o-cresol

2-Methylphenol

95-48-7

Orthocresol

2-hydroxytoluene

2-Cresol

Phenol, 2-methyl-

o-methylphenol

o-Cresylic acid

o-Oxytoluene

o-Toluol

1-Hydroxy-2-methylbenzene

ortho-cresol

o-Hydroxytoluene

o-Methylphenylol

o-Kresol

Cresol, ortho-

Cresol, o-

2-Hydroxy-1-methylbenzene

o-Kresol [German]

2-methyl-phenol

Cresol, o-isomer

FEMA No. 3480

1-Methyl-2-hydroxybenzene

NSC 23076

o-Cresol-d3

YW84DH5I7U

DTXSID8021808

CHEBI:28054

2-methyl phenol

MFCD00002226

NSC-23076

NSC-36809

TOLUENE,2-HYDROXY (ORTHO-CRESOL)

o-Cresol [UN2076] [Poison, Corrosive]

2-Methylphenol; o-Cresol

WLN: QR B1

DTXCID901808

hydroxy toluene

CAS-95-48-7

Orthocresol [NF]

CCRIS 646

HSDB 1813

EINECS 202-423-8

UNII-YW84DH5I7U

ortho cresol

Methyl phenol

2-methyiphenol

AI3-00137

JZ0

O-Cresol,(S)

Carvacrol derivative, 9

O-CRESOL [FHFI]

O-CRESOL [INCI]

o-Cresol, >=99%

O-CRESOL [MI]

ORTHOCRESOL [HSDB]

bmse000433

EC 202-423-8

2-Methylphenol (o-cresol)

ortho-cresol,2-methylphenol

SCHEMBL16002

MLS002454426

o-Cresol, analytical standard

BIDD:ER0677

CHEMBL46931

DTXSID00185629

DTXSID40165844

2-Hydroxytoluene; 2-Methylphenol

BDBM248166

HMS2268O24

ORTHOCRESOL [USP IMPURITY]

o-Cresol, for synthesis, 99.3%

2-Methylphenol, analytical standard

NSC23076

NSC36809

Tox21_202305

Tox21_300021

STL194295

o-Cresol, ReagentPlus(R), >=99%

AKOS000119021

MCULE-4124485112

NCGC00091534-01

NCGC00091534-02

NCGC00091534-03

NCGC00091534-04

NCGC00254140-01

NCGC00259854-01

o-Cresol, SAJ first grade, >=97.0%

SMR001252248

2-Methylphenol 100 microg/mL in Methanol

METACRESOL IMPURITY B [EP IMPURITY]

NS00003545

EN300-19429

C01542

Q312708

J-006098

J-523819

F0001-2271

Z104473822

InChI=1/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H

The Henry's Law constant for o-cresol is 1.2X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that o-cresol 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 32 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 approximately 235 days(SRC). o-Cresol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). o-Cresol may volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.18 mm Hg at 25 °C(3).

A Koc of 22 was measured for o-cresol in a Brookston clay loam soil(1). The log Koc of o-cresol in river sediment and coal sediment was reported as 1.7 and 1.75, respectively(2), which correspond to Koc values of 50 and 56(SRC). Based on measured Freundlich isotherms for o-cresol in five different horizon soils (organic content of 0.3 to 0.9%)(3), the Koc ranged from 36 to 240 with an average of 147(SRC). An o-cresol Koc of 246 was determined in batch experiments using a sandy soil with an organic content of 1.5%(4). According to a classification scheme(5), these Koc values indicate that o-cresol is expected to have very high to moderate mobility in soil.

