benzoic acid

65-85-0

Dracylic acid

benzenecarboxylic acid

Carboxybenzene

Benzeneformic acid

phenylformic acid

Benzenemethanoic acid

Phenylcarboxylic acid

benzoate

Retardex

Benzoesaeure GK

Benzoesaeure GV

Retarder BA

Tenn-Plas

Acide benzoique

Salvo liquid

Solvo powder

Benzoesaeure

Benzoic acid, tech.

Unisept BZA

HA 1 (acid)

Kyselina benzoova

Benzoic acid (natural)

HA 1

Benzoate (VAN)

Benzenemethonic acid

FEMA No. 2131

Vevovitall

Acido benzoico

Menno-florades

NSC 149

Benzoesaeure [German]

Caswell No. 081

Diacylic acid

Oracylic acid

Benzoicum acidum

CCRIS 1893

HSDB 704

Acide benzoique [French]

Acido benzoico [Italian]

E 210

Kyselina benzoova [Czech]

AI3-0310

AI3-03710

Diacylate

EPA Pesticide Chemical Code 009101

CHEBI:30746

Salvo powder

Acidum benzoicum

NSC-149

UNII-8SKN0B0MIM

E210

Salvo, liquid

Solvo, powder

8SKN0B0MIM

Benzoic acid (e 210)

EINECS 200-618-2

Tennplas

DTXSID6020143

Retarded BA

INS-210

Aromatic carboxylic acid

MFCD00002398

Benzoic acid [USP:JAN]

BENZOIC-4-D1 ACID

DTXCID80143

Benzoic acid-ring-UL-14C

INS NO.210

E-210

EC 200-618-2

Benzeneformate

Phenylformate

Benzenemethanoate

Phenylcarboxylate

Benzenecarboxylate

Benzoic acid 100 microg/mL in Acetone

Benzoic acid (USP:JAN)

BENZOIC ACID (II)

BENZOIC ACID [II]

Benzoic Acid 2000 microg/mL in Dichloromethane

BENZOIC ACID (MART.)

BENZOIC ACID [MART.]

BENZOIC ACID (USP-RS)

BENZOIC ACID [USP-RS]

BENZOIC ACID (EP MONOGRAPH)

BENZOIC ACID [EP MONOGRAPH]

BENZOIC ACID (USP MONOGRAPH)

BENZOIC ACID [USP MONOGRAPH]

Acid, Benzoic

Benzoic acid [USAN:JAN]

CAS-65-85-0

MFCD00002400

NSC7918

B A

Benzoic acid (TN)

phenylcarboxy

Dracylate

ProvitaCombat

benzoic aicd

benzoic-acid

benzoic_acid

bezoic acid

Aromatic acid

benzenecarboxylic

Benzoicum Ac

Eyelids Wipes

benzoic- acid

Provita Equiband

Retarder BAX

1gyx

1kqb

Rheumatism Diarrhea

Sodium benzoic acid

Benzoic Acid,(S)

CARBOXYLBENZENE

DIACYCLIC ACID

DRACYCLIC ACID

benzene carboxylic acid

760 - Preservatives

BENZOICACID-D5

ANTAZOLINE_met016

WLN: QVR

benzene-2-carboxylic acid

EUCATROPINE_met034

CYCLANDELATE_met022

BENZOIC ACID [MI]

Benzoic acid, ACS reagent

bmse000300

CHEMBL541

Epitope ID:139965

BENZOIC ACID [FCC]

BENZOIC ACID [JAN]

SCHEMBL1378

BENZOIC ACID [FHFI]

BENZOIC ACID [HSDB]

BENZOIC ACID [INCI]

SAMPL4, O1

TRIPELENNAMINE_met034

Benzoic acid (JP17/USP)

BENZOIC ACID [VANDF]

MLS002415717

27 - Preservatives in Cream

BIDD:ER0597

BENZOIC ACID [WHO-DD]

BENZOIC ACID [WHO-IP]

Benzoic acid, AR, >=99%

Benzoic acid, LR, >=99%

NSC149

31 - Preservatives in Mascara

BENZOICUM ACIDUM [HPUS]

FEMA 2131

Benzoic acid (7CI,8CI,9CI)

Benzoic acid, analytical standard

Benzoic acid, p.a., 99.5%

BENZOIC ACID [GREEN BOOK]

