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

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)

Pseudopinene

Terebenthene

Pseudopinen

Terbenthene

Nopinene

Rosemarel

WTARULDDTDQWMU-UHFFFAOYSA-N

Nopinen

beta-Pinene homopolymer

beta pinene

BETA-PINENE

ss-Pinene

AC1Q2AIT

B-pinene

beta-Pinene resin

PINENE, BETA

AC1L24RF

I943

Piccolyte 115

.beta.-Pinene

beta-Pinene (natural)

P0441

6,6-Dimethyl-2-methylenenorpinane

CHEMBL501351

laevo-.beta.-Pinene

NSC21447

NSC59190

Beta Pinene 95 PF

Beta Pinene PF 85%

Beta Pinene PF 95%

Beta Pinene T 85%

Beta Pinene T 95%

C09882

HSDB 5615

AK113983

BT000141

DTXSID7027049

Jsp001748

L-.beta.-Pinene

LS-3052

NSC406265

OR025387

OR211823

OR213994

SBB061306

CHEBI:50025

DSSTox_CID_7049

( inverted exclamation markA)-b-pinene

6,6-dimethyl-2-methylene-norpinane

AB1006761

AN-18767

AN-23009

DSSTox_GSID_27049

EBD2156726

NSC 21447

NSC-21447

NSC-59190

SC-48739

D-alpha-PINENE, 95%

DSSTox_RID_78293

2(10)-Pinene

AI3-24483

NSC-406265

ST50330587

AKOS004119987

(-)-b-Pinene

4CH-024531

FEMA No. 2903

FT-0604382

FT-0622936

I14-45220

Pin-2(10)-ene

Tox21_200029

127-91-3

9081-94-1

NCGC00248498-01

NCGC00257583-01

(-)-.beta.-Pinene

CAS-127-91-3

EINECS 204-872-5

EINECS 245-424-9

25719-60-2

37203-45-5

39475-62-2

50922-56-0

51273-99-5

55963-81-0

55963-82-1

59828-47-6

59828-48-7

60976-31-0

211108-08-6

(+)-I(2)-Pinene

MolPort-004-956-468

6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane

6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane

6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane

6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane

(1S)-(-)-b-Pinene

(-)-2(10)-Pinene

Bicyclo[3.1.1]heptane,6-dimethyl-2-methylene-

2,6-Trimethylbicyclo[3.1.1]hept-2-ene

6,6-Dimethyl-2-methylene-bicyclo(3.1.1)heptane

(-)-Pin-2(10)-ene

.beta.-Pinene-(1S)-(-)

(1S)-(-)-.beta.-Pinene

(1S,5S)-2-(10)-Pinene

2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene

Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-

(1)-6,6-Dimethyl-2-methylenebicyclo(3.1.1)heptane

BICYCLO(3.1.1)HEPTANE, 6,6-DIMETHYL-2-METHYLENE-, HOMOPOLYMER

(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1] heptane

6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane-, (S)-

2(10)-Pinene, (1S,5S)-(-)-

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-

Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-

2(10)-Pinene; 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane; Pin-2(10)-ene

The Henry's Law constant for beta-pinene is estimated as 0.16 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that beta-pinene is expected to volatilize rapidly 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 3 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 5 days(SRC). beta-Pinene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 340 days when adsorption is considered(3). beta-Pinene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.93 mm Hg(4).
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; EXAMS II Computer Simulation (1987) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)

ALMOST INSOL 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. 486
Literature: #Soluble in benzene, ethanol and ethyl ether
Literature: Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-436
Literature: #Soluble in alcohol and chloroform
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1283
Literature: #In water, 4.89 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Sept 24, 2008: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

The Koc of beta-pinene is estimated as 4,400(SRC), using a log Kow of 4.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that beta-pinene is expected to have slight mobility in soil.
Literature: The Koc of beta-pinene is estimated as 4,400(SRC), using a log Kow of 4.16(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that beta-pinene is expected to have slight mobility in soil.

Enanthaldehyde

Oenanthaldehyde

Heptanaldehyde

Heptylaldehyde

Heptaldehyde

Enanthal

Enanthic aldehyde

Enanthole

FXHGMKSSBGDXIY-UHFFFAOYSA-N

Heptanal

Oenanthal

Oenanthic aldehyde

Oenanthol

Heptyl aldehyde

Heptaldehyde, analytical standard

n-Heptylaldehyde

n-Heptaldehyde

N-HEPTANAL

1-Heptaldehyde

AC1Q2VTY

AC1L1QBZ

1-Heptanal

7-oxoheptyl

Heptanal (natural)

heptan-1-al

Aldehyde C-7

Heptaldehyde, 95%

UN3056

SCHEMBL22542

7790AF

NSC2190

CHEMBL18104

n-C6H13CHO

CTK8A9248

WLN: VH6

ACMC-2099ah

LS-538

BIDD:ER0302

RP19154

HSDB 6026

92N104S3HF

LTBB001075

C14390

CCRIS 6041

OR010916

FEMA Number 2541

LP110380

LP067624

STL453624

Jsp000879

NSC 2190

NSC-2190

DTXSID0021597

DSSTox_CID_1597

CHEBI:34787

ZINC1577197

A802402

UNII-92N104S3HF

SC-79363

DSSTox_GSID_21597

ANW-16311

AN-43085

BDBM50028829

MFCD00007028

DSSTox_RID_76224

LMFA06000001

TR-002299

RTR-002299

AI3-02066

J-521429

S14-1468

J-002620

AKOS000121137

FEMA No. 2540

BRN 1560236

Tox21_202173

Tox21_302779

Heptaldehyde, technical, >=95% (GC)

