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)

QPRQEDXDYOZYLA-UHFFFAOYSA-N

sec-Butylcarbinol

DL-sec-Butylcarbinol

2-Methylbutanol

Primary active amyl alcohol

Active amyl alcohol

Active primary amyl alcohol

AC1L1RKY

2-Methylbutyl alcohol

dl-sec-Butyl carbinol

2-methyl butanol

2-methyl-butanol

ACMC-1AU5T

KSC174S1N

AC1Q2S95

Nat.L-2-Methylbutanol

3-Methyl iso-butanol

7337AF

NSC8431

2-Methyl-n-butanol

CTK0H4916

M0175

RP18502

CHEMBL451923

ACMC-209de6

NE10348

2-Methylbutan-1-ol

HSDB 5626

CH3CH2CH(CH3)CH2OH

CCRIS 8805

2-METHYL-1-BUTANOL

2-Methyl butanol-1

LTBB003178

OR299404

NSC-8431

DTXSID5027069

NSC 8431

OR035255

Jsp002256

DSSTox_CID_7069

Butanol, 2-methyl-

CHEBI:48945

(-)2-methylbutanol

DSSTox_GSID_27069

AN-23135

L-2-Methyl-1-butanol

LS-46573

DL-2-Methyl-1-butanol

D-2-METHYL-1-BUTANOL

ANW-42009

TRA0021730

AN-19734

SC-94933

SC-08990

2-Methyl-1-butanol, analytical standard

Methyl-2-butan-1-ol

DSSTox_RID_78299

LMFA05000104

2-Methyl-Butan-1-Ol

MFCD00004743

DB-003288

TR-004975

RTR-004975

AI3-24190

J-510045

AKOS009159118

(+)-2-methylbutanol

FT-0691797

FT-0612896

BRN 1718810

DL-2-METHYL-1-BUTANOL, PRACT

I14-16605

1-Butanol, 2-methyl-

WLN: Q1Y2 & 1

Tox21_303200

Tox21_201558

F0001-0469

137-32-6

2-Methyl-1-butanol, >=99%

3B1-001142

NCGC00259107-01

MCULE-6521026296

NCGC00249069-01

( inverted exclamation markA)-2-Methyl-1-butanol

NCGC00256976-01

CAS-137-32-6

EINECS 205-289-9

EINECS 252-163-4

34713-94-5

(1)-2-Methylbutan-1-ol

2-Methyl-1-butanol, >=99%, FG

MolPort-001-783-235

2-Methyl-1-butanol, natural, 99%, FG

(+/-)-2-Methyl-1-butanol

4-01-00-01666 (Beilstein Handbook Reference)

(+/-)-2-Methyl-1-butanol, >=98.0% (GC)

2-Methyl-1-butanol has an experimentally measured Henry's Law constant of 1.41X10-5 atm-cu m/mole at 25 deg C(1). This value of Henry's Law constant indicates that volatilization from environmental waters is slow, but may be significant from shallow rivers(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 61 hr(2,SRC). Volatilization half-life from an model environmental pond can be estimated to be about 28 days(3,SRC).
Literature: (1) Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill pp. 15-15 to 15-29 (1982) (3) US EPA; EXAMS II Computer Simulation (1987)

Based upon a water solubility of 30,000 mg/l at 25 deg C(1), the Koc for 2-methyl-1-butanol can be estimated to be 15 from a regression-derived equation(2,SRC). Based upon a measured log Kow of 1.29(3), the Koc for 2-methyl-1-butanol can be estimated to be 120 from a regression-derived equation(2,SRC). These BCF values suggest that 2-methyl-1-butanol has high to very high soil mobility(4).
Literature: (1) Barton AFM; Alcohols With Water. International Union of Pure and Applied Chemistry. Solubility Data Series. Vol 15 (1984) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill p. 4-9 (1982) (3) Valvani SC et al; J Pharm Sci 70: 502-7 (1981) (4) Swann RL et al; Res Rev 85: 23 (1983)