BDBM197302

Benzoic-2,3,4,5,6-d5 acid

HMS2092F18

HMS2267D03

HMS3652B03

Pharmakon1600-01503001

HY-N0216

Tox21_202403

Tox21_300180

NSC758203

s4161

STK301730

Benzoic acid, ReagentPlus(R), 99%

AKOS000119619

BS-3752

CCG-213088

DB03793

MCULE-4467353796

NSC-758203

ACIDUM BENZOICUM [WHO-IP LATIN]

Benzoic acid, >=99.5%, FCC, FG

USEPA/OPP Pesticide Code: 009101

Benzoic acid, ACS reagent, >=99.5%

NCGC00091886-01

NCGC00091886-02

NCGC00091886-03

NCGC00091886-05

NCGC00254112-01

NCGC00259952-01

TIAPROFENIC ACID IMPURITY D [EP]

Benzoic acid, USP, 99.5-100.5%

BP-30148

SMR001252220

SY009192

SY236257

Benzoic acid, tested according to Ph.Eur.

SBI-0206720.P001

Benzoic acid, SAJ first grade, >=99.5%

DB-029471

B0062

B2635

CS-0008257

NS00008785

SW219833-1

Benzoic acid, natural, >=99.5%, FCC, FG

Benzoic acid, SAJ special grade, >=99.5%

Benzoic acid, Vetec(TM) reagent grade, 98%

EN300-18007

2-BENZOYL-5-METHOXYBENZOQUINONE_met032

Benzoic acid, meets USP testing specifications

Benzoic acid, purified by sublimation, >=99%

C00180

C00539

D00038

D85168

MEFENAMIC ACID IMPURITY D [EP IMPURITY]

AB00949635_05

AB00949635_06

A835250

A934445

Benzoic Acid Zone Refined (number of passes:20)

Q191700

SR-05000001919

Benzoic acid, puriss. p.a., ACS reagent, 99.9%

SR-05000001919-1

0BE368DC-6DE6-4927-AECF-E4BB2968A4A0

GLYCOPYRRONIUM BROMIDE IMPURITY D [EP IMPURITY]

Melting point standard 121-123C, analytical standard

METRONIDAZOLE BENZOATE IMPURITY C [EP IMPURITY]

Z57127480

F2191-0092

HYDROUS BENZOYL PEROXIDE IMPURITY B [EP IMPURITY]

Benzoic acid, NIST(R) SRM(R) 39j, calorimetric standard

Benzoic acid, Standard for quantitative NMR, TraceCERT(R)

METHYLAMINOLEVULINATE HYDROCHLORIDE IMPURITY I [EP]

Benzoic acid, European Pharmacopoeia (EP) Reference Standard

Mettler-Toledo Calibration substance ME 18555, Benzoic acid

Benzoic acid, for calorimetrical determination (approx. 26460 J/g)

Benzoic acid, United States Pharmacopeia (USP) Reference Standard

InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9

SS Benzoic Acid, 2000 mug/mL in dichloromethane, analytical standard

Benzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material

Benzoic acid, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.9% (alkalimetric)

14322-82-8

Benzoic acid, certified reference material for titrimetry, certified by BAM according to ISO 17025, >=99.5%

Benzoic acid, meets analytical specification of Ph. Eur., BP, USP, FCC, E210, 99.5-100.5% (alkalimetric)

Mettler-Toledo Calibration substance ME 18555, Benzoic acid, analytical standard, for the calibration of the thermosystem 900, traceable to primary standards (L

ScavengePore(TM) benzoic acid, macroporous, 40-70 mesh, extent of labeling: 0.5-1.5 mmol per g loading

A pKa of 4.20(1) indicates benzoic acid will exist almost entirely in the ionized form at pH values of 5 to 9 and, therefore, volatilization from water or moist soil surfaces is not expected to be an important fate process. Benzoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.0X10-4 mm Hg at 25 deg C(2).
Literature: (1) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., p 8-47 (2010) (2) McEachern DM, Sandoval O; J Phys E 6: 155-161 (1973)