111-71-7

F2190-0613

Heptanal, >=95%, FCC, FG

NCGC00259722-01

NCGC00256491-01

NCGC00091807-02

NCGC00091807-01

MCULE-5251820425

EINECS 203-898-4

CAS-111-71-7

n-Heptaldehyde [UN3056] [Flammable liquid]

MolPort-001-769-756

n-Heptaldehyde [UN3056] [Flammable liquid]

InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H

The Henry's Law constant for heptanal is 2.7X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that n-heptanal 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 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)(2) is estimated as 5 days(SRC). n-Heptanal's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Heptanal is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.52 mm Hg(3).
Literature: (1) Buttery RG et al; J Agric Food Chem 17: 385-9 (1969) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Data Compilation Tables of Properties of Pure Compounds NY, NY: Amer Inst for Phys Prop Data (1989)

The Koc of n-heptanal is estimated as 86(SRC), using a water solubility of 1250 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-heptanal is expected to have high mobility in soil.
Literature: (1) Suzuki T; J Computer-Aided Molecular Design 5:149-66 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)

Asymmetrical trimethylbenzene

Pseudocumene

Pseudocumol

as-Trimethylbenzene

Uns-trimethylbenzene

GWHJZXXIDMPWGX-UHFFFAOYSA-N

pseudo-cumene

pseudo cumene

XBZ

Psi-cumene

1,4-Trimethylbenzene

AC1L1OC7

Trimethyl benzene (Related)

X8415

CTK3J0662

S0662

.psi.-Cumene

AS00262

BIDD:ER0682

NSC65600

ACMC-20ap77

HSDB 5293

1,3,4-Trimethylbenzene

1,2,5-Trimethylbenzene

1,2,4-TRIMETHYLBENZENE

CCRIS 8146

1,2,4 trimethylbenzene

C14533

CHEMBL1797280

LS-7737

DTXSID6021402

OR000440

OR276801

OR276802

AK114007

SBB060396

STL268868

ZINC1692473

Benzene,2,4-trimethyl-

DSSTox_CID_1402

CHEBI:34039

TRA0086930

NSC 65600

NSC-65600

AN-24325

AJ-30145

34X0W8052F

SC-46730

LABOTEST-BB LTBB001896

KB-10020

1,2,4-Trimethylbenzene, analytical standard

CJ-28236

DSSTox_GSID_21402

1,2,4-Trimethyl benzene

UNII-A3F3279Q14 component GWHJZXXIDMPWGX-UHFFFAOYSA-N

1,2,4-trimethyl-benzene

ZINC01692473

DSSTox_RID_76140

MFCD00008527

ST51046585

ST24036666

TR-029817

KB-149700

UNII-34X0W8052F

AI3-03976

RTR-029817

AKOS000120059

FT-0606255

I14-20043

95-63-6

Tox21_200518

Tox21_300049

WLN: 1R B1 D1

Z1262252998

F0001-2275

CAS-95-63-6

1,2,4-Trimethylbenzene, 98%

NCGC00258072-01

MCULE-5935311187

METHYL, (2,5-DIMETHYLPHENYL)-

METHYL, (3,4-DIMETHYLPHENYL)-

Benzene, 1,2,4-trimethyl-

Benzene, 1,2,5-trimethyl-

NCGC00247891-01

NCGC00247891-02

NCGC00254118-01

EINECS 202-436-9

1,2,4-Trimethylbenzene, certified reference material, TraceCERT(R)

MolPort-019-361-390

213343-EP2380867A1

1,2,4-Trimethylbenzene, 98% 500g

InChI=1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H

The Henry's Law constant for 1,2,4-trimethylbenzene was measured as 6.16X10-3 atm-cu m/mol(1). This value indicates that 1,2,4-trimethylbenzene will volatilize from moist soil and water surfaces(2). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is approximately 3 hours(SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is approximately 4 days(SRC). Volatilization of 1,2,4-trimethylbenzene from dry soil surfaces is expected(SRC) based upon its vapor pressure of 2.1 mm Hg(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55: 1054-62 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Literature: #Complete removal of 1,2,4-trimethylbenzene (at 0.068 ug/mL soil extract) from sandy loam soil samples contaminated with jet fuel was reported within 5 days; sterile samples with 1,2,4-trimethylbenzene at 0.057 ug/mL soil extract also showed complete removal of this compound within 5 days, probably through evaporation(1). Jet fuel added to water (and then stirred) had an average volatilization ratio (volatilization rate constant of the compound/oxygen reaeration rate constant) of 0.59 for JP-4 fuel and a ratio of 0.45 for JP-8 fuel for the 1,2,4-trimethylbenzene component, indicating high volatility of this compound from water(2).
Literature: (1) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993) (2) Smith JH, Harper JC; pp. 336-53 in Proceed 12th Conf on Environ Toxicol 3, 4, and 5. Nov. 1981. Airforce Aerospace Medical Research Lab. Ohio (1982)

