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)

Benzylcarbinyl acetate

Phenylethyl acetate

MDHYEMXUFSJLGV-UHFFFAOYSA-N

Phenethyl acetate

2-Phenylethylacetate

beta-Phenylethyl acetate

beta-Phenethyl acetate

B-PHENYLETHYL ACETATE

Phenethyl acetate, analytical standard

phenyl ethyl acetate

Acetic acid phenethyl

Acetic Acid Phenethyl Ester

2-Phenylethyl acetate

Phenethyl alcohol, acetate

AC1Q1LCI

Acetic acid beta-phenylethyl ester

2-Phenethyl acetate

2-phenylethyl ester

ACMC-1BYQX

.beta.-Phenylethanol acetate

Acetic acid, phenethyl ester

Acetic Acid 2-Phenylethyl Ester

.beta.-Phenylethyl acetate

Phenylethyl acetate-.beta.

2-PHENYLETHYL ESTER ACETIC ACID

Phenethyl acetate (natural)

KSC175A2N

AC1L1P94

.beta.-Phenethyl acetate

CTK0H5026

2-PHENYL-ETHANOL, ACETATE

A0692

A9933

SCHEMBL111422

AS02439

NSC71927

WLN: 1VO2R

Acetic acid .beta.-phenylethyl ester

Acetic acid, 2-phenylethyl ester

acetic acid 2-phenyl ethyl ester

ZINC388671

FEMA 2857

C12303

AK113963

CHEMBL3184025

OR012804

SBB061194

LS-3024

Jsp000352

SCHEMBL8509205

DTXSID7044506

ZB011647

CHEBI:31988

AJ-20725

CJ-03321

AX8040212

NSC-71927

NSC 71927

CC-33623

ANW-14915

AC-18657

AN-24636

LABOTEST-BB LTBB004791

LABOTEST-BB LTBB003410

KB-25934

DSSTox_GSID_44506

ST2419779

DSSTox_CID_24506

ZINC00388671

MFCD00008720

C-34714

DSSTox_RID_80276

2-Phenethyl acetate, 99%

NCIOpen2_000347

AI3-03878

RTR-000818

67733846OW

ST50405467

AKOS005207039

Ethanol, 2-phenyl-, acetate

W-108850

UNII-67733846OW

FEMA No. 2857

BRN 0638179

I01-10131

Tox21_301027

Phenethyl acetate, >=98%, FCC, FG

103-45-7

MCULE-2877884154

NCGC00248260-01

NCGC00254929-01

EINECS 203-113-5

CAS-103-45-7

Phenethyl acetate, natural, >=98%, FCC, FG

MolPort-002-317-261

InChI=1/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H

ETHYLHEXANOATE

SHZIWNPUGXLXDT-UHFFFAOYSA-N

ETHYL HEXANOATE

NATURAL ETHYL CAPROATE

Ethyl caproate

Ethyl hexoate

Capronic ether absolute

Caproic acid ethylester

Ethyl butyl acetate

Nat.Ethyl Hexanoate

Hexanoic acid ethyl

FLO6YR1SHT

Ethyl hexanoate, analytical reference material

Ethyl n-hexanoate

Ethyl n-hexanoat

Hexanoic Acid Ethyl Ester

Hexanoicacid, ethyl ester

Caproic acid ethyl ester

Ethyl Hexanoate, Natural

UNII-FLO6YR1SHT

2-Ethyl Hexanoate

AC1L1L9S

Ethyl ester of hexanoic acid

Hexanoic acid, ethyl ester

n-Caproic acid ethyl ester

Ethyl hexanoate (caproate)

KSC492C1J

7966AF

SCHEMBL37297

ACMC-209apg

PubChem15737

NSC8882

CTK3J2114

Ethyl hexanoate, >=99%

WLN: 5VO2

CCRIS 6555

LS-2728

NSC 8882

NSC-8882

OR034369

SBB060316

LP030100

DTXSID3021980

DSSTox_CID_1980

CHEBI:86055

ZINC1648304

SC-26717

TRA0079762

DSSTox_GSID_21980

KB-51579

EBD3039504

CJ-26663

CJ-05942

AN-22925

ANW-18146

Hexanoic acid, mixt. with soybean oil epoxide

DSSTox_RID_76440

ZINC01648304

LMFA07010434

MFCD00009511

Ethyl hexanoate (caproate) (natural)

AI3-15347

TR-003708

ST50823925

RTR-003708

Acetic acid, butyl-, ethyl ester

I14-2582

J-004970

AKOS008947981

BRN 1701293

FT-0654031

FEMA No. 2439

Tox21_301217

123-66-0

Ethyl hexanoate, >=98%, FCC, FG

Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide

8068-81-3

MCULE-5403677128

Ethyl hexanoate, SAJ special grade, >=99.0%

NCGC00255157-01

EINECS 204-640-3

CAS-123-66-0

Ethyl hexanoate, natural, >=98%, FCC, FG

MolPort-003-926-588

WE(2:0/6:0)

Citronellol

QMVPMAAFGQKVCJ-UHFFFAOYSA-N

beta-Citronellol

Cephrol

Elenol

Levo-citronellol

Rodinol

DL-Citronellol

Citronellol (natural)

AC1L1RT1

AC1Q2A1O

.beta.-Citronellol

2,3-Dihydrogeraniol

Citronellol, dl-

KSC492E7L

M190

NSC8779

OR6011

SCHEMBL21320

beta-Citronellol, 95%

CTK3J2275

ACMC-2098iz

CHEMBL395827

CCRIS 7452

HMS2267B17

HSDB 6805

BBL009826

DTXSID3026726

LP066349

NSC 8779

NSC-8779

Oils, geranium, sapond.