Koc of benzoic acid is estimated as 15(SRC), using a log Kow of 1.87(1) and a regression-derived equation(2). An experimental log Koc of 1.50 (Koc = 31) has been reported, test details not available(3). According to a classification scheme(4), these Koc values suggest that benzoic acid is expected to have very high mobility in soil. The pKa of benzoic acid is 4.20(5), indicating that this compound will exist in anion form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(6). Freundlich adsorption constants of 0.23, 0 and 0 were reported using Ersum sandy till (pH 4.7; 0.25% OC), Tirstrup melt water sand (pH 6.1; 0.09% OC) and Djursland clayey till (pH 7.6; 0.22% OC), respectively, at 6 deg C. Soils were collected in North Sealand and Djursland, Jutland(7). Benzoic acid displayed negligible adsorption when using a montmorillonite (Volclay bentonite, Upton WY) clay(8).
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. 29 (1995) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 19, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., p 8-47 (2010) (6) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (7) Loekke H; Water Air Soil Pollut 22: 373-87 (1984) (8) Bailey GW et al; Soil Sci Soc Amer Proc 32: 222-34 (1968)

p-Tolualdehyde

4-METHYLBENZALDEHYDE

104-87-0

4-Tolualdehyde

p-Formyltoluene

p-Methylbenzaldehyde

p-Tolylaldehyde

p-Toluylaldehyde

para-Tolualdehyde

Benzaldehyde, 4-methyl-

para-Methylbenzaldehyde

para-Toluyl aldehyde

Paratolualdehyde

4-Toluylaldehyde

4-Methyl-Benzaldehyde

PTAL

NSC 2224

p-methyl benzaldehyde

MFCD00006954

GAX22QZ28Q

CHEMBL190927

DTXSID9041520

CHEBI:28617

NSC-2224

4-methyl benzaldehyde

4-Toluicaldehyde

CCRIS 2942

HSDB 5361

TOLUALDEHYDE, P-

EINECS 203-246-9

UNII-GAX22QZ28Q

p-tolu-aldehyde

AI3-24380

p-toluenealdehyde

p-tolyl aldehyde

p-toluic aldehyde

p-tolyl-methanone

p-Tolualdehyde, c

p-4-methylbenzaldehyde

p-Tolualdehyde, 97%

bmse000527

SCHEMBL29171

P-TOLUALDEHYDE [FCC]

p-Tolualdehyde, >=97%, FG

DTXCID7021520

NSC2224

4-methylbenzaldehyde;p-Tolualdehyde

OZAGREL SODIUM IMPURITY 19

p-Tolualdehyde, analytical standard

4-METHYLBENZALDEHYDE [HSDB]

4-METHYLBENZALDEHYDE [INCI]

FEMA NO. 3068, P-

Tox21_304012

BDBM50159265

STL194064

AKOS000119345

CS-W013576

HY-W012860

MCULE-2461351642

PS-5663

NCGC00357225-01

AC-16956

CAS-104-87-0

DB-003768

NS00013243

T0259

T1073

EN300-20307

C06758

p-Tolualdehyde, Vetec(TM) reagent grade, 97%

A801081

Q3266675

W-108803

F2190-0585

Z104477698

InChI=1/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H

The Henry's Law constant for 4-methylbenzaldehyde is estimated as 1.7X10-5 atm-cu m/mole(SRC), derived from its vapor pressure, 0.25 mm Hg(1), and water solubility, 2270 mg/L(2). This Henry's Law constant indicates that 4-methylbenzaldehyde 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 2.4 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 21 days(SRC). 4-Methylbenzaldehyde's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Methylbenzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. NY, NY: Hemisphere Publ Corp, 4 Vol (1987) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. College of Pharmacy, University of Arizona-Tucson, AZ. PC Version (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of 4-methylbenzaldehyde is estimated as 62(SRC), using a water solubility of 2,270 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 4-methylbenzaldehyde is expected to have high mobility in soil.
Literature: (1) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. College of Pharmacy, University of Arizona-Tucson, AZ. PC Version (1992) (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)

benzaldehyde

100-52-7

Benzoic aldehyde

Phenylmethanal

Benzenecarboxaldehyde

Benzenecarbonal

Benzenemethylal

Benzaldehyde FFC

Benzene carbaldehyde

Benzene carboxaldehyde

benzanoaldehyde

Benzylaldehyde

Benzoyl hydride

NCI-C56133

Benzoic acid aldehyde

FEMA No. 2127

Caswell No. 076

Phenylformaldehyde

Benzaldehyde (natural)

