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)

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)

gammabutyrolactone

gamma-Hydroxybutyrolactone

BUTYROLACTONE

butyrolactonL

Butyrylactone

gamma Butyrolactone

gamma-Butanolactone

gamma-Butyrolactone

gamma-Butyryllactone

Hydroxybutanoic Acid Lactone

sigma-Butyrolactone

gama-Butyrolactone

gamma-Butalactone

YEJRWHAVMIAJKC-UHFFFAOYSA-N

2-Oxotetrahydrofuran

Butyryl lactone

g-Butyrolactone

g-Butyryllactone

gamma-Hydroxybutyric acid lactone

gamma-hydroxybutyric acid lactonL

y-Butyrolactone

Agrisynth BLO

BLON

butyrl lactone

g-Butalactone

gamma-Butyrolactone, analytical standard

4-Deoxytetronate

BLO

Butyric acid lactone

g-Hydroxybutyric acid lactone

gamma-butyro-lactone

gamma-Hydroxybutyric Acid cyclic ester

GBL

.gamma.-Hydroxybutyrolactone

4-butanolactone

4-Butyrolactone

4-butyrolactonL

4-Butanolide

4-Hydroxybutanoic acid lactone

AC1L1OGM

AC1Q6EQU

gamma BL

gamma-BL

Tetrahydro-2-furanone

tetrahydrofuran-2-one

2-Oxolanone

4-Deoxytetronic acid

4-Hydroxybutyric acid lactone

4-hydroxybutyric acid lactonL

No Go

.alpha.-Butyrolactone

.gamma.-Butanolactone

.gamma.-Butyrolactone

4-hydroxybutyric acid gamma-lactone

Dihydro-2-furanone

dihydrofuran-2-one

Dihyro-2-furanone

gamm a-hydroxybutyric acid cyclic ester

Gamma-Lactone 4-hydroxybutanoic acid

Gamma-Lactone 4-hydroxybutyric acid

Paint Clean G

gamma-Butyrolactone (natural)

.gamma.-Hydrooxybutyric acid lactone

.gamma.-Hydroxybutyric acid lactone

OL659KIY4X

1,4-Butyrolactone

GTPL5462

KSC492Q2B

oxolan-2-one

WLN: T5OVTJ

.gamma.-Hydroxybutyric acid cyclic ester

1-Oxacyclopentane-2-one

1,2-Butanolide

1,4-Butanolide

4-Hydroxybutyric acid, gamma-lactone

CHEMBL95681

dihydro-furan-2-one

Gamma-Lactone 4-hydroxy-butanoic acid

Gamma-Lactone 4-hydroxy-butyric acid

NSC4592

PubChem17411

UNII-OL659KIY4X

1-Oxacyclopentan-2-one

2(3H)-dihydrofuranone

A4867

and oxolan-2-one

B0767

CTK3J2820

HMDB00549

.gamma.-BL

1,4-Lactone

1,4-lactonL

4-hydroxy-Butanoic acid g-lactone

DB04699

EBD36709

LS40356

RP18446

C01770

CCRIS 2924

DSSTox_CID_224

gamma-6480

HSDB 4290

LTBB001793

AK116990

DTXSID6020224

HE027248

HE261495

HE261496

HE388064

HE419942

LS-2010

NSC 4592

NSC-4592

STL281877

ACMC-209s75

Butanoic acid, .gamma.-lactone

BUTANOIC ACID,4-HYDROXY,LACTONE GAMMA-BUTYROLACTONE

C-1070

CHEBI:42639

Dihydro-2(3H)-furanone

dihydrofuran-2(3H)-one

NCI-C55878

ZINC4658567

AJ-51844

AN-24351

ANW-40815

Butyric acid, .gamma.-lactone

Caswell No. 132B

DSSTox_GSID_20224

SC-18055

TRA0048639

DSSTox_RID_75445

LMFA07040004

ZINC04658567

4-Hydroxybutanoic acid, .gamma.-lactone

4-Hydroxybutyric acid, .gamma.-lactone

AI3-28121

KB-251543

RTR-032131

TR-032131

AKOS000119924

EPA Pesticide Chemical Code 122303

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

I14-6510

J-513020

J-520327

Q-200482

endo-cis-5-Norbornene-endo-2,3-dicarboxylic anhydride

FEMA No. 3291

FT-0622894

FT-0658293

gamma-Butyrolactone, >=99% (GC)

Tetrahydro-2-Furanone Dihydro-2(3H)-Furanone

.gamma.-6480

96-48-0

Dynasolve 699 (Salt/Mix)