A Koc value of 537 was measured for 1,2,4-trimethylbenzene in a German soil (80.5% sand 12.3% silt, 7.2% clay, 2.48% organic carbon). According to a suggested classification scheme(2), this Koc value suggests that 1,2,4-trimethylbenzene will have low mobility in soil(SRC).
Literature: (1) Brusseau ML; Environ Toxicol Chem 12: 1835-46 (1993) (2) Swann RL et al; Res Rev 85: 23 (1983)

TVMXDCGIABBOFY-UHFFFAOYSA-N

octane

Oktanen

Ottani

Normal octane

octan

Oktan

octyl group

Octane, analytical standard

n-octane

n-Oktan

X1RV0B2FJV

AC1Q2VV5

Octane, all isomers

UNII-X1RV0B2FJV

Heptane, methyl-

KSC180A3D

Oktanen [Dutch]

Ottani [Italian]

n-OCTANE, REAG

NSC9822

octan-3-yl

Oktan [Polish]

c0044

CTK0I0031

HMDB01485

HSDB 108

O0022

O0118

O0151

S0280

WLN: 8H

AC1L1924

ACMC-2099aa

CHEMBL134886

n-C8H18

RP19167

bmse000480

C01387

LTBB002318

DTXSID0026882

LP019024

LP067606

LP068562

NSC 9822

NSC-9822

Octane, anhydrous, >=99%

CHEBI:17590

DSSTox_CID_6882

ZINC1529191

AN-43081

ANW-16304

DSSTox_GSID_26882

LS-97843

SC-78848

TRA0072181

DSSTox_RID_78237

LMFA11000002

MFCD00009556

AI3-28789

Octane, reagent grade, 98%

RTR-002289

TR-002289

AKOS015904009

J-002613

ZINC112927690

FT-0696530

I14-17863

I14-91421

Tox21_202452

111-65-9

F0001-0244

CH3-[CH2]6-CH3

MCULE-3248084959

NCGC00249228-01

NCGC00260001-01

CAS-111-65-9

EINECS 203-892-1

31372-91-5

50985-84-7

n-Octane, 98% 100ml

4067-EP1441224A2

4067-EP2269986A1

4067-EP2270113A1

4067-EP2272537A2

4067-EP2272935A1

4067-EP2274983A1

4067-EP2275398A1

4067-EP2277871A1

4067-EP2277878A1

4067-EP2280005A1

4067-EP2281821A1

4067-EP2284171A1

4067-EP2289509A2

4067-EP2289879A1

4067-EP2289884A1

4067-EP2289965A1

4067-EP2292576A2

4067-EP2292606A1

4067-EP2298775A1

4067-EP2298778A1

4067-EP2298828A1

4067-EP2301918A1

4067-EP2305642A2

4067-EP2305658A1

4067-EP2308873A1

4067-EP2311804A2

4067-EP2314558A1

4067-EP2371795A1

4067-EP2374780A1

4067-EP2374781A1

4067-EP2380568A1

4067-EP2380869A1

4067-EP2380870A1

MolPort-001-783-723

15416-EP2275407A1

15416-EP2275469A1

15416-EP2287940A1

15416-EP2289965A1

15416-EP2298828A1

15416-EP2301983A1

15416-EP2305683A1

15416-EP2305825A1

15416-EP2308926A1

15416-EP2309564A1

15416-EP2309584A1

15416-EP2311821A1

15416-EP2311839A1

15416-EP2314577A1

15416-EP2314589A1

15416-EP2316837A1

Octane, p.a., 99.0%

143914-EP2287165A2

143914-EP2287166A2

143914-EP2292592A1

143914-EP2292620A2

Octane, puriss. p.a., >=99.0% (GC)

Octane, electronic grade, >=99.999% metals basis, >=99% (CP)