NSC 7917

Benzadehyde

Benzyaldehyde

CCRIS 2376

HSDB 388

NSC-7917

EINECS 202-860-4

UNII-TA269SD04T

Benzaldehyde-carbonyl-13C

Benzaldehyde [NF]

EPA Pesticide Chemical Code 008601

Benzaldehyde-formyl-d

TA269SD04T

Benzaldehyde-alpha-d1

DTXSID8039241

CHEBI:17169

AI3-09931

MFCD00003299

8013-76-1

Benzaldehyde, methyl-

CHEMBL15972

DTXCID90134

NSC7917

EC 202-860-4

Phenylmethanal benzenecarboxaldehyde

Benzaldehyde (NF)

NCGC00091819-01

NCGC00091819-02

BENZALDEHYDE (II)

BENZALDEHYDE [II]

BENZALDEHYDE (MART.)

BENZALDEHYDE [MART.]

benzaldehyd

Benzaldhyde

BENZALDEHYDE (USP IMPURITY)

BENZALDEHYDE [USP IMPURITY]

BDBM50139371

CAS-100-52-7

FENTANYL IMPURITY E (EP IMPURITY)

FENTANYL IMPURITY E [EP IMPURITY]

TRIBENOSIDE IMPURITY C (EP IMPURITY)

TRIBENOSIDE IMPURITY C [EP IMPURITY]

BENZYL ALCOHOL IMPURITY A (EP IMPURITY)

BENZYL ALCOHOL IMPURITY A [EP IMPURITY]

FENTANYL CITRATE IMPURITY E (EP IMPURITY)

FENTANYL CITRATE IMPURITY E [EP IMPURITY]

AMFETAMINE SULFATE IMPURITY D (EP IMPURITY)

AMFETAMINE SULFATE IMPURITY D [EP IMPURITY]

UN1990

BENZALKONIUM CHLORIDE IMPURITY B (EP IMPURITY)

BENZALKONIUM CHLORIDE IMPURITY B [EP IMPURITY]

GLYCOPYRRONIUM BROMIDE IMPURITY F (EP IMPURITY)

GLYCOPYRRONIUM BROMIDE IMPURITY F [EP IMPURITY]

HYDROUS BENZOYL PEROXIDE IMPURITY A (EP IMPURITY)

HYDROUS BENZOYL PEROXIDE IMPURITY A [EP IMPURITY]

benzaidehyde

benzaldehvde

benzaldehye

benzaldeyde

BENZOYLL PEROXIDE HYDROUS IMPURITY A (EP IMPURITY)

BENZOYLL PEROXIDE HYDROUS IMPURITY A [EP IMPURITY]

C7H6O

phenyl-methanone

Benzene methylal

Aromatic aldehyde

Benzoylwasserstoff

(phenyl)methanone

benzenecarbaldehyde

Benzaldehyde,(S)

PhCHO

Benzene carcaboxaldehyde

2vj1

WLN: VHR

BENZALDEHYDE [MI]

SCHEMBL573

BENZALDEHYDE [FCC]

BENZALDEHYDE [FHFI]

BENZALDEHYDE [HSDB]

BENZALDEHYDE [INCI]

BENZALDEHYDE [VANDF]

ghl.PD_Mitscher_leg0.170

BENZALDEHYDE [USP-RS]

Benzaldehyde, AR, >=99%

Benzaldehyde, LR, >=99%

BIDD:ER0249

BDBM60953

Benzaldehyde, analytical standard

Ald3-H_000012

Benzaldehyde, >=98%, FG, FCC

Ald3.1-H_000160

Ald3.1-H_000479

Ald3.1-H_000798

Tox21_113069

Tox21_113244

Tox21_200634

s5574

STL194067

Benzaldehyde, for synthesis, 95.0%

AKOS000119172

Benzaldehyde [UN1990] [Class 9]

CCG-266041

MCULE-7744113682

NA 1989

Benzaldehyde, purum, >=98.0% (GC)