Monocyclic terpenealcohols

CARVOMENTHENOL

Terpineol schlechthin

TERPINEOLS

Terpenol

Terpineol

WUOACPNHFRMFPN-UHFFFAOYSA-N

alpha-Terpinenol

alpha-TERPINEOL

Terpene alcohol

Terpineol Normal

alpha-Terpineol, primary pharmaceutical reference standard

TERPINEOL OR

alpha-Terpineol, AldrichCPR

alpha-Terpineol, analytical standard

dl-alpha-Terpineol

TERPINEOL, ALPHA

DL a-terpineol

Terpineol, mixed isomers

1-alpha-terpineol

Mixture of p-methenols

Terpineol (natural)

.alpha.-Terpineol

Alpha-Terpineol, Mixture of Isomers

Terpilenol, alpha-

AC1L29B5

alpha-Terpineol (natural)

KSC486Q4B

Terpineol 350

SCHEMBL28466

CTK3I6840

V0385

CHEMBL449810

NSC21449

PC 593

C16772

CCRIS 3204

HSDB 5316

1-.alpha.-Terpineol

1-Menthene-8-ol

AK122298

DTXSID5026625

FEMA Number 3045

LS-3106

NSC403665

OR034447

OR126371

OR342936

OR343294

SBB061191

4-Trimethyl-3-cyclohexene-1-methanol

CHEBI:22469

DSSTox_CID_6625

AN-18294

AN-19422

AN-24486

DSSTox_GSID_26625

DSSTox_GSID_40775

NSC 21449

NSC-21449

SC-46794

alpha-Terpineol, 90%, technical grade

Caswell No. 823

DSSTox_RID_78167

DSSTox_RID_79596

MFCD00001557

MFCD00166983

1-p-Menthen-8-ol

AI3-00275

alpha,alpha,4-Trimethyl-3-cyclohexene-1-methanol

KB-223071

LS-148797

NSC-403665

ST24039469

ST50824481

TR-030336

AKOS015840815

EPA Pesticide Chemical Code 067005

J-500272

Menth-1-en-8-ol

W-100076

BRN 1906604

FEMA No. 3045

FT-0622202

FT-0698995

98-55-5

I14-51686

d-1-p-Menthen-8-ol

p-Menth-1-en-8-ol

Tox21_112118

Tox21_200112

Tox21_302298

(+)-.alpha.-Terpineol

CAS-98-55-5

1-Methyl-4-isopropyl-1-cyclohexene-8-ol

2438-12-2

3-Cyclohexene-1-methanol,.alpha.4-trimethyl-

8000-41-7

8031-32-1

MCULE-9798755896

NCGC00164431-01

NCGC00248528-01

NCGC00255464-01

NCGC00257666-01

1-Methyl-4-isopropyl-1-cyclohexen-8-ol

3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-

EINECS 202-680-6

EINECS 219-448-5

EINECS 232-268-1

p-Menth- 1-en-8-ol

11103-96-1

22347-88-2

37195-01-0

CAS-8000-41-7

SR-01000944873

2-(4-Methyl-3-cyclohexenyl)-2-propanol

2-(4-methylcyclohex-3-enyl)propan-2-ol

3-Cyclohexene-1-methanol, ?,?,4-trimethyl-

MolPort-002-042-108

(1)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanol

SR-01000944873-1

68540-43-2 (hydrochloride salt)

(1R)-a,a,4-trimethyl-3-cyclohexene-1-methanol

3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl-

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-

2-(4-methyl-1-cyclohex-3-enyl)-propan-2-ol

3-Cyclohexene-1-methanol, ?,?,4-trimethyl-, (R)-

3-Cyclohexene-1-methanol, ?,?,4-trimethyl-, (S)-

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)-

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1R)-

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (1S)-

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt, (1S)-

3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, sodium salt (1:1), (1S)-

The Henry's Law constant for alpha-terpineol is reported as 2.23X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that alpha-terpineol 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 20 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 150 days(SRC). alpha-Terpineol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). alpha-Terpineol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0423 mm Hg at 24 deg C(3).
Literature: (1) Copolovici LO, Niinemets U; Chemosphere 61: 1390-400 (2005) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Li J, Perdue, EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