EEE64B73-0375-4303-AFD5-0795361807FF

InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H

The Henry's Law constant for n-octane is estimated as 3.2 atm-cu m/mole(SRC) derived from its vapor pressure, 14.1 mm Hg(1), and water solubility, 0.66 mg/L(2). This Henry's Law constant indicates that n-octane 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 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 4.2 days(SRC). Volatilization from water surfaces may be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 11 months if adsorption is considered(4). However, in a study using a jet fuel mixture and sterile freshwater controls from the Escambia River (Florida), a 99% loss of n-octane was attributed to evaporation at 25 deg C(5). n-Octane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The disappearance of n-octane was rapid in soil/water mixture (concentration of soil, 25 g/150 mL)(6); an initial concentration of 0.177 ug/mL n-octane disappeared completely in 5 days using a sterile sandy loam soil with an organic matter content of 5.1%(6). The potential for volatilization of n-octane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Houston, TX: Gulf Pub Co. 3: 78 (1994) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press p. 536 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987) (5) Spain JC et al; Degrad of Jet Fuel Hydrocarbons by Aquatic Microbial Communities. Tyndall AFB, FL: Air Force Eng Serv Ctr. AFESC/ESL-TR-83-26 (NTIS AD-A139791/8) p 226 (1983) (6) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)

The Koc of n-octane is estimated as 3.1X10+4(SRC), using a log Kow of 5.18(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-octane is expected to be immobile in soil. Freundlich absorption coefficients of log 4.04 and log 3.49 were measured in Oberlausitz lignite (11.1% moisture content; 53.5 wt% carbon content; 0.6 wt % nitrogen content) and Pahokee peat soil (10.2% moisture content; 46.1 wt% carbon content; 3.3 wt % nitrogen content), respectively(4). Gaseous transport of volatile n-octane in unsaturated porous media was shown to be influenced by air-water interfacial adsorption and water-partitioning(5). Sorption of n-octane from air to snow was measured, resulting in a sorption coefficient of log -4.41 cu m/sq m at -6.8 deg C(6).
Literature: (1) Miller MM et al; Environ Sci Technol 19:522-9 (1985) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Oct 30, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Endo S et al; Environ Sci Technol 42): 5897-5903 (2008) (5) Kim H et al; Environ Sci Technol 35: 4457-62 (2001) (6) Roth CM et al; Environ Sci Technol 38: 4078-84 (2004)

m-Methylethylbenzene

m-Ethylmethylbenzene

ZLCSFXXPPANWQY-UHFFFAOYSA-N

meta-Ethyltoluene

3-ethylmethylbenzene

3-Methylethylbenzene

M-ETHYLTOLUENE

3-Ethyltoluene

AC1L1YUI

1,3-methylethylbenzene

3-ethyl toluene

KSC489I0L

1-Ethyl-3-methylbenzene

CHEMBL31274

ACMC-209myv

1-Methyl-3-ethylbenzene

3-ethyl-1-methylbenzene

737PTD7O7E

CTK3I9405

E0185

Z1676

ACT07964

NSC74176

NE30723

BIDD:ER0585

Toluene, m-ethyl-

UNII-737PTD7O7E

C14522

SBB061444

OR132612

OR012324

DTXSID6050386

1-Ethyl-3-methyl-benzene

AK135890

CHEBI:77512

DSSTox_CID_7876

ZINC1699560

3-Ethyltoluene, 99%

QC-10764

NSC 74176

TL8004014

NSC-74176

AJ-30402

ANW-34037

TRA0051426

LS-30343

KB-31629

AB0043746

DSSTox_GSID_50386

SC-90803

CJ-28618

CJ-06643

ZINC01699560

DSSTox_RID_83511

BDBM50167946

MFCD00009259

ST24037993

RTR-021327

ST51047457

1-Ethyl-3-methylbenzene(3-ethyltoluene)

TR-021327

DB-054039

AKOS009158576

FT-0615669

I01-10410

Benzene, 1-ethyl-3-methyl-

Tox21_202857

Benzene, 3-ethyl-1-methyl-

620-14-4

NCGC00260403-01

MCULE-5855615432

Toluene, m-ethyl- (8CI)

EINECS 210-626-8

CAS-620-14-4

MolPort-003-925-442

15403-EP2305683A1

15403-EP2311839A1

15403-EP2314589A1

15403-EP2316837A1

Benzene, 1-ethyl-3-methyl- (9CI)

