2,5-DIMETHYLFURAN

625-86-5

Furan, 2,5-dimethyl-

2,5-Dimethylfurane

2,5-dimethyl-furan

MFCD00003250

DR5HL9OJ7Y

2,5-Dimethylfuran-d6

DTXSID7022093

CHEBI:89052

NSC-6220

2,5-Dimethyl furan

CCRIS 3158

121571-93-5

NSC 6220

EINECS 210-914-3

UNII-DR5HL9OJ7Y

2,5-Dimethylfuran; 2-Methyl-5-methylfuran; NSC 6220

AI3-21212

NSC6220

2,5-DIMETYLFURAN

2,5-Dimethylfuran, 99%

WLN: T5OJ B1 E1

DIMETHYLFURAN, 2,5-

DTXCID102093

2,5-Dimethylfuran, >=99%

CHEMBL1416448

FEMA NO. 4106

2,5-DIMETHYLFURAN [MI]

2,5-DIMETHYLFURAN [FHFI]

STR09233

Tox21_202472

AKOS000120051

AM81813

MCULE-2776549830

PS-9347

NCGC00091694-01

NCGC00260021-01

CAS-625-86-5

DB-015920

DB-302475

D0725

NS00022555

EN300-19818

F16580

2,5-Dimethylfuran 100 microg/mL in Acetonitrile

Q209267

2,5-Dimethylfuran 1000 microg/mL in Acetonitrile

Q-100722

F0001-1679

InChI=1/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H

2-isopropylfuran

10599-59-4

2-propan-2-ylfuran

2-(propan-2-yl)furan

B44A434J7U

Furan, (1-methylethyl)-

isopropylfuran

2-isopropyl-furan

2-propan-2-yluran

SCHEMBL80874

UNII-B44A434J7U

2-(1-Methylethyl)furan, 9CI

DTXSID50480176

CHEBI:184504

AMY39189

AKOS006305686

DS-6277

SB60995

CS-0039071

A801350

2,3,5-Trimethylfuran

10504-04-8

Furan, 2,3,5-trimethyl-

MFCD03931179

2,3,5-Trimethyl-Furan

2,3,5-trimethyluran

2,3,5-Trimethylfuran #

SCHEMBL182910

SCHEMBL10768398

DTXSID10146923

CHEBI:189311

NJXZFRUNHWKHEC-UHFFFAOYSA-N

BBL102599

GEO-02420

STL556402

AKOS005257003

MS-20465

CS-0339599

2-Ethyl-5-methylfuran

1703-52-2

Furan, 2-ethyl-5-methyl-

2-ethyl-5-methyl furan

2-Methyl-5-ethylfuran

2-Ethyl-5-methyl-furan

PG4BLD3EJI

EINECS 216-937-5

UNII-PG4BLD3EJI

furan, 2-methyl, 5-ethyl

SCHEMBL144611

1-ETHYL-5-METHYLFURAN

5-METHYL-2-ETHYLFURAN

CHEBI:88617

DTXSID80168839

AKOS006228280

SB61677

AS-57447

CS-0333891

NS00021742

Q27160507

2-Ethylfuran

3208-16-0

Furan, 2-ethyl-

alpha-Ethylfuran

2-Ethyloxole

2-ETHYL FURAN

FEMA No. 3673

2-ethyl-furan

2-Ethyl furane

Furan, .alpha.-ethyl-

T8O6J71T9O

FEMA 3673

MFCD00003259

CCRIS 4387

2-Ethylfuran; ?-Ethylfuran; Furan, 2-ethyl-

EINECS 221-714-0

UNII-T8O6J71T9O

alpha-Ethyl-Furan

2-Ethylfuran, 97%

.ALPHA.-ETHYLFURAN

2-Ethylfuran, >=99%

2-ETHYLFURAN [FHFI]