P-CYMENE

4-Isopropyltoluene

99-87-6

p-Isopropyltoluene

Dolcymene

Para-cymene

p-Cymol

Paracymene

Camphogen

p-Methylcumene

1-Isopropyl-4-methylbenzene

4-Cymene

2-p-Tolylpropane

Cymol

CYMENE

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

p-Methylisopropylbenzene

Paracymol

1-Methyl-4-isopropylbenzene

p-Cimene

4-Isopropyl-1-methylbenzene

Cumene, p-methyl-

4-Methylisopropylbenzene

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

p-methyl cumene

p-Isopropylmethylbenzene

4-Methyl-1-isopropylbenzene

Cymene, p-

Benzene, 1-isopropyl-4-methyl-

Isopropyltoluene

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

4-Isopropyltoluol

FEMA No. 2356

4-Isopropylbenzyl radical

4-methyl isopropylbenzene

4-Cymol

NSC 4162

1-methyl-4-propan-2-ylbenzene

HSDB 5128

Methyl-4-(1-methylethyl)benzene

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

EINECS 202-796-7

UNII-1G1C8T1N7Q

1-isopropyl-4-methyl-Benzene

1G1C8T1N7Q

DTXSID3026645

CHEBI:28768

AI3-02272

NSC-4162

p-Mentha-1,3,5-triene

DTXCID006645

EC 202-796-7

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

MFCD00008893

CYMENE (MART.)

CYMENE [MART.]

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

4939-75-7

para cymene

CAS-99-87-6

isopropyltoluol

p-methyl-Cumene

4-lsopropyltoluene

MML

?4-Isopropyltoluene

p-Cymene, 99%

p-Cymene [UN2046] [Flammable liquid]

p-Cymene [UN2046] [Flammable liquid]

Carvacrol derivative, 8

p-Methylisopropyl benzene

P- Isopropylmethylbenzene

P-CYMENE [FHFI]

P-CYMENE [HSDB]

P-CYMENE [INCI]

P-CYMENE [FCC]

P-CYMENE [MI]

bmse000503

P-CYMENE [WHO-DD]

p-Cymene, analytical standard

1-Methyl-4-isopropyl benzene

p-Cymene, >=97%, FG

CHEMBL442915

NSC4162

BDBM248165

benzene, 1-methyl-4-methylethyl-

WLN: 1Y1 & R D1

1-(1-methylethyl)-4-methylbenzene

Tox21_201932

Tox21_300338

s5598

AKOS000121521

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

CCG-266123

LMPR0102090014

MCULE-1794861612

p-Isopropyltoluene, analytical standard

USEPA/OPP Pesticide Code: 122103

NCGC00247998-01

NCGC00247998-02

NCGC00254425-01

NCGC00259481-01

AC-34132

AS-11012

NS00005157

S0664

EN300-21455

C06575

Q284072

W-100013

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

F8889-6466

Z104497772

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

The Henry's Law constant for p-cymene is estimated as 0.011 atm-cu m/mole(SRC), derived from its vapor pressure, 1.5 mm Hg(1), and water solubility, 23.4 mg/L(2). This Henry's Law constant indicates that p-cymene is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3.5 hours if adsorption is neglected(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.6 days if adsorption is neglected(SRC). The volatilization half-life from a model pond is about 30 days if adsorption is considered(4). p-Cymene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). p-Cymene is expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington, DC: Taylor and Francis (1996) (2) Banerjee S et al; Environ Sci Technol 11: 1227-29 (1980) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington

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

2-ACETYLPYRROLE

1072-83-9

1-(1H-Pyrrol-2-yl)ethanone

2-acetyl pyrrole

1-(1H-Pyrrol-2-yl)ethan-1-one

2-Pyrrolylethanone

Methyl pyrrol-2-yl ketone

2-Acetyl-1H-pyrrole

Ethanone, 1-(1H-pyrrol-2-yl)-

1-(1h-pyrrol-2-yl)-ethanone

Ketone, methyl pyrrol-2-yl

2-Pyrrolyl methyl ketone

Methyl 2-pyrrolyl ketone

1-(2-Pyrrolyl)-1-ethanone

PYRROLE-B-METHYL KETONE

FEMA No. 3202

1-(1H-pyrrole-2-yl)-ethanone

1-(1H-pyrrol-2-yl)1-ethanone

Pyrrole-alpha-methyl ketone

Pyrrole, 2-acetyl

CHEBI:59981

Methyl 2-pyrryl ketone

1H-Pyrrole, 2-acetyl

MFCD00005220

9K28W7PM6N

DTXSID0047084

NSC-42861

CCRIS 6778

EINECS 214-016-2

NSC 42861

BRN 0001882

UNII-9K28W7PM6N

2-Acetopyrrole

2-acetyl-pyrrole

Pseudoacetylpyrrole

2-Acetyl-1H-indole

Spectrum2_001956

Spectrum3_001993

Pyrryl-alpha-methyl ketone

Epitope ID:136036

BSPBio_003593

SPECTRUM240422

5-21-07-00204 (Beilstein Handbook Reference)

