2-Phenyl-2-propanol

2-Phenylpropan-2-ol

617-94-7

Dimethylphenylcarbinol

1-Hydroxycumene

Dimethylphenylmethanol

2-PHENYLISOPROPANOL

alpha-Cumyl alcohol

alpha,alpha-Dimethylbenzyl alcohol

Phenyldimethylcarbinol

2-Propanol, 2-phenyl-

2-phenyl-propan-2-ol

Dimethyl phenyl carbinol

alpha,alpha-Dimethylbenzenemethanol

a,a-dimethylbenzyl alcohol

NSC 1261

Benzyl alcohol, alpha,alpha-dimethyl-

Benzenemethanol, alpha,alpha-dimethyl-

NSC 212537

.alpha.-Cumyl alcohol

Benzenemethanol, .alpha.,.alpha.-dimethyl-

MFCD00004456

.alpha.,.alpha.-Dimethylbenzyl alcohol

Benzyl alcohol, .alpha.,.alpha.-dimethyl-

JE030BGE05

DTXSID3027247

NSC-1261

NSC-212537

Benzyl alcohol,.alpha.-dimethyl-

Benzenemethanol,.alpha.-dimethyl-

2-phenylpropanol-2

HSDB 5718

EINECS 210-539-5

BRN 1905012

UNII-JE030BGE05

AI3-05532

dimethylphenyl carbinol

2-Phenylisopropyl alcohol

1-Methyl-1-phenylethanol

2-Hydroxy-2-phenylpropane

EC 210-539-5

4-06-00-03219 (Beilstein Handbook Reference)

SCHEMBL164244

2-Phenyl-2-propanol, 97%

DTXCID107247

CHEMBL3185495

alpha,alpha-dimethylbenzyl aldohol

NSC1261

(1-hydroxy-1-methylethyl)benzene

CHEBI:131607

2-PHENYLISOPROPANOL [HSDB]

AMY25731

STR08958

Tox21_200449

NSC212537

AKOS009158102

CS-W016526

HY-W015810

MCULE-1685813708

PB47644

PS-4036

.alpha.,.alpha.-Dimethylbenzenemethanol

NCGC00248623-01

NCGC00258003-01

CAS-617-94-7

SY021550

NS00010783

P0213

BENZENEMETHANOL, ALPHA, ALPHA, DIMETHYL

EN300-120905

P15346

A868634

W-105093

Q15726116

InChI=1/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H

The Henry's Law constant for 2-phenylisopropanol is estimated as 3.8X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 2-phenylisopropanol will be essentially nonvolatile from water surfaces(2,SRC). 2-Phenylisopropanol's vapor pressure, 0.047 mm Hg(3,SRC) indicates that volatilization from dry soil surfaces may occur. However, 2-phenylisopropanol's Henry's Law constant(1,SRC) indicates that volatilization from moist soil may not occur(SRC).
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) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985)

INSOL IN WATER; SOL IN ETHANOL, ETHER, BENZENE
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 75th ed. Boca Raton, Fl: CRC Press Inc., 1994-1995., p. 3-52

Using a structure estimation method based on molecular connectivity indexes(1), the Koc for 2-phenylisopropanol can be estimated to be about 36(SRC). The Koc of 2-phenylisopropanol can also be estimated to be approximately 274(SRC), using an estimated log Kow of 1.95(2,SRC) and a regression-derived equation(3,SRC). According to a recommended classification scheme(4), these estimated Koc values suggest that 2-phenylisopropanol has very high to medium mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 28: 459-65 (1992) (2) Meylan WM, Howard PH; J Pharm Sci 84: 83-92 (1995) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (4) Swann RL et al; Res Rev 85: 23 (1983)

MESITYL OXIDE

141-79-7

4-Methylpent-3-en-2-one

4-Methyl-3-penten-2-one

3-Penten-2-one, 4-methyl-

Methyl isobutenyl ketone

Isopropylideneacetone

Isobutenyl methyl ketone

Mesityloxid

Mesityloxyde

Ossido di mesitile

3-Isohexen-2-one

Isopropylidene acetone

Oxyde de mesityle

Acetone, isopropylidene-

Methyl 2-methyl-1-propenyl ketone

Methyl 2,2-dimethylvinyl ketone

2-Methyl-4-oxo-2-pentene

2-Methyl-2-pentenone-4

2,2-Dimethylvinyl methyl ketone

4-Metil-3-penten-2-one

4-Methyl-3-pentene-2-one

4-Methyl-3-penten-2-on

2-Methyl-2-penten-4-one

FEMA No. 3368

NSC 38717

4-Methyl-3-penten-2-one, 9CI

4-methyl-pent-3-en-2-one

DTXSID1029170

CHEBI:89993

(CH3)2C=CHC(=O)CH3

NSC-38717

77LAC84669

DTXCID209170

Mesityloxid [German]