CHEMBL2269084

DTXSID7062906

2-Ethylfuran, analytical standard

CHEBI:141565

GEO-01350

AKOS005254497

CS-W013731

MCULE-6819919667

SB60988

2-Ethylfuran 100 microg/mL in Acetonitrile

E0454

NS00022047

EN300-51262

S10154

A821123

W-106860

Q17989420

Z640169748

InChI=1/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H

Furaneol

3658-77-3

4-hydroxy-2,5-dimethylfuran-3(2H)-one

4-Hydroxy-2,5-dimethyl-3(2H)-furanone

4-Hydroxy-2,5-dimethyl-3(2H)furanone

2,5-Dimethyl-4-hydroxy-3(2H)-furanone

Pineapple ketone

Dimethylhydroxy furanone

Alletone

3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-

4-hydroxy-2,5-dimethylfuran-3-one

Strawberry furanone

4-hydroxy-2,5-dimethyl-3-furanone

Coe 536

FEMA No. 3174

FEMA 3174

2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-one

2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuran

4-Hydroxy-2,5-dimethylfuran-2(3H)-one

4-hydroxy-2,5-dimethyl-2,3-dihydrofuran-3-one

3(2H)-FURANONE, 2,5-DIMETHYL-4-HYDROXY-

20PI8YZP7A

192466-95-8

DTXSID0041517

CHEBI:76247

MFCD00010706

EINECS 222-908-8

UNII-20PI8YZP7A

BRN 1281357

CCRIS 8102

4-Hydroxy-2,5-dimethyl-3(2H)-furanone (natural)

ALNOSE

HDMF

dimethylhydroxyfuranone

(+/-)-Furaneol

SCHEMBL57008

CHEMBL3186302

DIMETHYL DIHYDROFURANOLONE

DTXCID8021517

HSDB 8322

HY-N7093

Tox21_300823

2,5-DIMETHYLDIHYDROFURANOLONE

AC8010

s5178

AKOS015900499

CS-W013470

DIMETHYLHYDROXY FURANONE [INCI]

MCULE-3813239281

SB60884

NCGC00248185-01

NCGC00254727-01

2,5-dimethyl-4-hydroxy-2h-furan-3-one

2,5-dimethyl-4-hydroxy-3[2H] furanone

4-hydroxy-2,5-dimethyl-3-oxo-2H-furan

AC-14027

AS-15673

SY035594

CAS-3658-77-3

2,5-dimethyl-4-hydroxy-3-(2H)-furanone

2.5-dimethyl-4-hydroxy-3-(2H)-furanone

4-hydroxy-2,5-dimethyl-furan-3(2H)-one

DB-003486

2,5-dimethyl-4-hydroxy-(2h)-furan-3-one

2,5-dimethyl-4-hydroxy-3-oxo-(2H)-furan

D1569

D1884

NS00012307

C20717

EN300-175904

2,3-Dihydro-4-hydroxy-2,5-dimethyl-3-furanone

4-oxo-3-hydroxy-2,5-dimethyl-4,5-dihydrofuran

A823300

Q250455

Q-100434

4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE [FCC]

4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE [FHFI]

Z1255395050

2,5-Dimethyl-4-hydroxy-3(2H)-furanone (Technical Grade)

4-Hydroxy-2,5-dimethyl-3(2H)-furanone, >=99.0% (GC)

4-Hydroxy-2,5-dimethyl-3(2H)-furanone, >=98%, FCC, FG

4-Hydroxy-2,5-dimethyl-3(2H)-furanone, analytical standard

4-Hydroxy-2,5-dimethyl-3(2H)-furanone, natural, >=98%, FG

InChI=1/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H

4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 15 wt. % (in propylene glycol), FG

The Henry's Law constant for dimethylhydroxy furanone is estimated as 1.5X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dimethylhydroxy furanone 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 3 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 25 days(SRC). Dimethylhydroxy furanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dimethylhydroxy furanone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.008 mm Hg(SRC), determined from a fragment constant method(1); however, dimethylhydroxy furanone does emit an odor(3) even though it exists as a solid.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 13, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Panten J, Surburg H; Flavors and Fragrances, 3. Aromatic and Heterocyclic Compounds. Ullmann's Encyclopedia of Industrial Chemistry. 7th ed. (1999-2016). New York, NY: John Wiley & Sons. Online Posting Date: Jan 28, 2016.