SBB012357

ST069325

STK085542

CHEBI:50462

DSSTox_CID_6726

AN-22416

ANW-15321

BP-21491

CC-25897

DSSTox_GSID_26726

KB-49088

BB_NC-0067

BDBM50037035

C-33687

DSSTox_RID_78201

MFCD00002935

WLN: Q2Y1&3UY1&1

ZX-AT010559

(+-)-CITRONELLOL

ACM26489010

AI3-25080

DB-074976

RTR-001235

TR-001235

AKOS005393175

BB_NC-00067

W-108771

W-109198

W-110227

(+-)-beta-citronellol

BRN 1721507

FT-0693159

MLS002415719

SMR000112138

(±)--Citronellol

Citronellol, >=95%, FCC, FG

Tox21_202119

Tox21_300003

106-22-9

I14-113476

(+-)-beta;-Citronellol

(+/-)-beta-Citronellol

1335-43-9

Citronellol (ex. Java citronella oil) (natural)

MCULE-4204888723

NCGC00091348-01

NCGC00091348-02

NCGC00091348-03

NCGC00091348-04

NCGC00254145-01

NCGC00259668-01

6-Octen-1-ol,7-dimethyl-

CAS-106-22-9

Citronellol, (+-)-

EINECS 203-375-0

EINECS 247-737-6

(+/-)-beta-Citronellol, analytical standard

26489-01-0

68916-43-8

2,6-Dimethyl-2-octen-8-ol

3,7-DIMETHYL-6-OCTEN-1-OL

3,7-dimethyl-oct-6-en1-ol

3,7-Dimethyloct-6-en-1-ol

Citronellol, mixture of isomers, natural, >=95%, FG

EC 203-375-0

MolPort-001-769-687

3,7-dimethyl-oct-6-en-1-ol

(R)-(+)-.beta.-Citronellol

6-Octen-1-ol, 3,7-dimethyl-

4-01-00-02188 (Beilstein Handbook Reference)

(+/-)-3,7-dimethyloct-6-en-1-ol

The Henry's Law constant for citronellol is estimated as 2.1X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 0.02 mm Hg(1), and water solubility, 200 mg/L(2). This Henry's Law constant indicates that citronellol is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 2.4 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 21 days(SRC). Citronellol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Even though the vapor pressure is low environmentally at standard temperature and pressure, there is a detectable odor; therefore, citronellol may volatilize from dry soil(SRC). Patch testing to determine the evaporation rate of fragrance chemicals from skin found that citronellol evaporation was not sensitive to pH changes from 4.0 to 7.0 and that 26-27% of applied citronellol was lost within 40 minutes to 24 hours(4).
Literature: (1) Sell CS; Terpenoids. Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2015). New York, NY: John Wiley & Sons. Online Posting Date: Sep 15, 2006. (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed. Boca Raton, FL: CRC Press, p. 739 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Gilpin SJ et al; Dermatitis 20(4): 200-7 (2009)

In water, 200 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 739
Literature: #In water, 307 mg/L at 25 deg C; 300 mg/L at 20 deg C
Literature: ECHA; Search for Chemicals. Citronellol (CAS 106-22-9) Registered Substances Dossier. European Chemical Agency. Available from, as of July 16, 2015: http://echa.europa.eu/
Literature: #Soluble in fixed oils, propylene glycol; insoluble in glycerin
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. 1166
Literature: #Miscible in ethanol and ether /(+)-citronellol/; very soluble in ethanol and ether /(-)-citronellol/
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-216

Using a structure estimation method based on molecular connectivity indices(1), the Koc of citronellol can be estimated to be 94(SRC). According to a classification scheme(2), this estimated Koc value suggests that citronellol is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 17, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

UXUPPWPIGVTVQI-UHFFFAOYSA-N

Isobutyl caproate

Isobutyl hexanoate

2-METHYLPROPYL HEXANOATE

Hexanoic Acid Isobutyl Ester

AC1L1PIR

ACMC-1BVWK

iso-Butyl n-hexanoate

hexanoic acid 2-methylpropyl ester

Hexanoic acid, isobutyl ester

Hexanoic acid,2-methylpropyl ester

n-Caproic acid isobutyl ester

AC1Q62TM

Isobutyl caproate (natural)

KSC489Q5L

CTK3I9855

Hexanoic acid, 2-methylpropyl ester

2A3X4W9GZ0

SCHEMBL129293

UNII-2A3X4W9GZ0

2-Methyl-1-propyl caproate

SBB056802

DTXSID0059322

OR011994

Isobutyl hexanoate, natural, >=95%

ZINC2041122

CHEBI:87421

ANW-15277

AN-22392

LS-75328

Isobutyl hexanoate, >=98%, FG

CJ-07662

CJ-32508

TRA0044969

C-53694

LMFA07010729

MFCD00048870

TR-001194

ST50981606

RTR-001194

AI3-24254

AKOS015904122

FEMA No. 2202

FT-0627358

I14-17812

105-79-3

MCULE-1038002118

EINECS 203-332-6

MolPort-003-959-972