Mesityloxyde [Dutch]

Caswell No. 547

FEMA Number 3368

Oxyde de mesityle [French]

CAS-141-79-7

Ossido di mesitile [Italian]

HSDB 1195

EINECS 205-502-5

4-Metil-3-penten-2-one [Italian]

UN1229

EPA Pesticide Chemical Code 052401

BRN 1361550

4-Methyl-3-penten-2-on [Dutch, German]

AI3-07702

UNII-77LAC84669

Mesityloxid(german)

MFCD00008900

Isopropylidene-Acetone

Mesityl oxide [UN1229] [Flammable liquid]

EC 205-502-5

2-methylpent-2-en-4-one

MESITYL OXIDE [MI]

1-Methylpent-2-en-4-one

MESITYL OXIDE [HSDB]

CHEMBL3185916

FEMA 3368

WLN: 1Y1 & U1V1

4-Methyl-3-penten-2-one, 90%

AMY23356

NSC38717

Tox21_202080

Tox21_303606

LMFA12000030

STL146350

Mesityl oxide, technical grade, 90%

AKOS000118892

MCULE-4922478422

UN 1229

NCGC00249161-01

NCGC00257514-01

NCGC00259629-01

4-Methyl-3-penten-2-one (mesityl oxide)

4-Methyl-3-penten-2-on(DUTCH, GERMAN)

4-METHYL-3-PENTENE-2-ONE [FHFI]

M0069

M1340

NS00006985

TEICOPLANIN IMPURITY A [EP IMPURITY]

3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE

EN300-21333

Mesityl oxide [UN1229] [Flammable liquid]

3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE

A807813

CILASTATIN SODIUM IMPURITY D [EP IMPURITY]

Q425668

Q-201356

4-Methyl-3-penten-2-one, analytical reference material

Mesityl oxide, 90%, remainder 4-methyl-4-penten-2-one

InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H

Mesityl oxide, European Pharmacopoeia (EP) Reference Standard

4-Methylpent-3-en-2-one; Mesityl oxide; Cilastatin Sodium Imp. D (EP)

Mesityl Oxide, Pharmaceutical Secondary Standard; Certified Reference Material

Mesityl oxide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~98%

The Henry's Law constant for mesityl oxide is estimated as 3.67X10-5 atm-cu m/mole(SRC) derived from its vapor pressure, 8.21 mm Hg(1), and water solubility, 28,900 mg/L(2). This Henry's Law constant indicates that mesityl oxide 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 17 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 11 days(SRC). Mesityl oxide's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of mesityl oxide from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner DP; Physical & Thermodynamic Properties of Pure Chemicals Vol. 3 NY: Hemisphere Pub Corp (1989) (2) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 285 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of mesityl oxide is estimated as 15(SRC), using a water solubility of 28,900 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that mesityl oxide is expected to have very high mobility in soil.
Literature: (1) Yalkowsky SH, He Y; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL. p. 285 (2003) (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)

cis-6-Tridecene

6-Tridecene

6-Tridecene, (Z)-

(Z)-tridec-6-ene

6508-77-6

6-Tridecene, (6Z)-

(6Z)-6-Tridecene

6-Tridecene, (Z)

548QB57U6U

(Z)-6-Tridecene

UNII-548QB57U6U

Z-6-Tridecene

NSC68824

.ZETA.-CIS-TRIDECENE

CHEBI:88594

DTXSID10880931

QHOMPCGOCNNMFK-QBFSEMIESA-N

24949-38-0

NSC-68824

NS00096273

Q27160483

octane

n-octane

111-65-9

Oktan

Oktanen

Ottani

n-Oktan

Oktanen [Dutch]

Oktan [Polish]

Ottani [Italian]