In water, 0.315 g/mL at 25 deg C
Literature: Chen Y, Sidisky LM; J Chromatogr A 1218(38): 6817-6822 (2011)
Literature: #Soluble in oil and ethanol
Literature: Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 921

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dimethylhydroxy furanone can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that dimethylhydroxy furanone is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 13, 2016: http://www2.epa.gov/tsca-screening-tools/ (2) Swann RL et al; Res Rev 85: 17-28 (1983)

4-ethyloxolan-2-one

16496-51-8

4-ethyldihydrofuran-2(3H)-one

2(3H)-Furanone, 4-ethyldihydro-

Aethyl-butyrolacton

4-Ethylbutan-4-olide

Aethyl-butyrolacton [German]

BRN 0107277

Dihydro-4-ethyl-2(3H)-furanone

2(3H)-FURANONE, DIHYDRO-4-ETHYL-

Brivaracetam Impurity 28

5-17-09-00042 (Beilstein Handbook Reference)

SCHEMBL9616911

DTXSID90937018

MDQZVJSUBKPTHG-UHFFFAOYSA-N

BS-46704

F77504

STYRENE

Ethenylbenzene

100-42-5

Vinylbenzene

Phenylethylene

Styrol

Benzene, ethenyl-

Cinnamene

Phenylethene

Styrolene

Phenethylene

Styrene monomer

9003-53-6

Vinylbenzol

Vinyl benzene

Styropol SO

Styren

Styrole

Benzene, vinyl-

Ethylene, phenyl-

Vinylbenzen

Stirolo

Styreen

Cinnamenol

Cinnamol

Vinyl-benzene

Bulstren K-525-19

Annamene

NCI-C02200

FEMA No. 3233

FEMA Number 3234

Styrol [German]

CCRIS 564

NSC 62785

Cinnaminol

HSDB 171

EINECS 202-851-5

UNII-44LJ2U959V

25086-18-4

DTXSID2021284

CHEBI:27452

AI3-24374

MAOMIN SM

44LJ2U959V

trans-Styrene-(beta)-d

NSC-62785

STYRENE-ALPHA-13C

STYRENE-BETA,BETA-D2

DTXCID501284

Benzene, (1Z)-ethenyl-2-d-

Styrol (German)

EC 202-851-5

TTB 7302

MFCD00084450

Styrene-d5(StabilizedwithHydroquinone)

12770-88-6

Diarex hf 77

NCGC00091056-01

STYRENE-ALPHA,2,3,4,5,6-D6

STYRENE (IARC)

STYRENE [IARC]

Styreen [Dutch]

Styren [Czech]

Styrene, analytical standard

Stirolo [Italian]

Benzene-d5, ethenyl-d3-

Vinylbenzen [Czech]

Vinylbenzen [Dutch]

6911-81-5

Styron

Styrene 100 microg/mL in Methanol

MFCD00008612

styrene, monomer

Monomer, Styrene

MFCD00044231

Styrene (monomer)

CAS-100-42-5

COLESTYRAMINE IMPURITY A (EP IMPURITY)

COLESTYRAMINE IMPURITY A [EP IMPURITY]

Vinylbenzene, inhibited

Phenylethylene, inhibited

UN2055

Styrene monomer, inhibited

ethenyl-benzene

phenyl-ethylene

p-vinyl benzene

Styron (Salt/Mix)

Ethenylbenzene, 9CI

Styropol (Salt/Mix)

Styropor (Salt/Mix)

PhCH=CH2

STYRENE [HSDB]

STYRENE [INCI]

Styrene, >=99%

STYRENE [MI]

Diarex hf 77 (Salt/Mix)

UN 2055 (Salt/Mix)

WLN: 1U1R

BIDD:ER0247

CHEMBL285235

NSC62785

Styrene, ReagentPlus(R), 99.9%

Tox21_113245

Tox21_200808

STL283958

Styrene 2000 microg/mL in Methanol

Styrene 5000 microg/mL in Methanol

AKOS000119972

MCULE-4715354738

Styrene, SAJ first grade, >=99.0%

NCGC00091056-02

NCGC00091056-03

NCGC00091056-04

NCGC00091056-05

NCGC00258362-01

BP-13451

SY061549

Styrene Solution 0.0001 Wt% in Toluene

DB-244813

diameter 0.05 - 0.1um ,2.5% w/v

NS00010820

S0651

EN300-19671

C07083

C19506

Q28917

Styrene (stabilized with 4-tert-Butylcatechol)