Pyrrole-.alpha.-methyl ketone

SCHEMBL150349

SPBio_002051

2-ACETYLPYRROLE [FCC]

SCHEMBL8153085

CHEMBL1414126

DTXCID8027084

FEMA 3202

KBio3_003031

1-(1H-Pyrrol-2-yl)ethanone #

NSC42861

2-Acetylpyrrole, analytical standard

Ethanone, 1-(1H-pyrrole-2-yl)-

Tox21_300952

BBL010104

CCG-39485

STK801458

1-(1H-Pyrrol-2-yl)ethanone, 9CI

AKOS000120308

AM90575

BS-3734

CS-W013672

HY-W012956

MCULE-8111376055

SB63880

SDCCGMLS-0066967.P001

2-Acetylpyrrole, ReagentPlus(R), 99%

METHYL 2-PYRROLYL KETONE [FHFI]

Methyl 2-pyrrolyl ketone, >=98%, FG

NCGC00095914-01

NCGC00095914-02

NCGC00095914-03

NCGC00254854-01

PD002086

SY011279

CAS-1072-83-9

1-(1H-pyrrol-2-yl)ethanone (acetylpyrrole)

A0894

NS00020922

EN300-17239

F14878

2-Acetylpyrrole, Vetec(TM) reagent grade, 98%

A895652

AI-942/25034253

SR-05000002372

Q-200225

SR-05000002372-1

Q27127005

Z56899162

F8889-9291

InChI=1/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H

2-Acetopyrrole; 2-Pyrrolyl methyl ketone; Ethanone, 1-(1H-pyrrol-2-yl)-; Methyl 2-pyrrolyl ketone

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 butyrate

Isopentyl butyrate

106-27-4

3-Methylbutyl butanoate

Isoamyl butanoate

ISOPENTYL BUTANOATE

3-Methylbutyl butyrate

Butanoic acid, 3-methylbutyl ester

Butyric acid, isopentyl ester

Isoamyl-n-butyrate

Isopentyl alcohol, butyrate

Isoamyl butylate

Isoamyl n-Butyrate

isoamylbutyrate

FEMA No. 2060

3-Methyl-1-butyl butanoate

Isopentyl-n-butyrate

butanoic acid 3-methylbutyl ester

butyric acid isopentyl ester

505AFM77VU

DTXSID3042059

CHEBI:87422

NSC-6548

WE(4:0(3Me)/4:0)

Butyric Acid Isoamyl Ester

Butyric acid isoamylester

Isoamyl butyrate (natural)

CCRIS 6556

NSC 6548

EINECS 203-380-8

BRN 1702557

UNII-505AFM77VU

AI3-06126

iso-Amyl n-butyrate

3-Methylbutyl n-butyrate

ISOAMYL BUTYRATE [MI]

SCHEMBL112594

ISOAMYL BUTYRATE [FCC]

ISOAMYL BUTYRATE [FHFI]

CHEMBL3187370

DTXCID1022059

NSC6548

Tox21_300384

Isoamyl butyrate, analytical standard

LMFA07010574

MFCD00044888

AKOS015907968

CS-W016198

HY-W015482

Isoamyl butyrate, >=98%, FCC, FG

MCULE-8558213018

NCGC00248015-01

NCGC00254545-01

CAS-106-27-4

LS-13707

DB-254948

B0760

NS00012653

E75851

Isoamyl butyrate, natural, >=98%, FCC, FG

A801410

Q49081089

InChI=1/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H

Isobutyl isobutyrate

97-85-8

2-Methylpropyl 2-methylpropanoate

Isobutyl isobutanoate

Isobutyl 2-methylpropanoate

2-Methylpropyl 2-methylpropionate

Isobutyric acid, isobutyl ester

Propanoic acid, 2-methyl-, 2-methylpropyl ester

2-METHYLPROPYL ISOBUTYRATE

Isobutylester kyseliny isomaselne

FEMA No. 2189

NSC 6538

2-Methyl-1-propyl 2-methylpropanoate

DTXSID6026612

Y495J99R5D

NSC-6538

Isobutyl ester of 2-methylpropanoic acid

WE(3:0(2Me)/3:0(2Me))