HSDB 108

UNII-X1RV0B2FJV

X1RV0B2FJV

NSC 9822

EINECS 203-892-1

DTXSID0026882

CHEBI:17590

AI3-28789

NSC-9822

MFCD00009556

DTXCID406882

CH3-[CH2]6-CH3

EC 203-892-1

Heptane, methyl-

Octane, all isomers

CH3-(CH2)6-CH3

octano

Normal octane

normal-Octane

octan

Octanes

Octil

MG8

OTTANE

OCTANE [INCI]

N-OCTANE [HSDB]

OCTANE [MI]

bmse000480

Octane, analytical standard

WLN: 8H

Octane, anhydrous, >=99%

Octane, reagent grade, 98%

n-C8H18

Octane, p.a., 99.0%

CHEMBL134886

NSC9822

Octane; NSC 9822; n-Octane

Tox21_202452

c0044

LMFA11000002

AKOS015904009

MCULE-3248084959

NCGC00249228-01

NCGC00260001-01

CAS-111-65-9

LS-13532

NS00006444

O0022

O0118

O0151

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

C01387

Q150681

J-002613

F0001-0244

EEE64B73-0375-4303-AFD5-0795361807FF

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

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

31372-91-5

9065-92-3

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)

1-UNDECENE

821-95-4

Undec-1-ene

n-1-Undecene

1-Hendecene

Undecene

alpha-Undecene

alpha-Undecylene

alpha-Nonylethylene

Undecene-1

CCRIS 5720

HSDB 1090

.alpha.-Undecene

EINECS 212-483-7

NSC 73983

UNII-1446756A8F

NSC-73983

1446756A8F

DTXSID5061168

CHEBI:77444

MFCD00008956

Hendecene

68526-57-8

1-Undecene, 97%

N-NONYLETHYLENE

?1-UNDECENE

.ALPHA.-UNDECYLENE

1-UNDECENE [HSDB]

3,4-dichlorophenethylalcohol

.ALPHA.-NONYLETHYLENE

DTXCID0048268

NSC73983

EINECS 271-214-1

LMFA11000332

STL453737

AKOS009156849

MCULE-8437878932

LS-14020

DB-056580

NS00038169

U0025

U0052

D92764

EC 271-214-1

Q14745306

The Henry's Law constant for 1-undecene is estimated as 1.48 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-undecene 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 hr(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). However, the volatilization half-life does not take into account the effects of adsorption. This is apparent from the results of two EXAMS model runs, one in which the effect of adsorption was considered, yielding an estimated half-life of 21 days in a model pond 2 m deep, and one in which the effect of adsorption was ignored, yielding an estimated half-life of 42 hrs in a model pond 2 m deep(3). 1-Undecene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). 1-Undecene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.493 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) USEPA; EXAMS II Computer Simulation (1987) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY, NY: Hemisphere Pub Corp 5 Vol (1989)

Sol in ether, chloroform, ligroin; insol in water
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-327

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-undecene can be estimated to be about 3180(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-undecene is expected to have slight mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

1-TRIDECANOL

Tridecanol

112-70-9

Tridecan-1-ol

Tridecyl alcohol

26248-42-0

n-Tridecan-1-ol

n-Tridecanol

n-Tridecyl alcohol

80206-82-2

1-Hydroxytridecane

MFCD00004756

DTXSID2021947

CHEBI:34123

NSC-5252

8I9428H868

DTXCID901947

N-TRIDECYL-D27 ALCOHOL

CAS-112-70-9

CCRIS 8591

HSDB 5574

NSC 5252

EINECS 203-998-8

BRN 1739991

AI3-35264

UNII-8I9428H868

EINECS 279-420-3

1-Tridecanol, 97%

Maybridge1_004320

SCHEMBL20879

1-TRIDECANOL [HSDB]

BIDD:ER0306

CHEMBL24832

WLN: Q13

TRIDECYL ALCOHOL [INCI]

HMS553M10

AMY5938

NSC5252

BBA24842

Tox21_202208

Tox21_300138

LMFA05000171

STL287936

AKOS005267216

CS-W004293

HY-W004293

MCULE-4385103550

NCGC00164019-01

NCGC00164019-02

NCGC00164019-03

NCGC00254162-01

NCGC00259757-01

1-Tridecanol, purum, >=98.0% (GC)

BP-28084

BS-14333

SY049489

NS00007712

T0803

H10847

EN300-1841776

A894533

Q161684

J-002821

J-016351

85AD1334-FDF8-446D-BF63-A7EE6B26FE07

F0001-0261

The Henry's Law constant for 1-tridecanol is estimated as 1.3X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-tridecanol 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 14 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 8.5 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 16 years when adsorption is considered(3). 1-Tridecanol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Tridecanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.36X10-4 mm Hg(4).