Benzaldehyde, ReagentPlus(R), >=99%

NCGC00091819-03

NCGC00258188-01

PS-11959

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

DB-023673

B2379

Benzaldehyde, SAJ special grade, >=98.0%

NS00008510

Benzaldehyde, Vetec(TM) reagent grade, 98%

Benzaldehyde 1000 microg/mL in Dichloromethane

Benzaldehyde 2000 microg/mL in Dichloromethane

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

C00193

C00261

D02314

A800226

Q372524

SR-01000944375

Benzaldehyde, purified by redistillation, >=99.5%

SR-01000944375-1

F1294-0144

Flavor and Extract Manufacturers' Association No. 2127

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

Benzaldehyde, European Pharmacopoeia (EP) Reference Standard

Benzaldehyde, United States Pharmacopeia (USP) Reference Standard

Benzaldehyde, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for benzaldehyde is 2.67X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that benzaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 1.5 days (SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 14 days(SRC). Benzaldehyde's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 deg C(3).
Literature: (1) Betterton EA, Hoffmann MR; Environ Sci Technol 22: 1415-8 (1988) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Ambrose D et al; J Chem Therm 7: 1143-57 (1975)

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

PHENYLACETIC ACID

2-Phenylacetic acid

Benzeneacetic acid

103-82-2

Phenylethanoic acid

alpha-Toluic acid

Acetic acid, phenyl-

Benzenacetic acid

phenylacetate

Benzylformic acid

Phenyllacetic acid

Benzylcarboxylic acid

Kyselina fenyloctova

Phenylacetic acid (natural)

omega-Phenylacetic acid

FEMA No. 2878

PHENYL ACETIC ACID

.alpha.-Toluic acid

Kyselina fenyloctova [Czech]

NSC 125718

CHEBI:30745

BRN 1099647

HSDB 5010

.omega.-Phenylacetic acid

AI3-08920

EINECS 203-148-6

UNII-ER5I1W795A

ER5I1W795A

DTXSID2021656

PHENYL-ACETIC ACID

NSC-125718

CHEMBL1044

DTXCID201656

EC 203-148-6

4-09-00-01614 (Beilstein Handbook Reference)

Benzeneacetate

MFCD00004313

NSC125718

2-phenylethanoate

NCGC00159477-02

51146-16-8

ASTUGENAL COMPONENT PHENYLACETIC ACID

17303-65-0

ANTINEOPLASTON AS 2-1 COMPONENT PHENYLACETIC ACID

ANTINEOPLASTON AS2-1 COMPONENT PHENYLACETIC ACID

1173020-54-6

CAS-103-82-2

TROPICAMIDE IMPURITY D (EP IMPURITY)

TROPICAMIDE IMPURITY D [EP IMPURITY]

BENZYLPENICILLIN SODIUM IMPURITY B (EP IMPURITY)

BENZYLPENICILLIN SODIUM IMPURITY B [EP IMPURITY]

BENZYLPENICILLIN POTASSIUM IMPURITY B (EP IMPURITY)

BENZYLPENICILLIN POTASSIUM IMPURITY B [EP IMPURITY]

PROCAINE BENZYLPENICILLIN IMPURITY E (EP IMPURITY)

PROCAINE BENZYLPENICILLIN IMPURITY E [EP IMPURITY]

Phenylacetic

Phenylethanoate

Phenylessigsaure

w-Phenylacetate

alpha-Toluate

phenylactic acid

a-Toluate

a-Toluic acid

Benzeneacetiic acid

omega-Phenylacetate

organic white solid

w-Phenylacetic acid

Phenylacetate, XIX

2-phenyl-acetic acid

Phenylacetic acid, 99%

bmse000220

Epitope ID:116202

SCHEMBL1459

PHENYLACETIC ACID [MI]

PHENYLACETIC ACID [FCC]

PHENYLACETIC ACID [FHFI]

PHENYLACETIC ACID [HSDB]

BDBM16419

Phenylacetic acid_GurudeebanSatyavani

Tox21_113042

Tox21_200533

NSC139637

Phenylacetic acid, natural, >=99%

STK297835

Phenylacetic acid, analytical standard

AKOS000291351

Tox21_113042_1

DB09269

DL-0063

MCULE-6701370784

NSC-139637

Phenylacetic acid, >=99%, FCC, FG

NCGC00159477-03

NCGC00159477-05

NCGC00258087-01

BP-11383

NCI60_000596

NCI60_002571

Phenylacetic acid, natural, >=99%, FG

DB-003759

DB-055176

NS00115879

Phenylacetic acid, plant cell culture tested

C07086

Q410842

8727557E-AA75-49E9-8E5A-7A2412D71888

BENZYLPENICILLIN (BENZATHINE) TETRAHYDRATE IMPURITY B { EP IMPURITY]

