Benzopyrrole

benzazole

SIKJAQJRHWYJAI-UHFFFAOYSA-N

indole

indolyl

Ketole

Indol

IND

Indole, analytical standard

1-Azaindene

1-Benzazole

Benzo[b]pyrrole

1H-Indole

SCHEMBL698

AC1L1A1Q

AC1Q4W0V

185l

2,3-Benzopyrrole

I908

Indole (natural)

KSC175K9T

1-H-indole

1H-Benzo[b]pyrrole

2,3-Benzopyrole

CHEMBL15844

Indol [German]

INDOLE BENZO-PYRROLE

Indole, 7

NSC1964

1-Benzo(b)pyrrole

CTK0H5599

HMDB00738

HSDB 599

I0021

Indole (white flake)

Indole, >=99%

BIDD:GT0304

DB04532

Indole, 98%

RP19282

SCHEMBL940818

STR01201

8724FJW4M5

bmse000097

C00463

CCRIS 4421

DSSTox_CID_737

Indole (8CI)

2,3-Benzopyrrole, ketole

AK105886

BBL011739

CG-0501

DTXSID0020737

HE009164

HE115567

HE299716

HE301357

LS-2832

NSC 1964

NSC-1964

SBB055980

SCHEMBL1921769

SCHEMBL9559244

STL163380

1H-indol-1-yl

ACMC-209a84

CHEBI:16881

I-0800

I-0810

UNII-8724FJW4M5

W-1785

AB1009465

AJ-64954

AN-22831

ANW-17522

BP-10563

Caswell No. 498B

CJ-14563

DSSTox_GSID_20737

KB-12260

LS-82069

SC-19025

ST2408915

TRA0047977

WLN: T56 BMJ

BB_NC-2223

BDBM50094702

DSSTox_RID_75761

MFCD00005607

ZINC14516984

AI3-01540

CS-W001132

Indole, >=99%, FG

RTR-003417

ST51046571

TR-003417

1H-Indole (9CI)