The Koc of 1-tridecanol is estimated as 35,000(SRC), using a log Kow of 5.82(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-tridecanol is expected to be immobile in soil.

TETRADECANAL

124-25-4

Myristaldehyde

Myristic aldehyde

n-Tetradecanal

Tetradecyl aldehyde

1-Tetradecanal

Tetradecylaldehyde

Myristylaldehyde

Aldehyde C-14

Myristyl Aldehyde

C-14 aldehyde, myristic

Aldehyde C-14, myristic

n-Tetradecyl aldehyde

1-Tetradecyl aldehyde

FEMA No. 2763

NSC 66435

FEMA 2763

44AJ2LT15N

DTXSID1021665

CHEBI:84067

NSC66435

MFCD00007019

NSC-66435

EINECS 204-692-7

BRN 1765987

UNII-44AJ2LT15N

AI3-36199

Tetradecanaldehyde

tetradecane aldehyde

1la3

MYRISTALDEHYDE [FCC]

n-C13H27CHO

SCHEMBL18604

MYRISTALDEHYDE [FHFI]

4-01-00-03389 (Beilstein Handbook Reference)

WLN: VH13

CH3(CH2)12CHO

PEACH ALDEHYDE (C14)

DTXCID101665

CHEMBL2228569

AMY6110

Tox21_202794

BBL102211

LMFA06000078

STL556010

AKOS009158344

CS-W004303

GS-5775

NCGC00260340-01

511542-15-7

CAS-124-25-4

NS00013016

T2696

H10276

A805213

Q6948297

W-108409

METHYL PALMITATE

Methyl hexadecanoate

112-39-0

Palmitic acid methyl ester

Hexadecanoic acid, methyl ester

Palmitic acid, methyl ester

Methyl n-hexadecanoate

Uniphat A60

Metholene 2216

n-Hexadecanoic acid methyl ester

Hexadecanoic acid methyl ester

HSDB 5570

UNII-DPY8VCM98I

DPY8VCM98I

NSC 4197

EINECS 203-966-3

AI3-03509

DUB PM COS

NSC-4197

MFCD00008994

AEC METHYL PALMITATE

DTXSID4029149

CHEBI:69187

EC 203-966-3

WE(1:0/16:0)

METHYL PALMITATE (USP-RS)

METHYL PALMITATE [USP-RS]

hexadecanoic acid-methyl ester

formyl hexadecanoate

Methyl palmitic acid

palmitic methyl ester

methyl hexadecanoic acid

a methylhexadecanoic acid

Emery 2216

Radia 7120

Hexadecanoate methyl ester

C16 FAME

Methyl palmitate, >=97%

SCHEMBL37365

CHEMBL335125

DTXCID909149

METHYL PALMITATE [HSDB]

METHYL PALMITATE [INCI]

NSC4197

HMS3650G09

AMY40844

CS-D1457

HY-N1482

Tox21_202768

BBL010507

LMFA07010470

Methyl palmitate, analytical standard

s9383

STL146153

AKOS005715213

CCG-267168

MCULE-2282587787

NCGC00260315-01

CAS-112-39-0

Methyl palmitate, >=99% (capillary GC)

DB-041084

Hexadecanoic acid methyl ester (FAME MIX)

NS00006070

P0006

S0311

C16995

D70331

EN300-18532402

SR-01000946783

J-002763

Methyl hexadecanoate; Hexadecanoic acid methyl ester

SR-01000946783-1

Q16676086

844D5088-5CCF-4B2D-A678-EA5A7E8CB149

Tert-Butyl3-(N-Hydroxycarbamimidoyl)piperidine-1-carboxylate

Methyl palmitate, United States Pharmacopeia (USP) Reference Standard

The Henry's Law constant for methyl palmitate is estimated as 0.009 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that methyl palmitate 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 approximately 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 approximately 6.5 days(SRC). Methyl palmitate's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be about 60 hours ignoring adsorption; when considering maximum adsorption the volatilization half-life increases to 150 days(3). Methyl palmitate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.00006 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) USEPA; EXAMS II Computer Simulation (1987) (4) Perry RH, Green D; Perry's Chemical Engineer's Handbook. Physical and Chemical Data. NY,NY: McGraw-Hill 6th ed (1984)

