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)

gamma-Octanolactone

Gamma Octalactone

IPBFYZQJXZJBFQ-UHFFFAOYSA-N

IPBFYZQJXZJBFQ-UHFFFAOYSA-

GAMMA-OCTALACTONE

Octanoic lactone

gamma-octanolide

gamma-Butyl-gamma-butyrolactone

gamma-Octanoic lactone

Nat.Gamma-Octalactone

gamma-Octalactone, analytical standard

4-Hydroxyoctanoic acid lactone

4-Octanolide

.gamma.-Butylbutyrolactone

gamma-N-Butyl-gamma-butyrolactone

4-Hydroxyoctanoic acid gamma-lactone

4-Butyl-gamma-butyrolactone

.gamma.-Octanolactone

AC1L1PD0

.gamma.-Octalactone

Octanoic acid, gamma lactone

Octan-4-olide

gamma-Octalactone (natural)

5-Butyltetrahydro-2-furanone

5-butyltetrahydrofuran-2-one

M522

Octanolide-1,4

ACMC-20mb6u

ACMC-20mb6t

NSC26509

5-butyloxolan-2-one

NSC24270

4-Butyl-4-hydroxybutyric acid lactone

SCHEMBL111822

8-Oxo-5-octanolide

Octano-1,4-lactone

gamma-Octanoic lactone, 97%

DTXSID1047609

Jsp000443

CHEMBL3559967

HE009526

AK135158

LS-2993

4-Butyl-.gamma.-butyrolactone

.gamma. -0ctalactone

WLN: T5OVTJ E4

Octanoic acid, .gamma. lactone

Octanoic acid, .gamma.-lactone

NSC 24270

KB-52235

DSSTox_GSID_47609

NSC-24270

NSC-26509

AN-24680

.gamma.-Butyl-.gamma.-butyrolactone

MFCD00005402

LMFA07040016

DSSTox_CID_27609

DSSTox_RID_82451

4-Hydroxyoctanoic acid, .gamma.-lactone

AI3-35896

ST24044564

ST50823795

AKOS015904720

I14-4532

5-Butyldihydrofuran-2(3H)-one

W-108811

5-Butyldihydro-2(3H)-furanone

Octanoic acid, 4-hydroxy-, lactone

FEMA No. 2796

FT-0618727

BRN 0111677

gamma-Octalactone, natural, >=97%, FG

.gamma.-N-Butyl-.gamma.-butyrolactone

Tox21_302569

5-Butyldihydro-2(3H)-furanone #

5-Butyl-dihydrofuran-2(3H)-one

gamma-Octalactone, >=97%, FCC, FG

104-50-7

5-butyl dihydro-2(3H)-furanone

NCGC00256744-01

CAS-104-50-7

EINECS 203-208-1

2(3H)-Furanone, 5-butyldihydro-

57084-15-8

107797-25-1

107797-24-0

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

MolPort-001-786-937

2(3H)-Furanone, dihydro-5-butyl-

5-butyl-3,4,5-trihydrofuran-2-one

Octanoic acid, 4-hydroxy-, lactone (6CI)

5-17-09-00073 (Beilstein Handbook Reference)