A800199

Styrene, 99.5% stab. with 4-tert-Butylcatechol

Styrene contains 4-tert-Butylcatechol as stabilizer

F1908-0130

Z104474664

Styrene monomer, inhibited [UN2055] [Flammable liquid]

InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H

Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%

98444-30-5

The Henry's Law constant for styrene is reported as 2.75X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that styrene is expected to volatilize from water surfaces(2). Under laboratory conditions, 50% of 2 to 10 mg styrene per liter (depth not specified) was lost by volatilization in 1 to 3 hrs in lake water samples and in 6 to 7 hrs in distilled water, respectively(3). In other studies, the level of styrene in water samples fell from 23 to 3.3 and 0.4 mg/L in 2 hrs and 7 days, respectively, and from 46 to 12.5 and 1.5 mg/L in 2 hrs and 10 days, respectively(4). These findings are relevant to surface waters but not to deeper waters(4). The volatilization half-life of styrene in Rhine River water was 14 days(5). Volatilization of styrene from moist soil surfaces would be slower than in water(4). Samples at 1.5 cm deep of a loamy soil, 26% of 2 mg/kg styrene added volatilized in 31 days(3). The transfer to the air was even slower and less extensive from deep soil(4). The potential for volatilization of styrene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 6.4 mm Hg(6).
Literature: (1) Bocek K; Experimetia, Suppl 23: 231-40 (1976) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Fu MH, Alexander M; Environ Sci Technol 26: 1540-4 (1992) (4) Alexander M; Crit Rev Env Sci Technol 27: 383-410 (1997) (5) Zoeteman BCJ et al; Chemosphere 9: 231-49 (1980) (6) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)

The log Koc of styrene is reported to be 2.96(1). According to a classification scheme(2), this Koc value suggests that styrene is expected to have low mobility in soil. More than 85% of styrene is sorbed in 78 hrs on samples from a sandy aquifer(3). Styrene is retained by particulates particularly in organic matter-rich soils(3). Of styrene that had been allowed to sorb for 3 days, 61.0 and 66.7% was desorbed in 16 days from soil and aquifer soils, respectively(4).
Literature: (1) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Fu MH, Alexander M; Environ Sci Technol 26: 1540-4 (1992) (4) Fu MH et al; Environ Toxicol Chem 13: 749-53 (1994)

DODECANE

n-Dodecane

112-40-3

Dihexyl

Bihexyl

Adakane 12

93685-81-5

N-Dodecan

Duodecane

Ba 51-090453

NSC 8714

CCRIS 661

dodecan

Dodekan

HSDB 5133

EINECS 203-967-9

UNII-11A386X1QH

BRN 1697175

DTXSID0026913

CHEBI:28817

11A386X1QH

NSC-8714

DTXCID906913

EC 203-967-9

4-01-00-00498 (Beilstein Handbook Reference)

93924-07-3

Undecane, methyl-

n-Dodecan [German]

CH3-(CH2)10-CH3

CH3-[CH2]10-CH3

Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated

129813-67-8

D12

normal dodecane

Normal Paraffin M

EINECS 297-629-8

EINECS 300-199-7

MFCD00008969

Norpar 13

Dodecane, 99%

Alkane C(12)

1-DODECANE

DODECANE [HSDB]

DODECANE [INCI]

C12-N-ALKANE

EC 300-199-7

Dodecane(mixture of isomers)

Dodecane, analytical standard

CHEMBL30959

Density Standard 749 kg/m3

Dodecane, anhydrous, >=99%

WLN: 12H

CH3(CH2)10CH3

NSC8714

Tox21_303615

Dodecane, ReagentPlus(R), >=99%

LMFA11000004

STL280320

Dodecane, technical, >=90% (GC)