InChI=1/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H

Polymethylnaphthalene

METHYLNAPHTHALENE

alpha-Methylnaphthalene

QPUYECUOLPXSFR-UHFFFAOYSA-N

alpha-methyl naphthalenes

1-methylnaphtalene

1-methylnaphthalen

1-METHYLNAPHTHALENE

.alpha.-Methylnaphthalene

1-Methylnaphthalene, analytical standard

AC1Q1HTF

AC1Q2NWB

1-Methyl naphthalene

1-methyl-naphthalene

Methyl-1-naphthalene

AC1L1NS7

Naphthalene, methyl-

Naphthalene, alpha-methyl-

KSC177K9L

naphthalene, 1-methyl

Naphthalene, methyl-, homopolymer

1(or2)-Methylnaphthalene

NSC3574

1-Methylnaphthalene, >=95%

CTK0H7595

M0371

1-Methylnaphthalene, 95%

ACMC-209r4x

BIDD:ER0662

CHEMBL383808

RP18146

bmse000531

C14082

CCRIS 6151

DSSTox_CID_877

E7SK1Y1311

HSDB 5268

Naphthalene, 1-methyl-

AK161863

DTXSID9020877

FEMA Number 3193

LS-1907

NSC 3574

NSC-3574

OR000949

OR126161

OR126162

OR341646

SBB060401

STL283953

UNII-E987XQ801Y component QPUYECUOLPXSFR-UHFFFAOYSA-N

1-Methylnaphthalene, TraceCERT(R), certified reference material

A806392

A843450

CHEBI:50717

S-7900

UNII-E7SK1Y1311

ZINC1666852

AJ-29050

AN-19602

AN-24186

ANW-39439

CJ-06067

CJ-27000

DSSTox_GSID_20877

KB-12731

SC-18103

TRA0054431

BDBM50159279

DSSTox_RID_75841

MFCD00004034

ZINC01666852

AI3-15378

DB-078596

RTR-038311

ST24038134

ST51046588

TR-038311

WLN: L66J B1

AKOS000120012

I14-6941

I14-6943

J-505002

ZINC111457659

FEMA No. 3193

FT-0608090

FT-0658103

MLS001050152

SMR001216533

90-12-0

Tox21_201768

Tox21_300339

1-Methylnaphthalene, 96% 25g

CAS-90-12-0

1321-94-4

MCULE-4027275839

NCGC00091700-01

NCGC00091700-02

NCGC00091700-03

NCGC00254488-01

NCGC00259317-01

EINECS 201-966-8

78900-94-4

MolPort-003-932-994

InChI=1/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H

The Henry's Law constants for 1- and 2-methylnaphthalene are 5.14X10-4 and 5.18X10-4 atm-cu m/mole, respectively(1). These Henry's Law constants indicate that methylnaphthalenes are expected to volatilize from water surfaces(2). Based on these Henry's Law constants, 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 5.5 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 5.3 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 23 to 78 days if adsorption is considered(4). The Henry's Law constants for 1- and 2-methylnaphthalene indicate that volatilization from moist soil surfaces may occur(SRC). Methylnaphthalenes are not expected to volatilize from dry soil surfaces(SRC) based upon vapor pressures of 0.067 mm Hg(5) and 0.055 mm Hg(6) for 1- and 2-methylnaphthalene, respectively.
Literature: (1) Altschuh J et al; Chemosphere 39: 1871-87 (1999) (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 Jan 5, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (4) US EPA; EXAMS II Computer Simulation (1987) (5) Macknick AB, Prausnitz JM; J Chem Eng Data 24: 175-8 (1979) (6) Karyakin NV et al; Zh Fiz Khim 42: 1814-16 (1968)
Literature: #The Henry's Law constant for 1-methylnaphthalene is reported as 5.14X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that 1-methylnaphthalene 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 5.5 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)(2) is estimated as 5.3 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 23-41 days if adsorption is considered(3). 1-Methylnaphthalene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Methylnaphthalene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.067 mm Hg(4).
Literature: (1) Altschuh J et al; Chemosphere 39: 1871-87 (1999) (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; EXAMS II Computer Simulation (1987) (4) Macknick AB, Prausnitz JM; J Chem Eng Data 24: 175-8 (1979)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of methylnaphthalenes can be estimated to be 2530(SRC). However, 1-methylnaphthalene has reported Koc values of 2290(2) and 4400(3) and 2-methylnaphthalene has a reported Koc value of 4350(2) and measured Koc value of 8500(3). According to a classification scheme(4), these Koc values suggest that methylnaphthalenes are expected to have slight to no mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Jan 5, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Sabljic A et al; Chemosphere 31: 4489-514 (1995) (3) Sabljic A, Protic M; Bull Environ Contam Toxicol 28: 162-5 (1982) (4) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #A log Koc value of 3.36 was reported in soil(1). An average log Kp for 1-methylnaphthalene of 1.96 was determined from 17 measurements(2). The log Koc values for 1-methylnaphthalene in 88 sediment samples were 2.76-5.78(3). According to a classification scheme(4), these Koc values suggest that 1-methylnaphthalene is expected to have slight to no mobility in soil. The logarithmic sorption coefficient of 1-methylnaphthalene to snow was 5.79(5).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Vowles PD, Mantoura RFC; Chemosphere 16: 109-16 (1987) (3) Hawthorne SB et al; Environ Toxicol Chem 25: 2901-11 (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Roth CM et al; Environ Sci Technol 38: 4078-84 (2004)

Tetrahydronaphthalene

Benzocyclohexane

tetrahydro-naphthalene

Bacticin

CXWXQJXEFPUFDZ-UHFFFAOYSA-N

tetralene

TETRALIN

Tetralina

Tetraline

Tetranap

Tetralin solvent

Tetralin® solvent

AC1L1QXB

Naphthalene, tetrahydro-

FT6XMI58YQ

ACMC-1C8AU

Tetralina [Polish]