Butanoic acid, 4-hydroxy-, gamma-lactone

Butyric acid, 4-hydroxy-, gamma-lactone

Tox21_200490

Tox21_300188

2(3H)-Furanone, dihydro-

3B1-008035

F0001-2298

CAS-96-48-0

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

MCULE-6795890265

NCGC00247920-01

NCGC00247920-02

NCGC00253913-01

NCGC00258044-01

EINECS 202-509-5

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

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

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

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

187997-16-6

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

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

33522-EP2311815A1

33522-EP2371797A1

33522-EP2371798A1

33522-EP2371804A1

80109-EP2272517A1

80109-EP2277871A1

80109-EP2292621A1

80109-EP2305250A1

80109-EP2371797A1

80109-EP2371800A1

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

4-Hydroxybutyric acid gamma-lactone; BLO; endo-cis-5-Norbornene-endo-2,3-dicarboxylic anhydride

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

The Henry's Law constant for butyrolactone is estimated as 5.3X10-8 atm-cu m/mole(SRC) derived from its vapor pressure, 0.45 mm Hg(1), and assigned value for water solubility of 1X10+6 mg/L (miscible)(2). This Henry's Law constant indicates that butyrolactone is expected to be essentially nonvolatile from water surfaces(3). Butyrolactone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not likely to occur(SRC). Butyrolactone is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 0.45 mm Hg(1).
Literature: (1) Yaws CL; Handbook of Chemical Compound Data for Process Safety p. 35 (1997) (2) O'Neil MJ, ed; The Merck Index. 14th ed. Whitehouse Station, NJ: Merck and Co., Inc. pp. 259-60 (2006) (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 butyrolactone is estimated as 11(SRC), using a log Kow of -0.64(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that butyrolactone is expected to have very high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR: Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 9 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc p. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (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

Valerolactone

Gamma Valerolactone

gamma-Pentanolactone

gamma-Valerolactone

gamma-Valeryllactone

GAEKPEKOJKCEMS-UHFFFAOYSA-N

gamma-Pentalactone

gamma-Valerolakton

4-methylbutyrolactone

y-Valerolactone

gamma-Methyl-gamma-butyrolactone

gamma-Valerolactone, analytical standard

4-Pentalactone

4-Valerolactone

4-Hydroxypentanoic acid lactone

4-Pentanolide

AC1L1PUX

AC1Q2QQE

4-Hydroxyvaleric acid lactone

4-Methyl-gamma-butyrolactone

.gamma.-Pentanolactone

.gamma.-Valerolactone

.gamma.-Pentalactone

.gamma.-Valerolakton

5-Methyltetrahydro-2-furanone

5-methyltetrahydrofuran-2-one

gamma-Valerolakton [Czech]

KSC492E8F

Pentanolide-1,4

SCHEMBL37255

4-Methyl-4-hydroxybutanoic acid lactone

CTK3J2282

(R)-?-VALEROLACTONE

5-methyloxolan-2-one

ACMC-2098zm

CHEMBL195593

NE10397

NSC33700

4-Methyl-.gamma.-butyrolactone

CCRIS 3597

Dihydro-5-methyl-2-furanone

AK117314

BBL011475

DTXSID0047618

HE000158

HE094925

HE149712

HE149713

HE294175

Jsp000712

LS-3151

STL146587

CHEBI:48569

Pentanoic acid, .gamma.-lactone

AN-22505

ANW-15920

DSSTox_GSID_47618

NSC 33700

NSC-33700

SC-19108

.gamma.-Methyl-.gamma.-butyrolactone

4-Hydroxypentanoic acid, .gamma.-lactone

5-methyl-dihydro-furan-2-one

BB_SC-7058

BDBM50168010

DSSTox_CID_27618

DSSTox_RID_82456

LMFA07040008

MFCD00005400

5-Methyldihydro-2(3H)-furanone

5-methyldihydrofuran-2(3H)-one

AI3-04327

DB-003681

KB-246622

RTR-001925

ST24029532

TR-001925

AKOS005206963

I14-1390

J-002085

BRN 0080420

FEMA No. 3103

FT-0605160

FT-0626628

gamma-Valerolactone, ReagentPlus(R), 99%

gamma-Valerolactone, natural, 95%, FG

Pentanoic acid, 4-hydroxy-, gamma-lactone

(R)-I(3)-Valerolactone

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

AZ0001-0023

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

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

EN300-61318

gamma-Valerolactone, >=99%, FCC, FG

Tox21_302624

Valeric acid, 4-hydroxy-, gamma-lactone

108-29-2

F0001-0163

Z1251171283

gamma-Valerolactone, Vetec(TM) reagent grade, 98%

MCULE-3014789527

NCGC00256671-01

CAS-108-29-2

dihydro-5-methyl-2(3H)-furanone,

EINECS 203-569-5

57129-69-8

2-FURANYL, TETRAHYDRO-2-METHYL-5-OXO-

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

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

MolPort-003-939-842

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

2(3H)-Furanone, dihydr-5-methyl-

(.+/-.)-4-Methylbutyrolactone

148666-EP2289879A1

148666-EP2374895A1

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

(.+/-.)-.gamma.-Valerolactone

5-17-09-00024 (Beilstein Handbook Reference)

2(3H)-Furanone, dihydro-5-methyl-, (.+/-.)-

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