AKOS015904160

MCULE-3947157412

NCGC00166012-01

NCGC00257481-01

CAS-112-40-3

DA-16704

LS-14163

CS-0152244

D0968

NS00009666

D5580 n-Dodecane, 1.5% w/w in Isooctane

C08374

Q150744

1310FACD-F2BF-4FD7-BC20-B21DF06EDE79

J-002767

Dodecane, certified reference material, TraceCERT(R)

F0001-0259

Density Standard 749 kg/m3, H&D Fitzgerald Ltd. Quality

InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H

The Henry's Law constant for dodecane is estimated as 8.2 atm-cu m/mole(SRC) derived from its vapor pressure, 0.135 mm Hg(1), and water solubility, 3.7X10-3 mg/L(2). This Henry's Law constant indicates that dodecane 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 4 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 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 32 days if adsorption is considered(4). Dodecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dodecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Kertes AS; Hydrocarbons with Water and Seawater Part II. Hydrocarbons C8 to C31. Solubility Data Series Vol 38. Shaw PC, ed., London, UK: Pergamon Press, 553 pp (1989) (2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp 5 Vol (1994) (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)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dodecane can be estimated to be 4800(SRC). According to a classification scheme(2), this estimated Koc value suggests that dodecane is expected to have slight mobility in soil. In a study conducted to mimic a spill of 1.27 L/sq m, dodecane (present in JP-4 jet fuel) was transported to a depth of 10 cm; at the end of the study (134 days), it was no longer detected(3). In another study, it was determined that dodecane is slowly intercalated into well dried montmorillonite clay(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 25, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton, OH: Monsanto Res Corp. pp. 173 (1982) (4) Eltantawy IM, Arnold PW; Nature (London) Phys Sci 237: 123-25 (1972)

Isobutanol

2-Methyl-1-propanol

ISOBUTYL ALCOHOL

2-Methylpropan-1-ol

78-83-1

1-Propanol, 2-methyl-

1-Hydroxymethylpropane

Isopropylcarbinol

Iso-butyl alcohol

2-Methylpropyl alcohol

i-Butyl alcohol

Isobutylalkohol

2-Methylpropanol

Alcool isobutylique

2-Methyl propanol

Fermentation butyl alcohol

i-Butanol

RCRA waste number U140

2-Methylpropanol-1

FEMA No. 2179

Isopropyl carbitol

NSC 5708

Methyl-2 propanol-1

iso-C4H9OH

MFCD00004740

2-methyl-1-propanyl alcohol

56F9Z98TEM

DTXSID0021759

CHEBI:46645

2-Methyl-d3-propyl--d4 Alcohol

NSC-5708

68989-27-5

Isobutylalkohol [Czech]

iso-butanol

FEMA Number 2179

Isobutyl alcohol (natural)

Isopropyl carbinol

Alcool isobutylique [French]

HSDB 49

CCRIS 2300

EINECS 201-148-0

UN1212

RCRA waste no. U140

BRN 1730878

isobutylalcohol

UNII-56F9Z98TEM

iso butanol

Butanol-iso

AI3-01777

2-methylpropanoI

iBuOH

2-methyl-propanol

iso-BuOH

i-BuOH

2-methyl-l-propanol

2-methyl-n-propanol

Isobutanol ACS grade

Propanol, 2-methyl-

2-methyl-propan-1-ol

Isobutanol, HPLC Grade

EC 201-148-0

Isobutanol, Isobutyl alcohol

4-01-00-01588 (Beilstein Handbook Reference)

BIDD:ER0628

Isobutanol or isobutyl alcohol

ISOBUTYL ALCOHOL [II]

ISOBUTYL ALCOHOL [MI]

2-Methyl-1-propanol, 99%

ISOBUTYL ALCOHOL [FCC]

CHEMBL269630

DTXCID601759

ISOBUTYL ALCOHOL [FHFI]

ISOBUTYL ALCOHOL [HSDB]

WLN: Q1Y1&1

ISOBUTYL ALCOHOL [MART.]

