBL (gamma-Butyrolactone), 1mg/ml in Acetonitrile

GBL (gamma-Butyrolactone), 50mg/ml in Acetonitrile

J-513020

J-520327

Q-200482

gamma-Butyrolactone (GBL) 1.0 mg/ml in Acetonitrile

GBL (gamma-Butyrolactone), 100mg/ml in Acetonitrile

InChI=1/C4H6O2/c5-4-2-1-3-6-4/h1-3H

BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE

BL