InChI=1/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10

Tropicamide impurity D (Phenylacetic acid - Drug Precursor), European Pharmacopoeia (EP) Reference Standard

A pKa of 4.31(1) indicates phenylacetic acid will exist almost entirely in the anion form at pH values of 5 to 9(2) and therefore volatilization from water surfaces is not expected to be an important fate process. Phenylacetic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3).
Literature: (1) Dean JA; Lange's Handbook of Chemistry 13th ed NY, NY: McGraw-Hill, Inc p. 5-53 (1985) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Perry RH, Green D; Perry's Chemical Engineer's Handbook 6th ed NY, NY: McGraw-Hill, Inc p. 3-59 (1984)

Koc values of 31, 26, and 28 were experimentally determined for phenylacetic acid in three specific soils: a Podzol (pH = 2.8, sand = 89.2%, silt = 8.2%, and clay = 2.6%), an alfisol (pH = 6.7, sand = 69.7%, silt = 14.4%, and clay = 15.9%) and sediment from Lake Constance (pH = 7.1, sand = 5.5%, silt = 58.8%, and clay = 35.7%), respectively(1). According to a recommended classification scheme(2), these Koc values suggest that phenylacetic acid is expected to have very high mobility in soil(SRC). The pKa of phenylacetic acid is 4.31(3), indicating that this compound will primarily exist 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(4).
Literature: (1) von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Dean JA; Lange's Handbook of Chemistry 13th ed NY, NY: McGraw-Hill, Inc p. 5-53 (1985) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

alpha-Hexylcinnamaldehyde

101-86-0

2-Benzylideneoctanal

Octanal, 2-(phenylmethylene)-

2-(Phenylmethylene)octanal

.alpha.-Hexylcinnamaldehyde

DTXSID4026684

hexyl cinnamaldehyde

alpha-hexyl-cinnamaidehyde

alpha-hexyl-cinnamaldehyde

alpha-n-hexyl cinnamaldehyde

SCHEMBL113171

CHEMBL3183766

AKOS028108454

MCULE-1890142461

NCGC00247907-01

NS00002490

2'-METHYLACETOPHENONE

577-16-2

1-(o-Tolyl)ethanone

2-Methylacetophenone

2-Acetyltoluene

1-(2-Methylphenyl)ethanone

o-Methylacetophenone

o-Acetyltoluene

2'-Methylacetylphenone

Ethanone, 1-(2-methylphenyl)-

Methyl o-tolyl ketone

1-(2-methylphenyl)ethan-1-one

Acetophenone, 2'-methyl-

1-o-tolylethanone

methyl 2-methylphenyl ketone

1-(Methylphenyl)ethan-1-one

1-o-Tolyl-ethanone

o-Methyl acetophenone

26444-19-9

ortho-methylacetophenone

2'-methyl-acetophenone

1-(2-Tolyl)ethanone

MFCD00008734

NSC 84233

23O5EV975S

NSC-84233

UNII-23O5EV975S

methyl tolyl ketone

NSC84233

EINECS 209-408-5

EINECS 247-691-7

1-(o-tolyl)-ethanone

2\'-Methylacetophenone

ortho-methylphenylethanone

1-(Methylphenyl)-Ethanone

1-(o-tolyl)ethan-1-one

2?-METHYLACETOPHENONE

1-(2-Methylphenyl)-Ethanone

2'-Methylacetophenone, 98%

SCHEMBL112406

1-(2-Methyl-phenyl)-ethanone

FEMA NO. 4316

2'-Methylacetophenone, >=98%

CHEBI:145958

DTXSID501015360

Acetophenone, 2'-methyl- (8CI)

2-METHYLACETOPHENONE [FHFI]

STR03226

2-METHYLPHENYL METHYL KETONE

AC7820

STL146529

AKOS000120656

CS-W013374

HY-W012658

MCULE-1749200131

Ethanone, 1-(2-methylphenyl)- (9CI)