NSC5708

2-Methyl-1-propanol, 99.5%

2-Methyl-1-propanol, AR, 99%

Isobutanol, Spectrophotometric Grade

Tox21_201214

ISOBUTYL ALCOHOL (ISOBUTANOL)

LMFA05000100

STL185664

2-methyl-1-propanol(isobutyl alcohol)

2-Methyl-1-propanol, LR, >=99%

AKOS000118740

Isobutyl alcohol, >=99%, FCC, FG

MCULE-6294327194

UN 1212

2-METHYL-1-PROPANOL [USP-RS]

CAS-78-83-1

NCGC00091851-01

NCGC00091851-02

NCGC00258766-01

2-Methyl-1-propanol, analytical standard

2-Methyl-1-propanol, anhydrous, 99.5%

2-?Methyl-?1-?propanol(Isobutyl Alcohol)

2-Methyl-1-propanol, for HPLC, 99.5%

Isobutyl alcohol, ACS reagent, >=99.0%

I0094

NS00008599

EN300-19336

Isobutyl alcohol 5000 microg/mL in Methanol

2-Methyl-1-propanol 10 microg/mL in Methanol

Isobutyl alcohol, natural, >=99%, FCC, FG

2-Methyl-1-propanol, ACS reagent, >=99.0%

Q151797

2-Methyl-1-propanol, p.a., ACS reagent, 99.0%

2-Methyl-1-propanol, SAJ first grade, >=99.0%

J-509912

2-Methyl-1-propanol, JIS special grade, >=99.0%

F0001-2058

InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H

2-Methyl-1-propanol, ACS spectrophotometric grade, >=99.0%

2-Methyl-1-propanol, reag. ISO, 99%, UV HPLC spectroscopic

Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]

2-Methyl-1-propanol, puriss. p.a., ACS reagent, >=99.5% (GC)

2-Methyl-1-propanol, BioUltra, for molecular biology, >=99.5% (GC)

2-Methyl-1-propanol, United States Pharmacopeia (USP) Reference Standard

2-Methyl-1-propanol, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99% (GC)

5OZ

The Henry's Law constant for isobutyl alcohol is 9.78X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that isobutyl alcohol 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 3.3 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 27 days(SRC). Isobutyl alcohol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isobutyl alcohol is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 10.4 mm Hg at 25 deg C(3).
Literature: (1) Snider JR, Dawson; J Geophys Res 90: 3797-3805 (1985) (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)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobutyl alcohol can be estimated to be 2.9(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobutyl alcohol is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of June 10, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Isoamyl alcohol

3-Methyl-1-butanol

Isopentyl alcohol

3-Methylbutan-1-ol

123-51-3

Isopentanol

3-Methylbutanol

1-Butanol, 3-methyl-

Isoamylol

Isobutylcarbinol

Iso-amylalkohol

2-Methyl-4-butanol

Isobutyl carbinol

Iso-amyl alcohol

ISOAMYLALCOHOL

Alcool isoamylique

Amylowy alkohol

Isoamyl alkohol

Alcool amilico

Fermentation amyl alcohol

i-Amyl Alcohol

3-Metil-butanolo

isopentan-1-ol

Primary isoamyl alcohol

Isoamyl alcohol (natural)

1-Hydroxy-3-Methylbutane

FEMA No. 2057

FEMA Number 2057

NSC 1029

3-methylbutyl alcohol

MFCD00002934

HSDB 605

Isopentylalkohol

3-Methyl-Butan-1-Ol

Isoamyl alcohol, primary

UNII-DEM9NIT1J4

DEM9NIT1J4

3-methyl-Butanol

EINECS 204-633-5

CCRIS 8806

DTXSID3025469

CHEBI:15837

AI3-15288

Methyl-3-butan-1-ol

NSC-1029

NSC-7905

Butan-1-ol, 3-methyl

Fuseloel

DTXCID705469

Huile de fusel

3-METHYL-BUTAN-(1)-OL

EC 204-633-5

EINECS 229-179-5

Magnesium bis(3-methylbutan-1-olate)

isoamyl-alcohol

WLN: Q2Y1 & 1

Isoamyl alkohol [Czech]

Alcool amilico [Italian]

Amylowy alkohol [Polish]

Iso-amylalkohol [German]

3-METHYL-1-BUTANOL (USP-RS)

3-METHYL-1-BUTANOL [USP-RS]

Alcool isoamylique [French]

3-Metil-butanolo [Italian]