InChI=1/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3

gamma-Pelargonolactone

gamma-Nonanolactone

gamma-Pelargolactone

apricolin

Gamma-nonalactone

gamma-Nonylactone

gamma-Nonyllactone

OALYTRUKMRCXNH-UHFFFAOYSA-

OALYTRUKMRCXNH-UHFFFAOYSA-N

Prunolide

Coconut aldehyde

delta-n-Amylbutyrolactone

gamma-N-Amylbutyrolactone

gamma-Nonanolide

gamma-Nonlactone

Nonanoic lactone

4-Pentylbutanolide

Cocos aldehyde

gamma-Nonanoic lactone

gamma-Pentyl-gamma-butyrolactone

gamma-Amyl-gamma-butyrolactone

gamma-Nonalactone, analytical reference material

.gamma.-Amylbutyrolactone

4-Hydroxynonanoic acid lactone

4-Nonalactone

4-Nonanolide

AC1L1PDI

AC1Q6HFY

4-Pentyl-butanolide

.gamma.-Nonanolactone

4-Hydroxynonanoic acid gamma-lactone

.gamma.-Nonalactone

5-pentyltetrahydrofuran-2-one

AC1Q2VS3

.gamma.-n-Amylbutyrolactone

.gamma.-Nonalacton

.gamma.-Nonanolide

Nonan-4-olide

.gamma.-Nonanoic lactone

M521

1,4-Nonalolide

4-Hydroxynonanoic acid, gamma-lactone

Aldehyde C-18

N0285

5-pentyloxolan-2-one

CHEMBL191935

NSC24253

NSC46099

SCHEMBL112484

1,4-Nonyl lactone

4-Amyl-4-hydroxybutyric acid lactone

gamma-Nonanoic lactone, 97%

HSDB 5360

BBL027520

DTXSID0034229

FEMA Number 2781

Jsp000449

LP031984

LS-2984

Nonan-1,4-olide

STL373781

5-pentyl-tetrahydro-furan-2-one

5-Pentyl-.gamma.-lactone

AN-24686

DSSTox_GSID_34229

NSC 24253

NSC 46099

NSC-24253

NSC-46099

5-Pentyl-dihydro-furan-2-one

BB_NC-2032

BDBM50167995

DSSTox_CID_14229

DSSTox_RID_79128

LMFA07040021

MFCD00005403

.gamma.-Amyl-.gamma.-butyrolactone

4-Hydroxynonanoic acid, .gamma.-lactone

5-pentyldihydrofuran-2(3H)-one

AI3-02457

TR-001010

( -)-gamma-Nonalactone

AKOS015904806

J-001202

FEMA No. 2781

FT-0686718

5-Pentyldihydro-2(3H)-furanone #

DIHYDRO-5-PENTYL-2(3H)-FURANONE

Dihydro-5-pentylfuran-2(3H)-one

Nonanoic acid, 4-hydroxy-, gamma-lactone

Tox21_301039

104-61-0

Dihydro-5-pentyl-2(3H)-furanon

gamma-Nonanoic lactone, natural, 98%, FG

gamma-Nonanoic lactone, >=98%, FCC, FG

MCULE-8658118167

NCGC00164129-01

NCGC00164129-02

NCGC00254941-01

(3H)-Dihydro-5-pentyl-2-furanone

CAS-104-61-0

EINECS 203-219-1

57084-16-9

82373-92-0

EC 203-219-1

2(3H)-Furanone, dihydro-5-pentyl-

MolPort-000-856-082

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

(.+/-.)-.gamma.-Nonalactone

InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3

The Henry's Law constant for dihydro-5-pentyl-2(3H)-furanone is estimated as 1.7X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dihydro-5-pentyl-2(3H)-furanone 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 10 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 7 days(SRC). Dihydro-5-pentyl-2(3H)-furanone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.2X10-2 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

In water, 1201 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Soluble in alcohol, most fixed oils, propylene glycol; 1:1 in 60% alcohol
Literature: Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 1480
Literature: #Soluble in five volumes of 50% alcohol; soluble in most fixed oils and mineral oil; practically insoluble in glycerol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 906

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dihydro-5-pentyl-2(3H)-furanone can be estimated to be 120(SRC). According to a classification scheme(2), this estimated Koc value suggests that dihydro-5-pentyl-2(3H)-furanone is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

gamma-Undecanolactone

Gamma-undecalactone

gamma-n-Heptylbutyrolactone

gamma-Undecanolide

gamma-Undekalakton

Persicol

PHXATPHONSXBIL-UHFFFAOYSA-

PHXATPHONSXBIL-UHFFFAOYSA-N

Undecanoic gamma-lactone

gamma-Heptyl-gamma-butyrolactone

gamma-Undecalactone, analytical standard

Peach aldehyde

Peach lactone

xi-gamma-Undecalactone

Undecanoic ?-lactone

.gamma.-Heptylbutyrolactone

4-Hydroxyundecanoic acid lactone

4-Undecanolide

AC1L1PDU

.gamma.-Undecanolactone

.gamma.-Undecalactone

.gamma.-n-Heptylbutyrolactone

.gamma.-Undecalatone

.gamma.-Undecanolide

.gamma.-Undekalakton

5-heptyltetrahydrofuran-2-one

gamma-Undecalactone (natural)