1:8 OR MORE IN 50% ALCOHOL; SOL IN PROPYLENE GLYCOL
Literature: Fenaroli's Handbook of Flavor Ingredients. Volume 2. Edited, translated, and revised by T.E. Furia and N. Bellanca. 2nd ed. Cleveland: The Chemical Rubber Co., 1975., p. 522
Literature: #Very soluble in benzene, acetone
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 88TH Edition 2007-2008. CRC Press, Taylor & Francis, Boca Raton, FL 2007, p. 3-468
Literature: #Very soluble in alcohol, ether
Literature: Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 12th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2012., p. 4151
Literature: #In water, 7100 mg/L at 25 deg C
Literature: Li J, Perdue EM; Preprints of Papers Presented at the 209th ACS National Meeting, Anaheim, CA, April 2-7, 1995, 35: 134-7 (1995)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha-terpineol can be estimated to be 80(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha-terpineol 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 29, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) 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))-

Isopropylmethylcyclohexane, tetradehydro derivative

PHELLANDRENE

Menthadiene

alpha-Fellandrene

PHELLANDRENE,ALPHA

alpha Phellandrene

alpha-Phellandren

OGLDWXZKYODSOB-UHFFFAOYSA-N

ALPHA-PHELLANDRENE

MENTHANE TETRADEHYDRO DERIVATIVE

Menthane, tetradehydro derivative

a-phellandrene

1-phellandrene

Dihydro-p-cymene

.alpha.-Phellandrene

AC1L1OT7

alpha-Phellandrene (natural)

.alpha.-Fellandrene

AC1Q29WV

Phellandrene, alpha-

5731AF

NSC1842

CTK3J3667

M0051

ACMC-209t0j

HSDB 1130

DTXSID4047593

CHEMBL3188459

LS-3023

NSC-1842

OR038356

OR213985

OR260482

CHEBI:50035

ANW-41873

AN-24525

DSSTox_GSID_47593

(-)-??-Phellandrene

p-Mentha-1,5-diene

MFCD00040419

C-54386

DSSTox_RID_82440

DSSTox_CID_27593

TR-030690

RTR-030690

DB-070271

AKOS015913085

FT-0607984

FEMA No. 2856

BRN 1280394

99-83-2

5-Isopropyl-2-methyl-1,3-cyclohexadiene

1-Methyl-4-isopropyl-1,5-cyclohexadiene

I14-46722

2-Methyl-5-isopropyl-1,3-cyclohexadien

1-Isopropyl-4-methyl-2,4-cyclohexadiene

2-Methyl-5-isopropyl-1,3-cyclohexadiene

alpha-Phellandrene, natural, >=85%, FG

5-isopropyl-2-methylcyclohexa-1,3-diene

4-Isopropyl-1-methyl-1,5-cyclohexadiene

Tox21_302550

(+)-.alpha.-phellandrene

CAS-99-83-2

5-isopropyl-2-methyl-cyclohexa-1,3-diene

NCGC00256667-01

1330-17-2

1329-99-3

4221-98-1

EINECS 252-034-2

EINECS 215-532-0

EINECS 202-792-5

13811-01-3

25377-78-0

2-methyl-5-propan-2-ylcyclohexa-1,3-diene

(-)-p-Mentha-1,5-diene

2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene

(-)-5-Isopropyl-2-methyl-1,3-cyclohexadiene

Cyclohexane, 1-methyl-4-(1-methylethyl)-, tetradehydro deriv.

2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene

3-05-00-00342 (Beilstein Handbook Reference)