AKOS000119629

EPA Pesticide Chemical Code 025000

I14-3233

Z57833933

FEMA No. 2593

FT-0627211

FT-0627227

Tox21_112536

Tox21_201677

Tox21_302937

120-72-9

F2190-0647

Indole, 99% 50g

1H-Benzo[b]pyrrole; 2,3-Benzopyrrole

MCULE-9442796928

NCGC00167539-01

NCGC00167539-02

NCGC00167539-03

NCGC00256348-01

NCGC00259226-01

CAS-120-72-9

EINECS 204-420-7

SR-01000944736

Tox21_112536_1

5189-EP2269978A2

5189-EP2269985A2

5189-EP2269991A2

5189-EP2270006A1

5189-EP2270010A1

5189-EP2270011A1

5189-EP2270505A1

5189-EP2272491A1

5189-EP2272509A1

5189-EP2272517A1

5189-EP2272813A2

5189-EP2272832A1

5189-EP2272972A1

5189-EP2272973A1

5189-EP2275105A1

5189-EP2275395A2

5189-EP2275401A1

5189-EP2275412A1

5189-EP2275420A1

5189-EP2277858A1

5189-EP2277862A2

5189-EP2277872A1

5189-EP2277874A1

5189-EP2279183A1

5189-EP2279184A1

5189-EP2280000A1

5189-EP2280008A2

5189-EP2280012A2

5189-EP2281563A1

5189-EP2281815A1

5189-EP2281818A1

5189-EP2281824A1

5189-EP2284150A2

5189-EP2284151A2

5189-EP2284152A2

5189-EP2284153A2

5189-EP2284155A2

5189-EP2284156A2

5189-EP2284157A1

5189-EP2284158A1

5189-EP2284164A2

5189-EP2284920A1

5189-EP2287140A2

5189-EP2287148A2

5189-EP2287150A2

5189-EP2287155A1

5189-EP2287165A2

5189-EP2287166A2

5189-EP2289510A1

5189-EP2289871A1

5189-EP2289890A1

5189-EP2292586A2

5189-EP2292590A2

5189-EP2292592A1

5189-EP2292593A2

5189-EP2292604A2

5189-EP2292606A1

5189-EP2292611A1

5189-EP2292620A2

5189-EP2292630A1

5189-EP2295409A1

5189-EP2295419A2

5189-EP2295429A1

5189-EP2295432A1

5189-EP2295433A2

5189-EP2295503A1

5189-EP2298732A1

5189-EP2298737A1

5189-EP2298738A1

5189-EP2298740A1

5189-EP2298755A1

5189-EP2298764A1

5189-EP2298765A1

5189-EP2298766A1

5189-EP2298767A1

5189-EP2298770A1

5189-EP2298774A1

5189-EP2301536A1

5189-EP2301538A1

5189-EP2301912A2

5189-EP2301913A1

5189-EP2301914A1

5189-EP2301916A2

5189-EP2301918A1

5189-EP2301921A1

5189-EP2301923A1

5189-EP2301926A1

5189-EP2301931A1

5189-EP2301933A1

5189-EP2301937A1

5189-EP2305219A1

5189-EP2305250A1

5189-EP2305637A2

5189-EP2305640A2

5189-EP2305643A1

5189-EP2305644A1

5189-EP2305648A1

5189-EP2305651A1

5189-EP2305653A1

5189-EP2305657A2

5189-EP2305658A1

5189-EP2305695A2

5189-EP2305696A2

5189-EP2305697A2

5189-EP2305698A2

5189-EP2305808A1

5189-EP2308510A1

5189-EP2308562A2

5189-EP2308832A1

5189-EP2308839A1

5189-EP2308840A1

5189-EP2308848A1

5189-EP2308849A1

5189-EP2308850A1

5189-EP2308854A1

5189-EP2308863A1

5189-EP2308867A2

5189-EP2308870A2

5189-EP2308871A1

5189-EP2311455A1

5189-EP2311796A1

5189-EP2311797A1

5189-EP2311798A1

5189-EP2311799A1

5189-EP2311808A1

5189-EP2311825A1

5189-EP2311827A1

5189-EP2311829A1

5189-EP2311830A1

5189-EP2311831A1

5189-EP2311842A2

5189-EP2314575A1

5189-EP2314576A1

5189-EP2314587A1

5189-EP2314588A1

5189-EP2315303A1

5189-EP2316452A1

5189-EP2316459A1

5189-EP2316470A2

5189-EP2316824A1

5189-EP2316832A1

5189-EP2316833A1

5189-EP2316836A1

5189-EP2316974A1

5189-EP2371811A2

5189-EP2371831A1

5189-EP2372017A1

5189-EP2372804A1

5189-EP2374454A1

5189-EP2378585A1

MolPort-001-738-532

46560-EP2275412A1

46560-EP2287158A1

46560-EP2287159A1

46560-EP2308871A1

46560-EP2311826A2

56185-EP2289892A1

56185-EP2298738A1

56185-EP2308871A1

Indole, 9CI, 8CI; N-(4-Methylbenzenesulfonyl)

SR-01000944736-1

Indole, puriss., >=98.5% (GC)

InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9

The Henry's Law constant for indole is estimated as 5.3X10-7 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.0122 mm Hg(1), and water solubility, 3560 mg/l(2). This value indicates that indole will be essentially nonvolatile from water surfaces(3,SRC). Indole's Henry's Law constant(1,2,SRC) indicates that volatilization from moist soil surfaces should not occur(SRC).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Volume 3. C8 to C28 Compounds. HOuston,TX: Gulf Publ Co (1994) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Ver 5. College of Pharmacy, University of Arizona - Tucson, AZ. PC Ver (1992) (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 of 187 was measured for indole on a synthetic soil consisting of 88-90% sand, 10% clay and 0-2% humic acid(1). The Koc of indole is estimated as approximately 350(SRC), using a measured log Kow of 2.14(2) and a regression-derived equation(3,SRC). According to a recommended classification scheme(4), these Koc values suggest that indole has moderate mobility in soil(SRC).
Literature: (1) Rebhun M et al; Water Res 26: 79-84 (1992) (2) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Amer Chem Soc, Washington, DC. p. 6 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (4) Swann RL et al; Res Rev 85: 23 (1983)

METHYLSULFANYLMETHANE

Methanethiomethane

Dimethylsulphide

Methylthiomethane

dimethylsulfane

Dimethylsulfid

dimethylsulfide

Methylsulphide

Methylthiomethyl radical

Thiobismethane

(Methylthiomethylidyne)radical

methylsulfide

Dimethyl monosulfide

Thiopropane

dimethyl sulphide

Dimethyl thioether

Methyl monosulfide

QMMFVYPAHWMCMS-UHFFFAOYSA-N

reduced dimethyl sulfoxide

dimethyl sulfide

Methyl sulphide

Methyl thioether

Thiobis-methane

(Methylsulfanyl)methane

Methyl sulfide

REDUCED-DMSO

(methylthio)methane

Dimethyl sulfide, analytical standard

Dimethyl sulfoxide(Reduced)