Undecan-4-olide

gamma-Undekalakton [Czech]

Undecanoic .gamma.-lactone

1,4-Hendecanolide

1,4-Undecanolide

M524

Undecanolide-1,4

U0003

5-heptyloxolan-2-one

Aldehyde C-14 peach

CHEMBL195827

NSC46118

NSC76413

SCHEMBL113498

Undecanoic gamma-lactone, 99%

CCRIS 1425

HMS1786B22

AK114195

DTXSID4034287

Jsp000459

LP093758

LS-2358

NSC406421

Undecanoic acid, .gamma.-lactone

CHEBI:89362

WLN: T5OVTJ E7

AN-24690

AX8017400

DSSTox_GSID_34287

KB-52236

NSC-46118

NSC-76413

.gamma.-Heptyl-.gamma.-butyrolactone

4-Hydroxyundecanoic acid, .gamma.-lactone

5-Heptyl-dihydro-furan-2-one

BDBM50168011

DSSTox_CID_14287

DSSTox_RID_79139

LMFA07040030

MFCD00005405

5-Heptyldihydro-2(3H)-furanone

5-Heptyldihydrofuran-2(3H)-one

AI3-00751

KB-246110

NSC 406421

NSC-406421

ST24044763

ST50826887

TR-001023

AKOS001076126

J-001223

BRN 0081943

FEMA No. 3091

FT-0695781

Undecanoic acid, 4-hydroxy-, gamma-lactone

5-Heptyl-dihydrofuran-2(3H)-one

5-Heptyldihydro-2(3H)-furanone #

Dihydro-5-heptyl-2(3H)-furanone

gamma-Undecalactone, >=98%, FCC, FG

Tox21_300063

104-67-6

MCULE-9018416843

NCGC00164025-01

NCGC00164025-02

NCGC00254148-01

2(3H)-Furanone, 5-heptyldihydro-

CAS-104-67-6

EINECS 203-225-4

57084-17-0

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

5-heptyl-3,4,5-trihydrofuran-2-one

MolPort-001-783-108

gamma-Undecalactone, natural (US), >=98%, FG

InChI=1/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3

gamma-Propiobutyrolactone

gamma-Enanthonolactone

gamma-Oenantholacton

gamma-Heptanolactone

VLSVVMPLPMNWBH-UHFFFAOYSA-N

gamma-Heptalactone

Gamma Heptalactone

gamma-Propyl-gamma-butyrolactone

.gamma.-Propiobutyrolactone

AC1Q6HFR

4-Hydroxyheptanoic acid lactone

4-Heptanolide

.gamma.-Heptanolactone

AC1L1PG6

gamma-Heptalactone (natural)