6423-06-9

iso-amylalcohol

isopentylalcohol

3-methylbutanoI

3-methyl butanol

Iso Amyl Alcohol

3-methyl 1-butanol

3-methyl-1 butanol

3-methylbutane-1-ol

Butanol, 3-methyl-

Isoamyl alcohol (primary and secondary)

?3-Methyl-1-butanol

POTATO SPIRIT OIL

3-Methyl-1-butanol, 98%

ISOAMYL ALCOHOL [FCC]

ISOAMYL ALCOHOL [FHFI]

ISOAMYL ALCOHOL [HSDB]

ISOAMYL ALCOHOL [INCI]

ISOPENTYL ALCOHOL [MI]

CHEMBL372396

QSPL 002

Isoamyl alcohol, >=98%, FG

NSC1029

NSC7905

for molecular biology,>99%(GC)

Isoamyl alcohol (3-methyl butanol)

isopentyl alcohol (isoamyl alcohol)

3-Methylbutanol, analytical standard

Tox21_302359

LMFA05000108

STL282718

3-Methyl-1-butanol A.C.S. Reagent

3-Methyl-1-butanol, LR, >=98%

AKOS000118739

DB02296

MCULE-7411270401

3-Methyl-1-butanol, p.a., 99.8%

Isoamyl alcohol, natural, >=98%, FG

3-Methyl-1-butanol, analytical standard

NCGC00255329-01

3-Methyl-1-butanol, anhydrous, >=99%

8013-75-0

CAS-123-51-3

3-Methyl-1-butanol, reagent grade, 98%

3-Methyl-1-butanol, technical grade, 95%

I0289

NS00008204

EN300-19333

3-Methyl-1-butanol, ACS reagent, >=98.5%

3-Methyl-1-butanol, biotech. grade, >=99%

3-Methyl-1-butanol, ReagentPlus(R), >=99%

C07328

3-Methyl-1-butanol, SAJ first grade, >=96.0%

Q223101

3-Methyl-1-butanol, JIS special grade, >=98.0%

F0001-0367

Z104473558

3-Methylbutanol, BioReagent, for molecular biology, >=98.5%

3-Methylbutanol, puriss. p.a., ACS reagent, >=98.5% (GC)

3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC)

InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H

3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard

3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%

The Henry's Law constant for isopentanol is 1.41X10-5 atm-cu m/mol(1). Using this value for the Henry's Law constant, one can estimate that the volatilization half-life of isopentanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 2.55 days(2). Similarly, the half-life of isopentanol in a model lake 1 m deep with a 0.05 m/s current and a 0.5 m/s wind is 21 days(2). In view of isopentanol's relatively high vapor pressure, 2.37 mm Hg at 25 deg C(3) and moderate Henry's Law constant and low adsorptivity to soil, isopentanol would be expected to volatilize from dry and moist soil(SRC).
Literature: (1) Butler JAV et al; J Chem Soc 1935: 280-5 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 15 (1982) (3) Riddick JA et al; Organic Solvents 4th ed; pp. 221-2 NY: Wiley (1986)

The Koc for isopentanol estimated from its water solubility, 26.7 mg/L(1), using recommended regression equations are 720(2) and 679(4). However, the chemicals used in developing these equations were mainly pesticides and their structures are not similar to isopentanol. The Koc for isopentanol estimated from molecular structure is 4(3). This should be a reasonable estimate for the Koc because it is close to the experimental value for the structurally similar chemical, 1-pentanol, 1.6(6). According to a suggested classification scheme(5), the estimated Kocs based on molecular structure suggests that isopentanol is very highly mobile in soil(SRC).
Literature: (1) Riddick JA et al; Organic Solvents 4th ed; pp. 211-2 NY: Wiley (1986) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. NY: McGraw-Hill Chapt 4 (1982) (3) Meylan WM et al; Environ Sci Technol 26: 1560-7 (1992) (4) Wauchope RD et al; Rev Environ Contam Toxicol 123: 1-155 (1991) (5) Swann RL et al; Res Rev 85: 17-28 (1983) (6) Gerstl Z, Helling CS; J Environ Sci Health B22: 55-69 (1987)