1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-

(-)-2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene

1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (R)-

1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5R)-

p-Isopropylmethylbenzene

p-Methylisopropylbenzene

4-Methylisopropylbenzene

Paracymene

Paramethyl-isopropyl-benzene

Camphogen

Dolcymene

HFPZCAJZSCWRBC-UHFFFAOYSA-N

p-Isopropyltoluene

Paracymol

CYMENE

P- Isopropylmethylbenzene

4-Isopropyltoluene

4-Isopropyltoluene|

Cymol

p-Methylcumene

PARACYMENE PF

4-Isopropylbenzyl radical

4-Isopropyltoluol

4-methyl isopropylbenzene

MML

p-Isopropyltoluene, analytical standard

para cymene

Para-cymene

AC1L1OTG

AC1MR1RS

p-Cimene

P-CYMENE

p-Cymol

4-iso-Propyltoluene

p-methyl cumene

p-methyl-Cumene

4-Cymene

4-methyl isopropyl benzene

2-p-Tolylpropane

4-Cymol

p-Cymene, analytical standard

1-Isopropyl-4-methylbenzene

1-Methyl-4-isopropylbenzene

4-Isopropyl-1-methylbenzene

4-Methyl-1-isopropylbenzene

KSC555A9F

ACMC-209sea

NSC4162

1G1C8T1N7Q

CTK4F5092

HMDB05805

S0664

1-isopropyl-4-methyl-Benzene

1-Methyl-4-isopropyl benzene

CHEMBL442915

Cymene, p-

UNII-830CI19HHD component HFPZCAJZSCWRBC-UHFFFAOYSA-N

Benzene,methyl(1-methylethyl)-

bmse000503

C06575

Cumene, p-methyl-

HSDB 5128

UNII-1G1C8T1N7Q

ZINC968246

AK105981

BT000135

DTXSID3026645

LS-2649

NSC 4162

NSC-4162

OR034341

OR109743

OR240709

SBB060399

ZB015527

4-methyl-1-(methylethyl)benzene

CHEBI:28768

DSSTox_CID_6645

Methyl-4-(1-methylethyl)benzene

p-Cymene, 99%

AJ-24581

AN-24528

ANW-41072

CJ-04640

DSSTox_GSID_26645

DSSTox_RID_78172

MFCD00008893

ZINC00968246

AI3-02272

KB-192943

p-Cymene, certified reference material, TraceCERT(R)

ST51046586

TR-030492

1-methyl-4-propan-2-ylbenzene

AKOS000121521

benzene, 1-methyl-4-methylethyl-

W-100013

Benzene, 1-isopropyl-4-methyl-

FEMA No. 2356

FT-0689324

1-(1-methylethyl)-4-methylbenzene

1-Methyl-4-(1-methylethyl)benzene

99-87-6

I14-20073

LMPR0102090014

p-Cymene, >=97%, FG

Tox21_201932

Tox21_300338

F8889-6466

p-Mentha-1,3,5-triene

CAS-99-87-6

1-Methyl-4-(1-methylethyl)-benzene

4939-75-7

BENZENE,1-ISOPROPYL,4-METHYL P-CYMENE

MCULE-1794861612

NCGC00247998-01

NCGC00247998-02

NCGC00254425-01

NCGC00259481-01

EINECS 202-796-7

WLN: 1Y1 & R D1

1-methyl-4-(propan-2-yl)benzene

25155-15-1

4-methyl-1-(propan-2-yl)benzene

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

Benzene,1-Methyl-4-(1-Methylethyl)-

MolPort-003-929-568

p-Cymene [UN2046] [Flammable liquid]

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

ETHYL, 1-METHYL-1-(4-METHYLPHENYL)-

p-Cymene [UN2046] [Flammable liquid]

InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H

The Henry's Law constant for p-cymene is estimated as 0.011 atm-cu m/mole(SRC), derived from its vapor pressure, 1.5 mm Hg(1), and water solubility, 23.4 mg/L(2). This Henry's Law constant indicates that p-cymene is expected to volatilize rapidly 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 3.5 hours if adsorption is neglected(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 4.6 days if adsorption is neglected(SRC). The volatilization half-life from a model pond is about 30 days if adsorption is considered(4). p-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). p-Cymene is expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1996) (2) Banerjee S et al; Environ Sci Technol 11: 1227-29 (1980) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington

Using a structure estimation method based on molecular connectivity indices(1), the Koc of p-cymene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that p-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of July 29, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