.gamma.-Heptanolide

.gamma.-Heptalactone

5-propyltetrahydrofuran-2-one

Heptan-4-olide

M519

4-Hydroxyheptanoic acid, gamma-lactone

5-PROPYLDIHYDRO-2-FURANONE

5-propyldihydrofuran-2-one

Heptanolide-4,1

1,4-Heptanolide

CTK4F8061

4-Propyl-4-hydroxybutanoic acid lactone

5-propyloxolan-2-one

5-propyl-2-oxolanone

NSC46352

NSC46097

SCHEMBL891524

CHEMBL365316

HE009472

HE292373

LS-2780

DTXSID5047611

Jsp000498

CHEBI:89744

A801165

AN-24706

NSC-46352

NSC 46097

DA-19666

DSSTox_GSID_47611

NSC-46097

DSSTox_RID_82453

LMFA07040012

BDBM50168009

DSSTox_CID_27611

MFCD00036498

.gamma.-Propyl-.gamma.-butyrolactone

5-Propyl-dihydro-furan-2-one

4-Hydroxyheptanoic acid, .gamma.-lactone

TR-001093

5-propyldihydrofuran-2(3h)-one

KB-192088

DB-040600

I14-6125

W-108792

AKOS015905123

FEMA No. 2539

BRN 0109569

Tox21_302676

Dihydro-5-propylfuran-2(3H)-one

Dihydro-5-propyl-2(3H)-furanone

5-Propyldihydro-2(3H)-furanone #

gamma-Heptalactone, >=98%, FCC, FG

105-21-5

(+/-)-gamma-Propyl-gamma-butyrolactone

NCGC00256923-01

1336-71-6

CAS-105-21-5

2(3H)-Furanone,5-propyl-

EINECS 203-279-9

57129-71-2

26524-73-2

(+/-)-4-Heptanolide

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

2(3H)-Furanone, dihydro-5-propyl-

MolPort-001-781-618

(+/-)-Dihydro-5-propyl-2(3H)-furanone

Hendecanaldehyde

Undecanaldehyde

Undecylaldehyde

Hendecanal

UNDECANAL

KMPQYAYAQWNLME-UHFFFAOYSA-N

Undecylic aldehyde

Undecyl aldehyde

n-Undecanal

Undecanal, analytical standard

n-Undecyl aldehyde

AC1L1QGJ

1-Undecanal

aldehyde C11 undecylic

1gt4

B6P0A9PSHN

Undecanal (natural)

AC1Q2VZ8

C11 aldehyde

ACMC-1C9IB

Undecanone, alpha-

UNII-B6P0A9PSHN

KSC176I9N

1e02

Undecanal, 97%

SCHEMBL22333

CTK0H6496

Aldehyde C-11

U0009

DB04093

NSC22578

WLN: VH10

AK122349

LS-3142

LP001419

SBB059873

DTXSID4021688

C-11 aldehyde, undecylic

Aldehyde C-11, undecylic

CHEMBL1236576

ZINC1595727

DSSTox_CID_1688

CHEBI:46202

API0004551

NSC-22578

NSC 22578

ANW-16473

CC-35541

AN-22702

Undecanal, FCC, >=96%

TRA0160394

KB-62198

DSSTox_GSID_21688

DSSTox_RID_76284

C-30889

MFCD00007016

LMFA06000064

RTR-002436

ST24031982

ST51046138

CS-W004300

TR-002436

AI3-05098

J-002779

AKOS009158017

FT-0631645

FEMA No. 3092

BRN 1753213

I14-13646

Tox21_200538

112-44-7

NCGC00258092-01

NCGC00248685-01

MCULE-2842613213

EINECS 203-972-6

CAS-112-44-7

Laurylaldehyde

Laurinaldehyde

Dodecylaldehyde

Dodecanaldehyde

Lauraldehyde

Duodecylic aldehyde

HFJRKMMYBMWEAD-UHFFFAOYSA-N

DODECANAL

Lauryl aldehyde

Lauric aldehyde

Dodecyl aldehyde

n-Lauraldehyde

n-Dodecanal

n-Dodecylic aldehyde

n-Dodecyl aldehyde

Lauric aldehyde, analytical standard

1-Dodecanal

1-Dodecyl aldehyde

C12 aldehyde

Aldehyde C12

AC1L1QH7

AC1Q2W09

KSC490K9P

U222

Lauric aldehyde (natural)

OR6024

Lauraldehyde (8CI)

SCHEMBL75196

D0979

CTK3J0597

Dodecyl aldehyde, 92%

C42O120SEF

NSC46128

NSC52196

NSC55212

C-12 lauric aldehyde

RP24485

UNII-C42O120SEF

C02278

WLN: VH11

DTXSID6021589

LS-2876

LP002398

SBB059874

CHEMBL2228373

ZINC1529404

CHEBI:27836

Aldehyde C-12, lauric

C-12 aldehyde, lauric

TRA0075485

CC-27342

NSC 46128

NSC-46128

API0002468

ANW-42100

NSC-52196

NSC-55212

AN-22707

ZX-AT010639

MFCD00007017

LMFA06000071

C-30890

dodecylaldehyde, dodecanal, lauric aldehyde, lauraldehyde, aldehyde C12

AI3-02459

TR-002448

ST51046139

CS-W004301

DB-041098

RTR-002448

J-002791

J-520425

AKOS009158429

FEMA No. 2615

BRN 1703917

I14-13648

Lauric aldehyde, natural, >=95%, FG

112-54-9

MCULE-3814557174

EINECS 203-983-6

Lauric aldehyde, >=95%, stabilized, FCC, FG

MolPort-001-784-297

4-01-00-03380 (Beilstein Handbook Reference)