UNII-FT6XMI58YQ

(C4-C5) Alkyltetrahydronaphthalenes

I899

KSC192O5P

C10H12

1,3,4-Tetrahydronaphthalene

CTK0J2757

HSDB 127

T0713

delta5,7,9-naphthantriene

LS-620

LS40429

NSC77451

bmse000530

C14114

CCRIS 3564

AK112767

CHEMBL1575635

DTXSID1026118

Naphthalene 1,3,4-tetrahydride

OR034155

OR251280

SBB060619

STL264224

CHEBI:35008

DSSTox_CID_6118

Y-9119

ZINC8437660

1,2,3,4-tetrahydronaphythalene

AJ-57566

AN-22806

Caswell No. 842A

DSSTox_GSID_26118

NSC 77451

NSC-77451

SC-79751

TRA0036329

TRA0039558

TRA0087429

1,2,3,4-Tetrahydronaphthalene

1,2,3,4-tetrahydronaphthalin

1,2,3,4-tetrahydronapthalene

5,6,7,8-tetrahydronaphthalene

DSSTox_RID_78023

MFCD00001733

ZINC08437660

AI3-01257

delta(sup5,7,9)-naphthantriene

KB-147836

NCIOpen2_000650

ST24026724

ST51046766

TC-172337

TR-003288

AKOS000121383

EPA Pesticide Chemical Code 055901

I14-6247

W-108503

1,2,3,4-Tetrahydronaphthalene, analytical standard

FT-0654145

Naphthalene 1,2,3,4-tetrahydride

Naphthalene-1,2,3,4-tetrahydride

WLN: L66 & TJ

1,2,3,4-tetrahydro-naphthalen

1,2,3,4-tetrahydro-naphthalene

I14-14246

delta(sup 5,7,9)-naphthantriene

Tox21_201793

Tox21_303325

119-64-2

F1908-0164

.delta.(sup 5,9)-Naphthantriene

MCULE-8327072794

naphthalene,1,2,3,4-tetrahydro-

NCGC00091744-01

NCGC00091744-02

NCGC00256948-01

NCGC00259342-01

CAS-119-64-2

EINECS 204-340-2

EINECS 270-178-4

1,2,3,4-tetrahydronaphthalene, Tetralin, THN

27216-28-0

68412-24-8

.delta.(5,7,9)-Naphthantriene

Naphthalene, 1,2,3,4-tetrahydro-

.delta.(sup 5,7,9)-Naphthantriene

MolPort-003-925-014

1,2,3,4-Tetrahydronaphthalene, anhydrous, 99%

1,2,3,4-Tetrahydronaphthalene, reagent grade, >=97%

1,2,3,4-Tetrahydronaphthalene, ReagentPlus(R), 99%

1,2,3,4-Tetrahydronaphthalene, 97% 250g

TETRALIN (SEE ALSO DECALIN (91-17-8))

1,2,3,4-Tetrahydronaphthalene, Vetec(TM) reagent grade, 98%

Naphthalene, 1,2,3,4-tetrahydro-, C1-4-alkyl derivs.

InChI=1/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H

The Henry's Law constant for tetralin can be estimated to be approximately 1.7X10-3 atm-cu m/mole at 25 deg C using a chemical structure estimation method(2). According to a suggested classification scheme(1), volatilization from water will be significant. 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 4 hours(1,SRC). The volatilization half-life from a model lake (1 meter deep) can be estimated to be about 5 days(1,SRC). Tetralin exhibited a half-life attributed to volatilization of 8.5 days in a mesocosm containing 13 cu-m Narragansett seawater poisoned with HgCl2 to retard biological activity(3).
Literature: (1) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 4-9, 5-4, 5-10, 7-4, 7-5, 15-15 to 15-32 (1990) (2) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (3) Wakeham SG et al; Environ Sci Technol 17: 611-7 (1983)

A Koc for tetralin of about 1,800 can be estimated using a structure activity relationship(1). Based on a suggested classification scheme(2), this Koc value suggests that tetralin has low mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Symmetrical trimethylbenzene

Trimethylbenzol

MESITYLENE

sym-Trimethylbenzene

AUHZEENZYGFFBQ-UHFFFAOYSA-N

s-Trimethylbenzene

Mesitylene, analytical standard

Fleet-X

Trimethylbenzene (Related)

Trimethylbenzol (Related)

ACMC-1BSDX

AC1L1PX3

3,5-Dimethyltoluene

1,3,5??RIMETHYLBENZENE

HSDB 92

KSC177Q3P

Mesitylene, 98%

NSC9273

UN2325

CTK0H7837

S0658

X8424

BIDD:ER0286

Mesitylene, certified reference material, TraceCERT(R)