Sulfure de methyle

(Methylsulfanyl)methane #

2-Thiapropane

2-Thiopropane

AC1L1ANN

Exact-S

Thiobis(methane)

ACMC-1BBLH

C2H6S

Dimethylsulfid [Czech]

Nat. Dimethyl Sulfide

Dimethyl sulfide (natural)

Methane, thiobis-

QS3J7O7L3U

KSC377G0P

Sulfide, methyl-

6873AF

CHEMBL15580

Dimethyl sulfide, >=99%

UN1164

UNII-QS3J7O7L3U

CTK2H7307

Dimethyl sulfide, 98%

HMDB02303

HSDB 356

M0431

[SMe2]

RP18263

Sulfure de methyle [French]

C00580

LTBB002388

(CH3)2S

DTXSID9026398

LS-2960

methyl sulphide, dimethyl sulphide, exact-S, thiobismethane

OR000121

OR337379

STL481894

UN 1164

A838342

CHEBI:17437

AN-23841

ANW-36574

KB-76628

SC-26847

Dimethyl sulfide, >=99%, FCC

MFCD00008562

AI3-25274

RTR-024212

TR-024212

AKOS009031411

I09-0087

Q-100810

BRN 1696847

Dimethyl sulfide, anhydrous, >=99.0%

FEMA No. 2746

FT-0603084

Methane, 1,1'-thiobis-

75-18-3

Dimethyl sulfide, 99% 250ml

MCULE-4525381422

Dimethyl sulfide, redistilled, >=99%, FCC, FG

EINECS 200-846-2

31533-72-9

Dimethyl sulfide [UN1164] [Flammable liquid]

Dimethyl sulfide, >=95.0% (GC)

Dimethyl sulfide, natural, >=99%, FCC, FG

MolPort-003-928-951

Dimethyl sulfide [UN1164] [Flammable liquid]

13741-EP2269977A2

13741-EP2277865A1

13741-EP2280006A1

13741-EP2284171A1

13741-EP2287153A1

13741-EP2298767A1

13741-EP2305656A1

13741-EP2308851A1

13741-EP2308873A1

13741-EP2311820A1

13741-EP2314576A1

13741-EP2314587A1

13741-EP2316836A1

13838-EP2292595A1

13838-EP2295409A1

13838-EP2295426A1

13838-EP2295427A1

13838-EP2295437A1

13838-EP2298775A1

13838-EP2311820A1

13838-EP2316836A1

18767-EP2270003A1

18767-EP2272832A1

18767-EP2277848A1

18767-EP2292576A2

18767-EP2292597A1

18767-EP2301933A1

18767-EP2305672A1

18767-EP2308510A1

18767-EP2308838A1

18767-EP2308877A1

18767-EP2311827A1

18767-EP2314576A1

18767-EP2314587A1

47704-EP2280006A1

47704-EP2311811A1

80926-EP2295426A1

80926-EP2295427A1

80926-EP2305687A1

Dimethyl sulfide, puriss., >=99.0% (GC)

InChI=1/C2H6S/c1-3-2/h1-2H

4-01-00-01275 (Beilstein Handbook Reference)

The Henry's Law constant for dimethyl sulfide has been measured as 1.61X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl sulfide is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 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 3 days(SRC). Dimethyl sulfides's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dimethyl sulfide from dry soil surfaces may exist(SRC) based upon a vapor pressure of 502 mm Hg(3).
Literature: (1) Gaffney, JS et al; Env Sci Tech 21: 519-23 (1987) (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. Vol 4. Design Inst Phys Prop Data, Amer Inst Chem Eng, NY, NY: Hemisphere Pub Corp (1989)