InChI=1/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H

butylesterkyselinybenzoove

benzoicacidbutylestet

Butylbenzoate

butylbenzoat

anthrapoleaz

Butylester kyseliny benzoove

XSIFPSYPOVKYCO-UHFFFAOYSA-N

BUTYL BENZOATE

Anthrapole AZ

benzoic acid butyl

Marvanol Carrier BB

1-butylbenzoate

AC1Q2XAF

Butyl benzoate, analytical standard

n-Butyl benzoate

Benzoic Acid Butyl Ester

Dai Cari XBN

AC1L1RJ4

Butylester kyseliny benzoove [Czech]

Benzoic acid n-butyl ester

ACMC-1C7KL

Butyl ester of benzoic acid

1TGZ0D0O8I

I989

KSC178O8D

Benzoic acid, butyl ester

SCHEMBL97514

UNII-1TGZ0D0O8I

NSC8474

WLN: 4OVR

B0066

Butyl benzoate, >=98%

CTK0H8781

NE10655

Butyl benzoate, 99%

Hipochem B-3-M

HSDB 2089

NSC 8474

CHEMBL1868953

NSC-8474

OR033953

SBB060566

AK114221

DTXSID8040694

STL453779

A807102

ZINC1586768

LS-36348

KB-75825

DSSTox_GSID_40694

AN-43781

ANW-20162

AJ-27588

CJ-05549

CJ-25308

ZINC01586768

DSSTox_RID_79547

MFCD00009439

ACN-S002076

DSSTox_CID_20694

TR-004900

ST50405186

ST24046263

RTR-004900

AI3-00521

I01-6448

AKOS009028883

J-006874

BRN 1867073

FT-0623301

Z291836066

Tox21_300510

EN300-19222

136-60-7

F8880-4634

NCGC00254500-01

NCGC00163973-02

NCGC00163973-01

MCULE-4166908075

CAS-136-60-7

EINECS 205-252-7

MolPort-001-783-864

4-09-00-00290 (Beilstein Handbook Reference)

Based upon a water solubility of 59 mg/L(1) and an extrapolated vapor pressure of 0.01 mm Hg at 25 deg C(2), the Henry's Law constant for butyl benzoate can be estimated to be 3.97X10-5 atm cu m/mole; a Henry's Law constant of this magnitude indicates that volatilization from environmental waters is possible, but should not be rapid(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 33 hours(3,SRC). Volatilization half-life from an model environmental pond (2 meters deep) can be estimated to be about 20 days(4,SRC).
Literature: (1) Haas JM et al; Amer Dyestuff Reporter 64: 34, 36, 49 (1975) (2) Katayama H; J Chem Eng Data 33: 75-7 (1988) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods Washington, DC: Amer Chem Soc pp. 15-15 to 15-29 (1990) (4) USEPA; EXAMS II Computer Simulation (1987)

PRACTICALLY INSOL IN WATER
Literature: Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 238
Literature: #SOL IN ALCOHOL, ETHER AND ACETONE
Literature: Lide, D.R. (ed). CRC Handbook of Chemistry and Physics. 72nd ed. Boca Raton, FL: CRC Press, 1991-1992., p. 3-98
Literature: #MISCIBLE WITH OILS AND HYDROCARBONS
Literature: Browning, E. Toxicity and Metabolism of Industrial Solvents. New York: American Elsevier, 1965., p. 590
Literature: #Water solubility of 59 mg/l.
Literature: Haas JM et al; Amer Dyestuff Reporter 64: 34, 36, 49 (1975)

A Koc of 125 was experimentally determined for butyl benzoate(1); this Koc value indicates high soil mobility(2).
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983)