RL00374

RP19384

STR03436

1,3,5-Trimethylbenezene

1,3,5-Trimethylbenzene

2,4,6-trimethylbenzene

887L18KQ6X

C14508

CCRIS 8147

CHEMBL1797281

DTXSID6026797

Jsp000729

MP-2176

NSC 9273

NSC-9273

OR000442

OR199874

OR199875

OR236933

OR240708

SBB060395

STL268905

UN 2325

A801911

CHEBI:34833

DSSTox_CID_6797

UNII-887L18KQ6X

ZINC1699890

AJ-30418

AK-98163

AN-22521

ANW-15967

CJ-06654

DSSTox_GSID_26797

KB-53516

LS-89876

Mesitylene, reagent grade, 97%

SC-76695

ST2413206

TRA0097417

1,3,5-trimethyl-benzene

BENZENE,1,3,5-TRIMETHYL

DSSTox_RID_78217

MFCD00008538

UNII-A3F3279Q14 component AUHZEENZYGFFBQ-UHFFFAOYSA-N

ZINC01699890

AI3-23973

RTR-001982

ST51046584

TR-001982

AKOS000120144

J-002179

J-521685

S01-0587

FT-0606520

benzene, 1,3,5-trimethyl

Trimethylbenzene, 1,3,5-

AZ0001-0009

Tox21_201452

Tox21_300341

WLN: 1R C1 E1

108-67-8

F0001-0175

Mesitylene, 98% 100ml

Z1262253023

Benzene, 1,3,5-trimethyl-

MCULE-4050779572

METHYL, (3,5-DIMETHYLPHENYL)-

NCGC00247999-01

NCGC00247999-02

NCGC00254430-01

NCGC00259003-01

CAS-108-67-8

EINECS 203-604-4

PHENYL, 2,4,6-TRIMETHYL-

7720-EP2269986A1

7720-EP2269995A1

7720-EP2275469A1

7720-EP2277878A1

7720-EP2280005A1

7720-EP2284165A1

7720-EP2287940A1

7720-EP2289868A1

7720-EP2289884A1

7720-EP2289965A1

7720-EP2292593A2

7720-EP2292597A1

7720-EP2295406A1

7720-EP2298767A1

7720-EP2301918A1

7720-EP2305649A1

7720-EP2305668A1

7720-EP2305676A1

7720-EP2311804A2

7720-EP2314587A1

7720-EP2371831A1

7720-EP2380568A1

MolPort-001-757-274

Mesitylene, purum, >=98.0% (GC)

1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]

1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]

InChI=1/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H

The Henry's Law constant for 1,3,5-trimethylbenzene was measured as 8.77X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 1,3,5-trimethylbenzene is expected to volatilize rapidly 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 1.2 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 4.4 days(SRC). 1,3,5-Trimethylbenzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1,3,5-Trimethylbenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.48 mm Hg(3). Residence times (with respect to volatilization) for 1,3,5-trimethylbenzene were calculated as 220 hours for both winter and summer conditions in Narragansett Bay(4). Complete removal of 1,3,5-trimethylbenzene (at 0.035 ug/ml soil extract) from sandy loam soil samples contaminated with jet fuel was reported within 5 days; sterile samples with 1,3,5-trimethylbenzene at 0.035 ug/ml soil extract also showed complete removal of this compound within 5 days, probably by evaporation(5).
Literature: (1) Sanemasa,I et al; Bull Chem Soc Jpn 55: 1054-62 (1982) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (4) Wakeham SG et al; Canad J Fish Aquat Sci 40: 304-21 (1983) (5) Dean-Ross D; Bull Environ Contam Toxicol 51: 596-99 (1993)

The Koc of 1,3,5-trimethylbenzene has been measured at a range of 501-1,445(1-4). According to a classification scheme(5), this Koc range suggests that 1,3,5-trimethylbenzene is expected to have low mobility in soil. 1,3,5-Trimethylbenzene was detected in soil leachate samples following the addition of crude oil to the surface of a soil trough filled with sand(6).
Literature: (1) Schwarzenbach RP, Westall J; Environ Sci Technol 15: 1360-67 (1981) (2) Borisover MD et al; Chemosphere 34: 1761-1776 (1997) (3) Wiedemeier TH et al; Ground Water Monit Remed 16: 186-194 (1996) (4) XU F et al; J Environ Qual 30: 1618-1623 (2001) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Duffy JJ et al; Environ Internat 3: 107-120 (1980)