ALPHA-CARYOPHYLLENE

Humulene

FAMPSKZZVDUYOS-HRGUGZIWSA-N

alpha-Humulene

alpha-Humalene

AC1NQYKM

alpha-Humulene, analytical standard

.alpha.-Caryophyllene

.alpha.-Humulene

6292AF

54W56MD2WD

CHEMBL251280

UNII-54W56MD2WD

CHEBI:5768

C09684

OR325391

OR031368

LS-58866

DTXSID30858793

ZINC30726967

3,7,10-Humulatriene

MFCD00042689

AKOS015965488

BRN 3240075

FT-0622161

LMPR0103110001

(1E,4E,8E)-alpha-humulene

6753-98-6

EINECS 229-816-7

65907-25-7

19132-75-3

alpha-Humulene, >=96.0% (GC)

2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene

2,6,6,9-tetramethyl-cycloundeca-1,4,8-triene

trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene

4-05-00-01171 (Beilstein Handbook Reference)

(E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene

(1E,4E,8E)-humula-1(11),4,8-triene

2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene (E,E,E)-

(1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene

(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene

1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-

Cycloundeca-1,4,8-triene,2,6,6,9-tetramethyl-, (E,E,E)-

2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene-, (1E,4E,8E)-

1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-

Neoalloocimene

Alloocimene

Allocymene

GQVMHMFBVWSSPF-SOYUKNQTSA-N

Alloocimene mixed isomers

trans,trans-Alloocimene

ALLO-OCIMENE

trans-allo-ocimene

AC1NSRS8

cis-Allo-ocimene

OCIMENE, ALLO

J9D0BS5BZN

ALLOCYMENE APPROX.80%

UNII-J9D0BS5BZN

Z-Neo-allo-ocimene

5730AF

6TF53L340E

4-trans-6-trans-alloocimene

OCIMENE, A110

BBL027750

CHEMBL2268552

LP084517

NSC406263

STL146333

DSSTox_CID_7288

UNII-6TF53L340E

ZINC1599076

CHEBI:90064

ACM3016191

LS-98066

DSSTox_GSID_27288

AN-20875

TL8004748

LMFA11000042

ZINC01599076

MFCD00009278

DSSTox_RID_78388

(4E,6E)-Allocimene

(4E,6E)-Alloocimene

BB_NC-1504

LS-169463

KB-166030

NSC 406263

NSC-406263

TR-022641

AI3-00737

W-109590

W-109849

AKOS005720971

FT-0610684

I14-48348

I14-51634

Tox21_202278

Tox21_303244

673-84-7

NCGC00259827-01

NCGC00257015-01

NCGC00249203-01

7216-56-0

3016-19-1

EINECS 221-153-1

EINECS 211-614-5

CAS-673-84-7

23487-64-1

17627-39-3

17627-38-2

2,6-Dimethyl-2,4E,6E-octatriene

2,6-Dimethyl-2,4,6-octatriene

2,6-Dimethylocta-2,4,6-triene

MolPort-002-507-459

2,4,6-Octatriene,2,6-dimethyl-

2,6-dimethyl-octa-2,4,6-triene

2,4,6-Octatriene, 2,6-dimethyl-

2,6-Octatriene, 2,6-dimethyl- (VAN8C

2,6-Dimethyl-octa-2,4,6-triene, trans

(2E)-3,7-Dimethyl-2,4,6-octatriene

(2Z)-3,7-Dimethyl-2,4,6-octatriene

(E,E)-2,6-Dimethylocta-2,4,6-triene

(E,E)-2,6-Dimethyl-2,4,6-octatriene

2,6-Dimethyl-2,4,6-octatriene, technical grade, 80%

(4E,6E)-2,6-dimethylocta-2,4,6-triene

(4E,6E)-2,6-Dimethyl-2,4,6-octatriene

2,4,6-Octatriene, 2,6-dimethyl-, (E,E)-

2,4,6-Octatriene, 2,6-dimethyl- (VAN) (8CI)