The Koc of dimethyl sulfide is estimated as 6.3(SRC), using a water solubility of 22,000 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dimethyl sulfide is expected to have very high mobility in soil.
Literature: (1) Suzuki T; J Comp-Aided Molec Des 5: 149-66 (1991) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm as of Oct 1, 2009. (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Air-dried, unsterilized moist, and sterilized moist soils exposed to air initially containing 500 ppm dimethyl sulfide adsorbed an avg of 32, 308, and 10 ug dimethyl sulfide/g soil, respectively, in 15 days(1). Time required for complete sorption of dimethyl sulfide by moist soil from air initially containing 100 ppm dimethyl sulfide: soil 1 (Weller) - 1st exposure 150 min, 2nd exposure 100 min, 3rd exposure 95 min; soil 2 (Harps) - 1st exposure 45 min, 2nd exposure 24 min, 3rd exposure 19 min(1). These data suggest that moist soils have a greater tendency to adsorb dimethyl sulfide than dry soils, and that microbial activity in moist soils may be responsible for greater adsorption(1). When natural gas containing 0.5 pounds of dimethyl sulfide per million cubic feet of gas was passed through a bed of pulverized, dry, montmorillonite clay, dimethyl sulfide exhibited a fast breakthrough (2 hours) and a fast build-up rate in effluent gas (85% of influent concn 4 hours after breakthrough), suggesting that dimethyl sulfide does not adsorb to dry soils(2).
Literature: (1) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976) (2) Williams RP; Oper Sect Proc - Am Gas Assoc pp. T29-T37 (1976)

Isobutylcarbinol

isopentylalcohol

Isopentylalkohol

ISOAMYLALCOHOL

Isopentanol

Alcool isoamylique

Fuseloel

Isoamylol

Isobutyl carbinol

Isopentyl alcohol

PHTQWCKDNZKARW-UHFFFAOYSA-N

Amylowy alkohol

Fermentation amyl alcohol

Iso-amylalkohol

Isoamyl alcohol

Isoamyl alkohol

isoamyl-alcohol

Alcool amilico

Primary isoamyl alcohol

3-methylbutanoI

3-Methylbutanol

Fusel Oil

AC1Q7CHF

Iso-amyl alcohol

potato-spirit oil

ACMC-1ADLL

Huile de fusel

i-Amyl Alcohol

Isoamyl alcohol, primary

3-Methylbutanol, analytical standard

DEM9NIT1J4

3-methyl butanol

3-methyl-Butanol

3-Metil-butanolo

AC1L1L9D

AC1Q1PG0

ISOAMYL ALCOHOL, ACS

Alcool isoamylique [French]

isopentan-1-ol

UNII-DEM9NIT1J4

Alcool amilico [Italian]

Amylowy alkohol [Polish]

Iso-amylalkohol [German]

Isoamyl alcohol (natural)

KSC175S7D

1-Hydroxy-3-Methylbutane

7340AF

Isoamyl alkohol [Czech]

NATURAL ISOAMYL ALCOHOL - TECHNICAL GRADE

NSC1029

NSC7905

CTK0H5971

HMDB06007

HSDB 605

I0289

Isoamyl alcohol (primary and secondary)

NATURAL ISOAMYL ALCOHOL P & F

QSPL 002

3-methylbutane-1-ol

CHEMBL372396

DB02296

Isopentyl alcohol (8CI)

2-Methyl-4-butanol

3-methyl 1-butanol

3-Methyl-1-butanol

3-Methylbutan-1-ol

C07328

CCRIS 8806

ZINC896830

DTXSID3025469

FEMA Number 2057

Jsp001579

LP092178

LS-2837

NSC 1029

NSC-1029

NSC-7905

OR034211

OR210114

STL282718

UNII-2NK7O363Q6 component PHTQWCKDNZKARW-UHFFFAOYSA-N

ZB015111

3-Metil-butanolo [Italian]

Butanol, 3-methyl-

CHEBI:15837

DSSTox_CID_5469

3-Methyl-1-butanol, analytical standard

AN-22920

ANW-18132

DSSTox_GSID_25469

Isoamyl alcohol (3-methyl butanol)

KB-70935

3-Methyl-Butan-1-Ol

DSSTox_RID_77799

LMFA05000108

Magnesium bis(3-methylbutan-1-olate)

Methyl-3-butan-1-ol

MFCD00002934

ZINC00896830

AI3-15288

Isoamyl alcohol, >=98%, FG

RTR-003692

TR-003692

3-METHYL-1-BUTANOL, REAG

AKOS000118739

FEMA No. 2057

FT-0616032

TRA-0206228

1-Butanol, 3-methyl-

3-Methyl-1-butanol, mixture of isomers

Butan-1-ol, 3-methyl

I14-14690

Z955123582

Isoamyl alcohol, natural, >=98%, FG

Tox21_302359

WLN: Q2Y1 & 1

123-51-3

F0001-0367

3-Methyl-1-butanol, 98%

3-METHYL-BUTAN-(1)-OL

6423-06-9

MCULE-7411270401

NCGC00255329-01

CAS-123-51-3

EINECS 204-633-5

EINECS 229-179-5

3-Methyl-1-butanol, anhydrous, >=99%

3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard

3-Methyl-1-butanol, technical grade, 95%

3-Methylbutanol, BioReagent, for molecular biology, >=98.5%

1973-EP2281899A2

1973-EP2316937A1

3-Methyl-1-butanol, LR, >=98%

3-Methyl-1-butanol, reagent grade, 98%

MolPort-001-793-103

123-51-3 (Parent)