Benzeneacetonitrile

Phenylacetonitrile

Phenacetonitrile

alpha-phenylacetonitrile

benzylcyanide

Benzylkyanid

Benzylnitrile

benzene acetonitrile

benzene-acetonitrile

Phenyl-acetonitrile

alpha-Cyanotoluene

alpha-Tolunitrile

omega-Cyanotoluene

Phenylacetonitrile, liquid

SUSQOBVLVYHIEX-UHFFFAOYSA-N

2-Phenylacetonitrile

2-phenylethanenitrile

aceticacid,phenyl-nitrile

A-TOLUNITRILE

BENZYL CYANIDE

Benzyl nitrile

benzyl-cyanide

(Cyanomethyl)benzene

acetonitrile,phenyl-

Phenyl acetyl nitrile

2-phenyl-acetonitrile

AC1L1RPP

Benzyl cyanide, analytical standard

Acetonitrile, phenyl-

C8H7N

.alpha.-Cyanotoluene

.alpha.-Tolunitrile

.omega.-Cyanotoluene

AC1Q4S1D

Benzylkyanid [Czech]

METHYL, CYANOPHENYL-

Acetic acid, phenyl-nitrile

ACMC-1C0PN

BENZYL CYANIDE-13C

KSC175C3P

NSC3407

PubChem20468

SCHEMBL37831

UN2470

WLN: NC1R

Benzyl cyanide, >=99%

CTK0H5137

P0128

Toluene, alpha-cyano-

AS01366

Benzyl cyanide, 98%

LS-817

RP19286

USAF KF-21

23G40PRP93

C16074

CCRIS 4698

HSDB 2103

CHEMBL3560735

DTXSID2021492

NSC-3407

NSC118418

OR034299

OR218332

OR218333

OR286093

OR377898

SBB058386

UN 2470

A807640

CHEBI:25979

DSSTox_CID_1492

UNII-23G40PRP93

ZINC1666748

AN-23174

ANW-20559

CJ-26987

DEA Code 8735

DSSTox_GSID_21492

KB-47802

SC-26879

TRA0004632

DSSTox_RID_76184

MFCD00001894

ZINC01666748

AI3-04975

DB-004016

NSC 118418

NSC-118418

RTC-061401

ST51017243

AKOS000118943

J-519675

S01-0547

Toluene, .alpha.-cyano-

Z57131036

FT-0636686

FT-0657342

LABOTEST-BB LT00891699

OTAVA-BB 1519434

Tox21_200217

140-29-4

F0001-0481

MCULE-3500109780

NCGC00090854-01

NCGC00090854-02

NCGC00257771-01

CAS-140-29-4

EINECS 205-410-5

Phenylacetonitrile, liquid [UN2470] [Poison]

MolPort-001-768-890

Phenylacetonitrile, liquid [UN2470] [Poison]

InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H

The Henry's Law constant for benzyl cyanide is estimated as 1.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 8.9X10-2 mm Hg(1), and water solubility, 100 mg/L(2). This Henry's Law constant indicates that benzyl cyanide 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 6.4 days(SRC). Benzyl cyanide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Benzyl cyanide is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) O'Neil MJ, ed; The Merck Index. 13th ed Whitehouse Station, NJ: Merck and Co., Inc., p.194 (2001) (2) Chemicals Inspection and Testing Institute; Biodegradation and bioaccumulation data of existing chemicals based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (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 benzyl cyanide is estimated as 170(SRC), using a log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzyl cyanide is expected to have moderate mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 39 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Pelargonalkohol

Nonylalkohol

ZWRUINPWMLAQRD-UHFFFAOYSA-N

Pelargonic alcohol

Nonalol

Nonanol

Octyl carbinol

NONYL ALCOHOL

1-Hydroxynonane

n-Nonanol

AC1L1RXY

Nonyl alcohol, Pelargonic alcohol

n-Nonyl alcohol

C9 alcohol

Alcohol C9

NGK73Q6XMC

1-Nonanol

AC1Q2W9K

UNII-NGK73Q6XMC

Alcohol C-9

KSC175S7J

ACMC-209cpi

SCHEMBL19807

CHEMBL24563

NSC5521

Nonan-1-ol

8145AF

BDBM22607

WLN: Q9

N0292

CTK0H5974

Fatty alcohol(C9)

BIDD:ER0370

DB03143

HSDB 5145

Pelargonic alcohol (1-nonanol)

n-Nonan-1-ol

C14696

DTXSID6022008

LS-2991

LP069033

Nonanol-(1)