2,4,6-Octatriene, 2,6-dimethyl-, (4E,6E)-

2,4,6-Octatriene, 2,6-dimethyl- (VAN) (8CI)(9CI)

m-Methylisopropylbenzene

meta-isopropyltoluene

3-Methylisopropylbenzene

XCYJPXQACVEIOS-UHFFFAOYSA-N

m-Isopropyltoluene

3-Isopropyltoluene

meta-cymene

beta-Cymene

M-CYMENE

m-Cymol

AC1L1VZZ

ACMC-1BMPS

m-Cymene, analytical standard

1-Isopropyl-3-methylbenzene

3-Methyl-1-isopropylbenzene

1-Methyl-3-isopropylbenzene

5135AE

.beta.-Cymene

ARONIS24108

C0798

CTK8B1847

NSC73975

1-Methyl-3-isopropyl benzene

UNII-830CI19HHD component XCYJPXQACVEIOS-UHFFFAOYSA-N

10ZH8R921S

HSDB 3428

SBB061535

OR009095

DTXSID2060206

OR111539

m-Cymene, 99%

UNII-10ZH8R921S

3-methyl-1-(methylethyl)benzene

Z-0808

ZINC1699438

FCH1115287

NSC 73975

NSC-73975

LS-30888

CJ-28584

CC-30175

ANW-31802

ZX-AS004458

ZINC01699438

C-34791

MFCD00008891

TR-018955

ST51047540

1-methyl-3-propan-2-ylbenzene

AKOS005110997

BRN 1851357

FT-0682671

I01-13192

1-Methyl-3-(1-methylethyl)benzene

535-77-3

1-methyl-3-(1-methylethyl) benzene

MCULE-5480201967

1-Methyl-3-(1-methylethyl)-benzene

EINECS 208-617-9

1-methyl-3-(propan-2-yl)benzene

MolPort-003-928-676

m-cymene [UN2046] [Flammable liquid]

Benzene, 1-methyl-3-(1-methylethyl)-

m-cymene [UN2046] [Flammable liquid]

4-05-00-01058 (Beilstein Handbook Reference)

The Henry's Law constant for m-cymene is estimated as 7.15X10-3 atm-cu m/mole(SRC) derived from its vapor pressure, 1.72 mm Hg(1), and water solubility, 42.5 mg/L(2). This Henry's Law constant indicates that m-cymene is expected to volatilize rapidly 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 3.5 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 4.6 days(SRC). m-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of m-cymene from dry soil surfaces may exist based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1989) (2) Lun R et al; J Chem Eng Data 42: 951-53 (1997) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of m-cymene can be estimated to be 1120(SRC). According to a classification scheme(2), this estimated Koc value suggests that m-cymene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 6, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

YHQGMYUVUMAZJR-UHFFFAOYSA-N

Terpilene

ALPHA-TERPINENE

alpha-Terpinen

alpha-Terpinene, analytical standard

AC1L1OTD

.alpha.-Terpinene

alpha - Terpinene

.alpha.-Terpinen

.alpha.-Terpine

M0317

alpha-Terpinene, 85%

ZINC967593

I24X278AP1

CCRIS 9058

C09898

LS-3104

DTXSID9041237

CHEMBL2251642

OR382959

OR382958

OR038359

UNII-I24X278AP1

CHEBI:10334

DSSTox_GSID_41237

BB0295842

AN-24527

SC-20197

1-Methyl-4-isopropylcyclohexadiene-1,3

DSSTox_RID_79657

MFCD00001534

p-Mentha-1,3-diene

DSSTox_CID_21237

AI3-26467

Ambap99-86-5

W-100014

Epitope ID:123897

AKOS015841730

FEMA No. 3558

FT-0622940

I14-51685

1-Isopropyl-4-methyl-1,3-cyclohexadiene

99-86-5

1-isopropyl-4-methylcyclohexa-1,3-diene

1-Methyl-4-isopropyl-1,3-cyclohexadiene

LMPR0102090026

Tox21_301126

CAS-99-86-5

alpha-Terpinene, >=89%, FCC, FG

NCGC00248299-01

NCGC00255025-01

1-isopropyl-4-methyl-cyclohexa-1,3-diene

EINECS 202-795-1

alpha-Terpinene, >=95.0% (GC)

1,3-Cyclohexadiene, 1-methyl-4-isopropyl-

MolPort-003-928-066

1-methyl-4-propan-2-ylcyclohexa-1,3-diene

1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene

1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene

1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-

InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H