74374-EP2269986A1

74374-EP2308857A1

74374-EP2380568A1

3-Methyl-1-butanol, biotech. grade, >=99%

3-Methyl-1-butanol, ReagentPlus(R), >=99%

117932-EP2287147A2

117932-EP2298768A1

6423-06-9 (magnesium salt)

3-Methyl-1-butanol, ACS reagent, >=98.5%

3-Methyl-1-butanol, JIS special grade, >=98.0%

3-Methyl-1-butanol, SAJ first grade, >=96.0%

3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC)

3-Methyl-1-butanol, p.a., 99.8%

3-Methyl-1-butanol, ACS, 98.5% min. 500ml

3-Methylbutanol, puriss. p.a., ACS reagent, >=98.5% (GC)

3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%

InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H

The Henry's Law constant for isopentanol is 1.41X10-5 atm-cu m/mol(1). Using this value for the Henry's Law constant, one can estimate that the volatilization half-life of isopentanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 2.55 days(2). Similarly, the half-life of isopentanol in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 21 days(2). In view of isopentanol's relatively high vapor pressure, 2.37 mm Hg at 25 deg C(3) and moderate Henry's Law constant and low adsorptivity to soil, isopentanol would be expected to volatilize from dry and moist soil(SRC).
Literature: (1) Butler JAV et al; J Chem Soc 1935: 280-5 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 15 (1982) (3) Riddick JA et al; Organic Solvents 4th ed; pp. 221-2 NY: Wiley (1986)

The Koc for isopentanol estimated from its water solubility, 26.7 mg/L(1), using recommended regression equations are 720(2) and 679(4). However, the chemicals used in developing these equations were mainly pesticides and their structures are not similar to isopentanol. The Koc for isopentanol estimated from molecular structure is 4(3). This should be a reasonable estimate for the Koc because it is close to the experimental value for the structurally similar chemical, 1-pentanol, 1.6(6). According to a suggested classification scheme(5), the estimated Kocs based on molecular structure suggests that isopentanol is very highly mobile in soil(SRC).
Literature: (1) Riddick JA et al; Organic Solvents 4th ed; pp. 211-2 NY: Wiley (1986) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 4 (1982) (3) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (4) Wauchope RD et al; Rev Environ Contam Toxicol 123: 1-155 (1991) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Gerstl Z, Helling CS; J Environ Sci Health B22: 55-69 (1987)

Hydroxyethylbenzene

Phenethylalcohol

Benzeneethanol

Benzylcarbinol

Benzylmethanol

betaphenylethyl alcohol

Benzenethanol

Phenylethanol

beta-Fenethylalkohol

Phenethanol

Phenylethyl alcohol

beta-Fenylethanol

beta-Phenylethanol

Phenethyl alcohol

WRMNZCZEMHIOCP-UHFFFAOYSA-N

2-Hydroxyethylbenzene

benzene-ethanol

Benzyl carbinol

beta-Phenylethyl alcohol

Mellol

PEL

Phenyl ethyl alcohol

2-PHENYLETHANOL

.beta.-Hydroxyethylbenzene

2-Phenethanol

2-Phenylethyl alcohol

AC1Q7CJQ

AC1Q7CJR

beta-PEA

2-Phenethyl alcohol

ACMC-1AZIH

b-pea

Phenethyl Alcohol-d5

Phenyl Ethanol(Natural)

.beta.-Fenethylalkohol

.beta.-Fenylethanol

.beta.-Phenylethanol

2-phenyl ethanol

2-PHENYL-ETHANOL

AC1L1LP9

AC1Q1HG6

beta-Fenethylalkohol [Czech]

.beta.-Phenethanol

.beta.-Phenylethyl alcohol

2-PEA

Methanol, benzyl-

Phenethyl alcohol (natural)