beta-Methylnaphthalene

QIMMUPPBPVKWKM-UHFFFAOYSA-N

beta-methyl naphthalenes

2-methyInaphthalene

2-methylnaphthalen

2-METHYLNAPHTHALENE

2-Naphthylmethyl radical

2-Methylnaphthalene, analytical standard

AC1L1NWJ

AC1Q1GKJ

2-methyl naphthalene

2-methyl-naphthalene

.beta.-Methylnaphthalene

Methyl-2-naphthalene

S8MCX3C16H

KSC486M7D

naphthalene, 2-methyl

Naphthalene, beta-methyl-

ACMC-209rcf

NSC3575

UNII-S8MCX3C16H

M0372

CTK3I6671

NE10298

AC-615

RP20766

CHEMBL195895

Naphthalene, 2-methyl-

HSDB 5274

DSSTox_CID_878

C14098

bmse000537

SBB060085

BC208431

LS-1922

NSC 3575

NSC-3575

OR000948

OR126305

DTXSID4020878

STL283950

UNII-E987XQ801Y component QIMMUPPBPVKWKM-UHFFFAOYSA-N

ZINC1666853

CHEBI:50720

AN-15677

AJ-29051

AK-94178

CJ-06068

AB1003413

ST2417100

TRA0099646

CJ-27001

ANW-39709

DSSTox_GSID_20878

KB-25125

MFCD00004118

ZINC01666853

BDBM50159241

DSSTox_RID_75842

RTR-030801

WLN: L66J C1

DB-002463

TR-030801

ST51046326

AI3-17554

ZINC112980287

AKOS000120035

W-100305

I14-6945

FT-0613065

91-57-6

Tox21_200839

2-Methylnaphthalene (beta), 97%

NAPHTALENE,2-METHYL MFC11 H10

CAS-91-57-6

MCULE-4388510802

NCGC00258393-01

NCGC00091415-02

NCGC00091415-01

7419-61-6

EINECS 202-078-3

MolPort-001-785-980

InChI=1/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H

The Henry's Law constant for 2-methylnaphthalene is reported as 5.18X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that 2-methylnaphthalene 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 5.5 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)(2) is estimated as 5.3 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 41-78 days when adsorption is considered(3). 2-Methylnaphthalene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2-Methylnaphthalene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.055 mm Hg(4).
Literature: (1) Altschuh J et al; Chemosphere 39: 1871-87 (1999) (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; EXAMS II Computer Simulation (1987) (4) Karyakin NV et al; Zh Fiz Khim 42: 1814-16 (1968)

A log Koc value of 3.67 was reported in soil(1). An average sediment- or soil-water partition coefficient (log Kp) for 2-methylnaphthalene of 2.00 was determined from 17 measurements(2). The log Koc values for 2-methylnaphthalene in 75 sediment samples was 3.00-5.96(3). Measured Koc values have been reported as 4,400(4) and 8,500(5) for 2-methylnaphthalene. According to a classification scheme(6), these Koc values suggest that 2-methylnaphthalene is expected to have slight to no mobility in soil.
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Vowles PD, Mantoura RFC; Chemosphere 16: 109-16 (1987) (3) Hawthorne SB et al; Environ Toxicol Chem 25: 2901-11 (2006) (4) Sabljic A et al; Chemosphere 31: 4489-4514 (1995) (5) Sabljic A, Protic M; Bull Environ Contam Toxicol 28: 162-5 (1982) (6) Swann RL et al; Res Rev 85: 17-28 (1983)

Monoterpenes

BQOFWKZOCNGFEC-UHFFFAOYSA-N

Carene

alpha-Carene

AC1L1AAR

d3-carene

3-Carene

Delta-3-Carene

ACMC-1ADO8

3-Carene, analytical standard

AC1Q29W8

S-3-Carene

CTK3J2995

NE10089

Delta(3)-Carene

CHEMBL506854

Delta-car-3-ene

OR126426

OR038357

DTXSID4047462

OR126427

delta(sup 3)-Carene

SBB060476

CHEBI:35661

3-Karen [Czech]

AN-18424

ANW-19700

.delta. 3-carene

FCH1117427

LS-43716

LS-52533

DSSTox_GSID_47462

3-.delta.-Carene

DSSTox_RID_82362

DSSTox_CID_27462

3-Carene, >=90%

3-Carene, 90%

ST51046655

TR-004700

DB-063033

RTR-004700

AKOS015840953

Delta 3 Carene 90 PF

W-110341

FT-0624500

.DELTA.-caR-3-ene

BRN 1902766

I14-52597

Tox21_302632

(+)Car-3-ene

4,7,7-Trimethyl-3-norcarene

(+-)-delta3-Carene

EN300-173315

NCGC00256842-01

MCULE-2811504753

(+-)-3-Carene

EINECS 236-719-3

13466-78-9

74806-04-5

CAS-13466-78-9

MolPort-006-120-436

3-Norcarene, 3,7,7-trimethyl-

3,7,7-Trimethylbicyclo[4.1.0]-3-heptene

3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene

3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene

4,7,7-trimethylbicyclo[4.1.0]hept-3-ene

3,7,7-trimethyl-bicyclo[4.1.0]hept-3-ene

Bicyclo(4.1.0)hept-3-ene, 3,7,7-trimethyl-

Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-

3,7,7(or 4,7,7)-Trimethylbicyclo(4.1.0)hept-3-ene

Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S)-

Bicyclo(4.1.0)hept-3-ene, 3,7,7(or 4,7,7)-trimethyl-

Bicyclo[4.1.0]hept-3-ene, 3,7,7(or 4,7,7)-trimethyl-