AC-15885

SY002283

DB-014153

A8219

AM20040758

M0172

NS00042916

EN300-20993

2 inverted exclamation mark -Methylacetophenone

W-105445

2'-Methylacetophenone, Vetec(TM) reagent grade, 98%

Q27253770

F0001-1503

InChI=1/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H

4-methylphenol

P-CRESOL

106-44-5

4-Cresol

4-Hydroxytoluene

p-Methylphenol

para-Cresol

Phenol, 4-methyl-

p-Hydroxytoluene

p-Tolyl alcohol

p-Kresol

p-Oxytoluene

p-Toluol

p-Cresylic acid

1-Hydroxy-4-methylbenzene

Paracresol

p-Methylhydroxybenzene

1-Methyl-4-hydroxybenzene

Paramethyl phenol

para-Cresylic acid

4-methyl phenol

Cresol, para-

Cresol, p-

p-Kresol [German]

Cresol, p-isomer

FEMA No. 2337

CRESOL, PARA

p-Methyl phenol

4-methyl-phenol

4-methylphenol (p-cresol)

NSC 3696

MFCD00002376

1MXY2UM8NV

CHEMBL16645

DTXSID7021869

CHEBI:17847

NSC-3696

NCGC00091519-04

TOLUENE,4-HYDROXY (PARA-CRESOL)

p-Cresol [UN2076] [Poison, Corrosive]

DSSTox_CID_1869

DTXCID101869

CAS-106-44-5

CCRIS 647

HSDB 1814

EINECS 203-398-6

UNII-1MXY2UM8NV

para cresol

p-Cresylate

p-methyl-phenol

AI3-00150

?p-Cresol

Cresol,p-

Phenol, 4-methyI

p-Cresol, 99%

Spectrum_000850

p-Cresol, High Purity

P-CRESOL [FHFI]

P-CRESOL [HSDB]

P-CRESOL [INCI]

Spectrum2_000765

Spectrum4_001740

Spectrum5_000540

P-CRESOL [MI]

SCHEMBL375

bmse000458

EC 203-398-6

DSSTox_RID_77380

DSSTox_RID_77554

NCIOpen2_001516

WLN: QR D1

DSSTox_GSID_24364

DSSTox_GSID_24858

KBioGR_002160

KBioSS_001330

p-Cresol, analytical standard

BIDD:ER0010

DivK1c_000381

SPECTRUM1500209

p-Cresol, >=99%, FG

SPBio_000810

SCHEMBL7812506

SGCUT00097

HMS501D03

KBio1_000381

KBio2_001330

KBio2_003898

KBio2_006466

DTXSID30236875

DTXSID40185628

NSC3696

PARACRESOL [USP IMPURITY]

NINDS_000381

HMS1920A16

HMS2091I04

Pharmakon1600-01500209

p-Cresol, for synthesis, 98.0%

4-Methylphenol, analytical standard

NSC95259

to_000033

Tox21_113240

Tox21_113445

Tox21_200402

Tox21_201115

Tox21_300029

BDBM50008543

CCG-38990

NSC-95259

NSC756709

STL183323

AKOS000119005

Tox21_113445_1

DB01688

MCULE-2287247927

IDI1_000381

NCGC00013272-01

NCGC00091519-01

NCGC00091519-02

NCGC00091519-03

NCGC00091519-05

NCGC00091519-06

NCGC00091519-07

NCGC00091519-09

NCGC00253980-01

NCGC00257956-01

NCGC00258667-01

4-Methylphenol 10 microg/mL in Methanol

PS-11958

CAS-1319-77-3

p-Cresol, JIS special grade, >=99.0%

SBI-0051322.P003

METACRESOL IMPURITY C [EP IMPURITY]

NS00008242

4-Methylphenol 100 microg/mL in Cyclohexane

EN300-19427

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

AMYLMETACRESOL IMPURITY D [EP IMPURITY]

C01468

AB00051955_02

Q312251

SR-05000002037

J-001591

J-515803

SR-05000002037-1

F1908-0066

Z104473818

InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H

2876-02-0

The Henry's Law constant for p-cresol is 1.0X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that p-cresol 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 approximately 38 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 approximately 281 days(SRC). p-Cresol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). p-Cresol may volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.11 mm Hg at 25 °C(3).

A Koc of 49 was measured for o-cresol in a Brookston clay loam soil using OECD Guideline 106(1). Based on measured Freundlich isotherms for p-cresol in five different horizon soils (organic content of 0.3 to 0.9%)(2), the Koc ranged from 27 to 251 with an average of 173(SRC). Other reported Koc values include a Koc of 500 in soil and 645 in a sediment(3). According to a classification scheme(4), these Koc values indicate that p-cresol is expected to have very high to moderate mobility in soil.