NSC 5521

NSC-5521

OR001006

SBB059907

STL283956

CHEBI:35986

DSSTox_CID_2008

A808013

ZINC1686993

TRA0009434

KB-13031

ANW-20740

DSSTox_GSID_22008

AN-43934

1-Nonanol, 98%

MFCD00002990

LMFA05000092

DSSTox_RID_76457

AI3-03962

RTR-005495

ST51046174

TR-005495

Nonyl alcohol, >=98%, FCC

AKOS009031412

I14-8771

J-007741

FEMA No. 2789

BRN 0969213

FT-0608164

Tox21_300869

143-08-8

MCULE-4020281400

NCGC00254773-01

NCGC00248194-01

CAS-143-08-8

EINECS 205-583-7

EINECS 249-048-6

28473-21-4

MolPort-001-783-730

81307-EP2272817A1

89678-EP2377844A2

81307-EP2305687A1

81307-EP2380568A1

89678-EP2305033A1

218917-EP2377844A2

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

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

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

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

The Henry's Law constant for 1-nonanol estimated as 3.08X10-5 atm-cu m/mol(SRC) derived from its vapor pressure, 2.27X10-2 mm Hg at 25 deg C(1), and water solubility, 140 mg/L(2). This Henry's Law constant indicates that 1-nonanol is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 1.6 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 15 days(SRC). 1-Nonanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Nonanol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989) (2) Barton AFM; pp. 438 in Solubility Data Series Vol 15 (1984) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

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

Methylheptenone

UHEPJGULSIKKTP-UHFFFAOYSA-N

Sulcatone

0VT

AC1L1TZM

ACMC-1BRGW

Heptenone, methyl-

KSC495C6F

CHEMBL46340

CTK3J5162

X5960

M0252

SCHEMBL157735

NSC66569

NSC15294

ZINC896810

HSDB 5565

C07287

AK116810

Jsp000828

BBL027733

DTXSID5021629

LP088129

LS-2930

ZB015110

STK801685

OR025066

DSSTox_CID_1629

M-7412

CHEBI:16310

NSC-66569

DSSTox_GSID_21629

CJ-04497

TRA0077074

ST2412448

AN-23441

AN-22632

NSC-15294

NSC 15294

AJ-24254

LMFA12000039

ZINC00896810

MFCD00008905

DSSTox_RID_76244

BB_NC-0183

448353S93V

DB-040945

TR-002204

AI3-05639

KB-199571

RTR-002204

W-108682

AKOS006034959

BRN 1741705

FEMA No. 2707

FT-0621226

6-methylheptan-5-ene-2-one

UNII-448353S93V

2-Oxo-6-methylhept-5-ene

2-Methyl-6-oxo-2-heptene

6-Methyl-5-heptene-2-one

I14-17859

6-METHYL-5-HEPTEN-2-ONE

6-Methyl-5-Hepten-2-One Natural

6-Methylhept-5-en-2-one

Tox21_201381

Tox21_302899

2-Methyl-2-hepten-6-one

409-02-9

110-93-0

NCGC00256420-01

NCGC00258932-01

NCGC00249039-01

MCULE-3832720881

6-Methyl-5-hepten-2-one, analytical standard

CAS-110-93-0

EINECS 203-816-7

EINECS 206-990-2

6-methyl-hept-5-en-2-one

2-methyl-hept-2-en-6-one

6-Methyl hept-5-en-2-one

132958-67-9

129085-68-3

MolPort-001-788-424

5-HEPTEN-2-ONE, 6-METHYL-

6-Methyl-5-hepten-2-one (natural)

6-Methyl-5-hepten-2-one, 99%

4-01-00-03493 (Beilstein Handbook Reference)

6-Methyl-5-hepten-2-one, natural, >=98%, FCC

6-Methyl-5-hepten-2-one, >=98%, FCC, FG

6-Methyl-5-hepten-2-one, natural, >=98.0%, FCC

INSOL IN WATER; SOL IN ALL PROP WITH ALCOHOL, ETHER
Literature: Weast, R.C. (ed.). Handbook of Chemistry and Physics. 60th ed. Boca Raton, Florida: CRC Press Inc., 1979., p. C-330