Insol in water; very sol in ethyl alc, acetone; sol in ether
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-184
Literature: #Insoluble in water, soluble in alcohol and ether
Literature: Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 776

Using a structure estimation method based on molecular connectivity indices(1), the Koc for methyl palmitate can be estimated to be about 18,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl palmitate is expected to be immobile in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)

2-Ethylhexyl valerate

2-Ethylhexyl pentanoate

5451-87-6

Valeric acid, 2-ethylhexyl ester

Pentanoic acid, 2-ethylhexyl ester

EINECS 226-688-4

starbld0008639

2-Ethylhexyl pentanoate #

SCHEMBL3849332

pentanoic acid 2-ethylhexyl ester

DTXSID201314822

NSC21872

NSC 21872

NSC-21872

AS-77145

NS00043956

D93499

4-Methyl-2-pentanone

METHYL ISOBUTYL KETONE

4-Methylpentan-2-one

108-10-1

Isopropylacetone

Isobutyl methyl ketone

MIBK

Hexone

2-Pentanone, 4-methyl-

4-Methyl-2-oxopentane

Methylisobutylketon

Isohexanone

2-Methyl-4-pentanone

Shell mibk

Metilisobutilchetone

Metyloizobutyloketon

Hexon

Isobutyl-methylketon

2-Methylpropyl methyl ketone

Isopropyl acetone

Methyl-isobutyl-cetone

4-Methyl-2-pentanon

4-Metilpentan-2-one

Ketone, isobutyl methyl

4-Methyl-pentan-2-on

Caswell No. 574AA

4-Methyl-pentan-2-one

FEMA No. 2731

FEMA Number 2731

methylisobutylketone

Rcra waste number U161

NSC 5712

METHYL ISO-BUTYL KETONE

CCRIS 2052

HSDB 148

4-Methyl-2-pentanone (natural)

UNII-U5T7B88CNP

EINECS 203-550-1

U5T7B88CNP

EPA Pesticide Chemical Code 044105

methyl isobutylketone

BRN 0605399

2-Methyl-4-pentanal

Methyl I-butyl ketone

ethyl iso-butyl ketone

AI3-01229

NSC-5712

MFCD00008938

Methyl isobutyl ketone [NF]

DTXSID5021889

CHEBI:82344

EC 203-550-1

4-01-00-03305 (Beilstein Handbook Reference)

Hexon [Czech]

Methyl isobutyl ketone (NF)

MIK

methylisobutyl ketone

4-Methyl-2-pentanone, >=99%

METHYLISOBUTYLKETONE (USP-RS)

METHYLISOBUTYLKETONE [USP-RS]

METHYL ISOBUTYL KETONE (IARC)

METHYL ISOBUTYL KETONE [IARC]

METHYL ISOBUTYL KETONE (MART.)

METHYL ISOBUTYL KETONE [MART.]

METHYL ISOBUTYL KETONE (USP-RS)

METHYL ISOBUTYL KETONE [USP-RS]

Isobutyl-methylketon [Czech]

Metyloizobutyloketon [Polish]

isobutylmethyl ketone

Metilisobutilchetone [Italian]

4-Methyl-2-pentanon [Czech]

Methyl-isobutyl-cetone [French]

4-Metilpentan-2-one [Italian]

4-methyl 2-pentanone

Methylisobutylketon [Dutch, German]

UN1245

RCRA waste no. U161

4-Methyl-pentan-2-on [Dutch, German]

methylisobutyketone

isobutylmethylketone

methylisobutlyketone

i-BuCOMe

methylisobutyl keton

methylisobutyl-keton

Methylpentan-2-one

iso-butylmethylketone

methyl-isobutylketone

4-methyl-2pentanone

methy isobutyl ketone

methyl isobutyl keton

methyl iso-butylketone

methyl-iso-butylketone

methyl-isobutyl ketone

4-methylpentane-2-one

iso-C4H9COCH3

Methyl-2-pentanon,4-

4-methyl- 2-pentanone

MIBK [INCI]

methyl 2-methylpropyl ketone

SCHEMBL15458

ISOPROPYLACETONE [MI]