5-METHOXYINDOLE

1006-94-6

5-Methoxy-1H-indole

1H-Indole, 5-methoxy-

Femedol

Indole, 5-methoxy-

Methoxy-5 indole

Indol-5-yl methyl ether

MFCD00005674

DQM3AS43PQ

5-Methoxy indole

CHEMBL280311

NSC-521752

BZ3

Methoxy-5 indole [French]

EINECS 213-745-3

UNII-DQM3AS43PQ

NSC 521752

5Methoxyindole

5-methoxyindol

5-Methyoxyindole

5-methoxy-indole

3imc

3img

1,3-dihydro-5-methyl-2H-Indol-2-one

5-Methoxyindole, 99%

5-(methyloxy)-1H-indole

SCHEMBL74720

1H-Indol-5-yl methyl ether

916979-77-6

WLN: T56 BMJ GO1

1H-Indol-5-yl methyl ether #

DTXSID80143424

CHEBI:167807

AM671

BCP26682

STR01848

BDBM50400288

NSC521752

STK510267

AKOS000121317

AB00488

CG-0503

CS-W007328

HY-W007328

MCULE-5809392169

PB39301

AC-10504

BP-10264

SY004368

DB-031747

M0731

NS00015812

EN300-21650

A16217

A18677

M-3454

M-3456

AB-337/25021007

Q27276543

Z104507276

ETHYL7,8-DICHLORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE

InChI=1/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H

2,3,5-Trimethylpyrazine

14667-55-1

TRIMETHYLPYRAZINE

Pyrazine, trimethyl-

Pyrazine, 2,3,5-trimethyl-

2,3,5-Trimethyl pyrazine

2,3,6-Trimethylpyrazine

FEMA No. 3244

Q8PR0W8TIT

2,3,5-Trimethyl-pyrazine

Pyrazine, 2,3,5-trimethyl

DTXSID1047075

CCRIS 2932

trimethyl pyrazine

EINECS 238-712-0

UNII-Q8PR0W8TIT

2,3,5-Trimethyl pyrazine (natural)

BRN 0002423

AI3-34442

SCHEMBL107646

CHEMBL320146

DTXCID9027075

FEMA 3244

2,3,5-Trimethylpyrazine, 99%

CHEBI:190131

AMY23186

Tox21_302314

MFCD00006145

AKOS015842577

CS-W011192

HY-W010476

MCULE-8809596878

2,3,5-TRIMETHYLPYRAZINE [FCC]

2,3,5-TRIMETHYLPYRAZINE [FHFI]

NCGC00256135-01

AC-10654

PD158279

CAS-14667-55-1

DB-003800

NS00013306

T0942

2,3,5-Trimethylpyrazine, analytical standard

2,3,5-Trimethylpyrazine, >=99%, FCC, FG

EN300-201680

2,3,5-Trimethylpyrazine, natural, >=95%, FG

Q-100171

Q21099097

InChI=1/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H

3-Ethyl-2,5-dimethylpyrazine

13360-65-1

2-Ethyl-3,6-dimethylpyrazine

Pyrazine, 3-ethyl-2,5-dimethyl-

2,5-DIMETHYL-3-ETHYLPYRAZINE

G2FB13VLOG

3,6-Dimethyl-2-ethylpyrazine

3,6-cocoa pyrazine

UNII-G2FB13VLOG

EINECS 236-417-1

CHEMBL95123

SCHEMBL160005

2E3,6DMP

2-ethyl-3,6-dimethyl pyrazine

DTXSID1065423

CHEBI:199156

Pyrazine, 2-ethyl-3,6-dimethyl

Pyrazine, 2-ethyl-3,?-dimethyl-

2-Ethyl-3,5/6-dimethyl-Pyrazine

AKOS006271522

BS-14917

DB-117250

FEMA NO. 3149, 3,6-DIMETHYL-

CS-0152557

NS00012398

F20894

A902157

W-108294

Q27278651

3-Ethyl-2,5-dimethylpyrazine; 2,5-Dimethyl-3-ethylpyrazine; 3,6-Dimethyl-2-ethylpyrazine;