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)

methylheptanone

RHLVCLIPMVJYKS-UHFFFAOYSA-N

EAK

Ethyl pentyl ketone

Ethyl n-amylketone

Amyl ethyl ketone

Ethyl amyl ketone

AC1L6IPW

3-Octanone

3-Oxooctane

Ethyl n-pentyl ketone

1-ethyl hexanal

n-AMYL ETHYL KETONE

Ethyl n-amyl ketone

ACMC-1BU3I

SCHEMBL5593

3-Octanone, analytical standard

KSC176O3D

octan-6-one

Octan-3-one

n-Octanone-3

octane-3-one

UN2271

O0122

CTK0H6731

NSC60161

HSDB 5371

WLN: 5V2

CCRIS 8808

C17145

OR037461

Jsp000594

BBL011431

DTXSID3041954

LP029973

SBB060388

CHEMBL2269087

STL146538

LS-3000

3-Octanone (natural)

2-Heptanone, methyl-

ZINC1690036

A801482

CHEBI:80946

3-Octanone, >=98%

AN-22443

ANW-15422

TRA0051773

NSC 60161

CJ-06451

NSC-60161

DSSTox_GSID_41954

LMFA12000055

DSSTox_CID_21954

ZINC01690036

MFCD00009515

BB_SC-6904

DSSTox_RID_79883

TR-001329

AI3-36116

RTR-001329

KB-183852

ST51046578

AKOS005720776

J-001627

I14-4168

FEMA No. 2803

FT-0694662

FT-0616282

BRN 1700021

79173B4107

Tox21_301208

UNII-79173B4107

3-Octanone, >=98%, FG

106-68-3

NCGC00255105-01

NCGC00248338-01

MCULE-2012071553

EINECS 203-423-0

CAS-106-68-3

MolPort-001-769-802

Ethyl amyl ketone [UN2271] [Flammable liquid]

Ethyl amyl ketone [UN2271] [Flammable liquid]

The Henry's Law constant for 3-octanone is estimated as 1.3X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 2.0 mm Hg(1), and water solubility, 2600 mg/L(1). This Henry's Law constant indicates that 3-octanone 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 11 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 6.8 days(SRC). 3-Octanone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 3-octanone from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976) (2) 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 3-octanone is estimated as 58(SRC), using a water solubility of 2600 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3-octanone is expected to have high mobility in soil.
Literature: (1) Lande SS et al; Investigation of Selected Potential Environmental Contaminants: Ketonic Solvents. USEPA-560/2-76-003. Washington, DC: USEPA, Office of Toxic Substances (1976) (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)

OPFTUNCRGUEPRZ-QLFBSQMISA-N

AC1OCFDE

beta-Elemen

BETA-ELEMENE

Levo-beta-elemene

2QG8CX6LXD

UNII-2QG8CX6LXD

8064AH

SDP-111

CHEMBL448502

C17094

CHEBI:62855

ZINC14096289

E- .beta.-Elemene

2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane

(-)-beta-Elemene

Epitope ID:153551

AKOS028108977

(-)-beta-Elemene, analytical standard

515-13-9

beta-Elemene, (-)-

33880-83-0

20296-36-0

11033-44-6

154028-29-2

1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-cyclohexane

(1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane

(1S,2S,4R)-(-)-1-methyl-1-vinyl-2,4-diisopropenylcyclohexane

Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2S,4R)-

(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane

(1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane

(1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane

Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2S,4R)-

Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S-(1-alpha,2-beta,4-beta))-

Valencene

Valencen

Valencene (natural)

Valencene, 80%

V0117

C17277

96H21P91IG

CHEMBL3186909

Valencene, natural, >=65%

OR020766

DTXSID8047052

AK542447

ZINC1734352

CHEBI:61700

(+)-Valencene

UNII-96H21P91IG

DSSTox_GSID_47052

CJ-29510

DSSTox_RID_82070

MFCD00075884

ZINC01734352

DSSTox_CID_27052

C-54644

(+)-Valencene, analytical standard

NSC 148969

AKOS027460688

FEMA No. 3443

Tox21_302397

4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin

Ambap4630-07-3

4630-07-3

NCGC00256249-01

EINECS 225-047-6

20479-02-1

CAS-4630-07-3

(+)-Valencene, technical, >=70%

4alpha,10alpha-Dimethyl-6beta-isopropyl-.DELTA.1,9-octalin

ent-7betaH-eremophila-10(1),11-diene

4Betah,5alpha-eremophila-1(10),11-diene

4betaH,5alpha-Eremophila-1(10),11-diene (8CI)

(3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene

Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-

Naphthalene, 1,2,3,5,6,7,8,8A-octahydro-1,8A-dimethyl-7-(1-methylethenyl)-, (1R-(1alpha,7beta,8aalpha))-

1,2,3,5,6,7,8,8a-Octahydro-1,8A-dimethyl-7-(1-methylethenyl)naphthalene, (1R-(1alpha,7beta,8aalpha))-

(3R,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene

(1R-(1alpha,7beta,8alpha))-1,2,3,5,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene

YOVSPTNQHMDJAG-QLFBSQMISA-N

BETA-SELINENE

beta-Eudesmene

AC1L9CQH

.beta.-Selinene

.beta.-Eudesmene

C09723

OR115896

CHEMBL2287242

ZINC8234293

CHEBI:10443

(+)-beta-Selinene

LMPR0103190014

(+)-.beta.-Selinene

17066-67-0

Eudesma-4(14),11-diene

Selina-4(14),11-diene

(4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene

[4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene

(4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene

7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-

(4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene

Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-

(3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene

NPNUFJAVOOONJE-BLOBHPOZSA-N

9-epicaryophyllene

9-epi-Caryophyllene

AC1O57WQ

(Z)-caryophyllene

STOCK1N-23145

ZINC49586678

(Z)-.beta.-caryophyllene

AKOS030492450

MolPort-005-909-590

(1S,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

Menthomenthene

YYCPSEFQLGXPCO-UHFFFAOYSA-N

3-Menthene

1-Isopropyl-4-methylcyclohexene

delta1-p-Menthene

AC1Q29WC

3-para-Menthene

AC1L1V1W

3-p-Menthene

1-isopropyl-4-methyl-cyclohexene

4-Methyl-1-iso-propylcyclohexene

CTK5A8685

p-MENTH-3-ENE

.delta.3-p-Menthene

ACM500005

FCH838461

OR038579

OR274050

CHEBI:88834

dl-p-Menth-3-ene

LS-89521

xi-p-Menth-3-ene

1-Isopropyl-4-methyl-1-cyclohexene

AN-21422

1-ISOPROPYL-4-METHYLCYCLOHEX-1-ENE

4-methyl-1-propan-2-ylcyclohexene

ACM29350672

KB-125225

4-Methyl-1-(1-methylethyl)cyclohexene

AKOS006272091

BRN 1850192

1-Isopropyl-4-methyl-1-cyclohexene #

500-00-5

2230-69-5

EINECS 207-896-4

Cyclohexene, 4-methyl-1-(1-methylethyl)-

4-methyl-1-(propan-2-yl)cyclohex-1-ene

2-05-00-00053 (Beilstein Handbook Reference)

3-Cyclohexen-1-ol,1-methyl-4-(1-methylethyl)-

p-Menth-3-ene, (R)-(+)-

Cyclohexene, 4-methyl-1-(1-methylethyl)-, (R)-

Cyclohexene, 4-methyl-1-(1-methylethyl)-, (4R)-

7-epi-alpha-selinene

C20159

CHEBI:62224

7betaH-eudesma-3,11-diene

(-)-7-epi-alpha-selinene

(2S,4aR,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene

YMBFCQPIMVLNIU-SOUVJXGZSA-N

trans-alpha-Bergamotene

exo-alpha-bergamotene

AC1O57WT

(E)-alpha-bergamotene

C20811

AK312508

CHEBI:62756

599TK2712C

ZINC59587970

(-)-trans-alpha-bergamotene

UNII-599TK2712C

(-)-exo-alpha-bergamotene

AKOS027321946

.alpha.-trans-.beta.-Bergamotene

bergamotene (Z,.alpha.,cis)

13474-59-4

alpha-Bergamotene, (E)-(-)-

2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-, trans-(-)

(1S,5S,6R)-4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene

(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene

OZQAPQSEYFAMCY-QLFBSQMISA-N

ALPHA-SELINENE

99ZHA8F274

CHEBI:59961

Eudesma-3,11-diene

UNII-99ZHA8F274

473-13-2

2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

(2R-(2alpha,4aalpha,8abeta))-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene

(2R,4aR,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene

Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, (2R-(2alpha,4aalpha,8abeta))-

aristolochene

YONHOSLUBQJXPR-KCQAQPDRSA-N

AC1LCV31

(+)-Aristolochene

C02004

4,5-di-epi-Aristoloshene

OR210078

CHEBI:43445

DTXSID90349637

7betaH-eremophila-9,11-diene

(1S,7S,8aR)-aristolochene

LMPR0103270003

123408-96-8

(4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene

(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene 7betaH-eremophila-9,11-diene

aristolochene

AC1L4PLW

AC1Q29ZF

CTK4F8223

(-)-aristolochene

CHEBI:18027

DTXSID60181167

(1R,7R,8aS)-aristolochene

4betaH,5alpha-eremophila-9,11-diene

26620-71-3

(4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

(4R,4aS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene

Naphthalene, 1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R-(1alpha,7beta,8aalpha))-

Naphthalene,1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-

WNRBYZQFEBIUGD-UHFFFAOYSA-N

AC1LAWQ4

3,7(11)-Eudesmadiene

Selina-3,7(11)-diene

seli-3,7(11)-diene

5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene

4a,8-dimethyl-2-(propan-2-ylidene)-1,2,3,4,4a,5,6,8a-octahydronaphthalene

4a,8-Dimethyl-2-(1-methylethylidene)-1,2,3,4,4a,5,6,8a-octahydronaphthalene-, (4aR-trans)-