4-Methyl-2-pentanone(MIBK)

CHEMBL285323

DTXCID701889

SCHEMBL13341539

NSC5712

Methyl isobutyl ketone, ACS grade

AMY11098

4-Methyl-2-pentanone, HPLC Grade

Methylisobutylketon(DUTCH, GERMAN)

Tox21_201108

WLN: 1Y1 & 1V1

4-METHYL-2-PENTANONE [FCC]

LMFA12000033

METHYL ISOBUTYL KETONE [HSDB]

4-METHYL-2-PENTANONE [FHFI]

AKOS000118793

4-Methyl-2-pentanone, AR, >=99%

4-Methyl-2-pentanone, LR, >=99%

MCULE-2172909634

UN 1245

4-Methyl-2-pentanone, >=99%, FCC

NCGC00091475-01

NCGC00091475-02

NCGC00258660-01

4-Methyl-pentan-2-on(DUTCH, GERMAN)

BP-13453

CAS-108-10-1

4-Methyl-2-pentanone, analytical standard

>99.5%(GC)

M0389

NS00009293

4-Methyl-2-pentanone, technical grade, 95%

4-Methyl-2-pentanone, for HPLC, >=99.5%

C19263

D04989

4-Methyl-2-pentanone, ACS reagent, >=98.5%

A801806

Q418104

4-Methyl-2-pentanone, SAJ first grade, >=99.0%

J-515799

Methyl isobutyl ketone, p.a., ACS reagent, 98.5%

Q-200495

2-PENTANONE,4-METHYL METHYL,ISOBUTYL,KETONE

4-Methyl-2-pentanone, JIS special grade, >=99.5%

ISOBUTYL METHYL KETONE (METHYL ISOBUTYL KETONE)

Methyl isobutyl ketone [UN1245] [Flammable liquid]

F1908-0087

InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H

4-Methyl-2-pentanone, puriss. p.a., ACS reagent, >=99.0% (GC)

4-Methyl-2-pentanone, puriss., ACS reagent, reag. Ph. Eur., 99.0%

4-Methyl-2-pentanone, suitable for atomic absorption spectrometry, >=99.5%

ALFA-[(PHENYLMETHOXY)CARBONYL]OXY-1-PIPERIDINEACETICACIDMETHYLESTER

Methyl isobutyl ketone, United States Pharmacopeia (USP) Reference Standard

Methyl Isobutyl Ketone, Pharmaceutical Secondary Standard; Certified Reference Material

The Henry's Law constant for methyl isobutyl ketone is estimated as 1.4X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 19.9 mm Hg(1), and water solubility, 19,000 mg/L (2). This Henry's Law constant indicates that methyl isobutyl ketone 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 9 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 6 days(SRC). Methyl isobutyl ketone's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of methyl isobutyl ketone 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. NY,NY: Hemisphere Pub Corp (1989) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility Ver 5. Univ Ariz Tucson AR (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)

The Koc of methyl isobutyl ketone is estimated as 120(SRC), using a log Kow of 1.31(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyl isobutyl ketone is expected to have high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 24 (1995) (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)

6,10,14-Trimethylpentadecan-2-one

502-69-2

PHYTONE

Fitone

Hexahydrofarnesyl acetone

Perhydrofarnesyl acetone

2-Pentadecanone, 6,10,14-trimethyl-

6,10,14-TRIMETHYL-2-PENTADECANONE

Hexahydrofarnesylacetone

(+)-Phytone

MFCD00065420

Phytol ketone

(R,R)-Phytone

(+/-)-Phytone; 6,10,14-Trimethylpentadecan-2-one; Hexahydrofarnesyl acetone

EINECS 207-950-7

(+/-)-Phytone

SCHEMBL716506

DTXSID40862063

CHEBI:145744

HY-N3074

6,10,14-trimethyl-2-pentadecanon

AC6244

STK761211

6,10,14-trimethyl pentadecan-2-one

6,10,14-trimethyl-pentadecan-2-one

AKOS001727037

AKOS016347358

6,10,14-trimethyl-pentadecane-2-one

MCULE-5164481361

AS-78022

SY249550

DB-051748

CS-0023161

NS00043093

SR-01000526355

SR-01000526355-1

W-109084

Q67880075

()-Phytone; 6,10,14-Trimethylpentadecan-2-one; Hexahydrofarnesyl acetone