Phenylethyl Alcohol, pharmaceutical secondary standard; traceable to USP

Phenylethyl, beta- alcohol

SCHEMBL1838

.beta.-Phenethyl alcohol

2-Phenylethanol, USP

beta-Fenylethanol [Czech]

KSC237A2B

Phenylethyl alcohol (USP)

S992

PHENYLETHYL, B- ALCOHOL

BDBM85807

ML9LGA7468

P0084

W6811

WLN: Q2R

.beta.-PEA

AS00558

CHEMBL448500

DB02192

NE10237

Phenylethyl alcohol, United States Pharmacopeia (USP) Reference Standard

RL04267

1-Phenyl-2-ethanol

2-phenyl-1-ethanol

2-Phenylethan-1-Ol

bmse000659

C05853

D00192

HMS2093H05

HMS2233H06

HMS3374P04

HSDB 5002

UNII-ML9LGA7468

ZINC895934

2-(2-Hydroxyethyl)benzene

2-Phenylethanol, 99%

BC213746

DTXSID9026342

FEMA Number 2858

LS-2335

NSC_6054

NSC406252

NSC759116

OR034298

OR213561

OR262447

OR279817

SBB040879

STL281950

ZB015067

A832606

CHEBI:49000

DSSTox_CID_6342

Ethanol, 2-phenyl-

AC-18484

AK-59815

AN-23631

ANW-13578

Caswell No. 655C

DSSTox_GSID_26342

EBD2219942

KB-59529

Rose oil (Salt/Mix)

SC-46713

STOCK1N-73254

DSSTox_RID_78104

MFCD00002886

ZINC00895934

AI3-00744

CCG-213419

NSC 406252

NSC-406252

NSC-759116

RTR-037232

ST50214476

TR-037232

AKOS000249688

EPA Pesticide Chemical Code 001503

I01-4509

Q-200318

BRN 1905732

FEMA No. 2858

MLS001066349

MLS001336026

SMR000059156

60-12-8

Z234896351

EN300-19347

ETHYL, 2-HYDROXY-1-PHENYL-

Tox21_113544

Tox21_201322

Tox21_303383

F0001-1575

Phenethyl alcohol, >=99%, FCC, FG

.beta.-P.E.A.

CAS_60-12-8

CAS-60-12-8

1321-27-3

MCULE-8439044075

NCGC00166215-01

NCGC00166215-02

NCGC00166215-03

NCGC00166215-05

NCGC00257347-01

NCGC00258874-01

AB00698274_05

EINECS 200-456-2

Pharmakon1600-01505398

2-Phenylethanol, 98% 250g

Phenethyl alcohol, natural, >=99%, FCC, FG

SR-01000763553

Tox21_113544_1

SBI-0206858.P001

2-Phenylethanol, >=99.0% (GC)

MolPort-000-872-041

12472-EP2287158A1

12472-EP2311801A1

12472-EP2316826A1

12472-EP2372017A1

37330-EP2284157A1

37330-EP2311802A1

37330-EP2311803A1

37330-EP2371814A1

47427-EP2295426A1

47427-EP2295427A1

47427-EP2305673A1

47427-EP2308877A1

47427-EP2311834A1

47427-EP2374783A1

66877-EP2270505A1

66877-EP2281823A2

66877-EP2292612A2

66877-EP2295406A1

66877-EP2298731A1

66877-EP2298772A1

66877-EP2308839A1

196135-EP2272972A1

196135-EP2272973A1

196135-EP2277872A1

SR-01000763553-2

4-06-00-03067 (Beilstein Handbook Reference)

0DE4CADC-AB8A-4038-BD6F-EBD009885652

InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H

The Henry's Law constant for 2-phenylethanol estimated from its vapor pressure, 0.0868 mm Hg at 25 deg C(1), and water solubility, 16,000 mg/L(2), is 1.5X10-7 atm-cu m/mol(SRC). Using this value for the Henry's Law constant, one can estimate a volatilization half-life of 2-phenylethanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 46.5 days(3,SRC). 2-Phenylethanol's relatively low Henry's Law constant and vapor pressure suggest that volatilization from moist and dry soil surfaces will be minimal(SRC).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods, NY: McGraw-Hill Chapt 15 (1982)

Using an estimation method based on molecular connectivity indices(1), the Koc for 2-phenylethanol is estimated to be 29(SRC). According to a suggested classification scheme(2), this Koc value suggests that 2-phenylethanol will have very high mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)