FEMA Number 2189

Isobutyl isobutyrate (natural)

HSDB 5311

EINECS 202-612-5

UN2528

BRN 1701355

Isobutylester kyseliny isomaselne [Czech]

UNII-Y495J99R5D

AI3-06122

iso-butyl iso-butyrate

2-Methylpropanoic acid 2-methylpropyl ester

SCHEMBL41548

4-02-00-00847 (Beilstein Handbook Reference)

Isobutyl isobutyrate [UN2528] [Flammable liquid]

Isobutyric Acid Isobutyl Ester

Isobutyl isobutyrate, >=97%

Isobutyl isobutyrate, >=98%

DTXCID906612

CHEMBL3188433

FEMA 2189

ISOBUTYL ISOBUTYRATE [MI]

NSC6538

CHEBI:179934

ISOBUTYL ISOBUTYRATE [FHFI]

Tox21_201573

LMFA07010566

MFCD00008916

ISOBUTYL ISOBUTYRATE [USP-RS]

AKOS015837515

Isobutyl isobutyrate, natural, >=97%

MCULE-3562975466

UN 2528

CAS-97-85-8

NCGC00249072-01

NCGC00259122-01

2-METHYLPROPYL ISOBUTYRATE [HSDB]

WLN: 1Y1 & VO1Y1 & 1

2-METHYLPROPIONIC ACID ISOBUTYL ESTER

I0316

NS00009910

Isobutyl isobutyrate [UN2528] [Flammable liquid]

Q26841351

InChI=1/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H

Isobutyl isobutyrate, United States Pharmacopeia (USP) Reference Standard

Based upon a water solubility of 1000 mg/L(1) and a vapor pressure of 4.33 mm Hg at 25 deg C(2), the Henry's Law constant for 2-methylpropyl isobutyrate can be estimated to be 8.22X10-4 atm cu m/mole; a Henry's Law constant of this magnitude indicates that volatilization from environmental waters is important, but may not be rapid(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated to be about 4.8 hours(3,SRC). The volatilization half-life from a model environmental pond (2 meters deep) can be estimated to be about 3 days(4,SRC). 2-Methylpropyl isobutyrate has a relatively high vapor pressure(2) which suggests that evaporation from dry surfaces will occur(SRC).
Literature: (1) Flick EW; Industrial Solvents Handbook 4th ed. Park Ridge NJ: Noyes Data Corp p. 815 (1991) (2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation NY: Hemisphere Pub Corp (1989) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods Washington, DC: Amer Chem Soc pp. 15-15 to 15-29 (1990) (4) USEPA; EXAMS II Computer Simulation (1987)

Based upon a water solubility of 1000 mg/L at 20 deg C(1), the Koc for 2-methylpropyl isobutyrate can be estimated to be 98 from a linear regression-derived equation(2,SRC). This Koc estimation indicates high soil mobility(3).
Literature: (1) Flick EW; Industrial Solvents Handbook 4th ed. Park Ridge NJ: Noyes Data Corp p. 815 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods Washington, DC: Amer Chem Soc p. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)

Iso-Butyl-2-Methylbutyrate

2445-67-2

Isobutyl 2-methylbutyrate

2-methylpropyl 2-methylbutanoate

Isobutyl 2-methylbutanoate

Butanoic acid, 2-methyl-, 2-methylpropyl ester

Butyric acid, 2-methyl-, isobutyl ester

88RJ33L6G3

WE(3:0(2Me)/4:0(2Me))

2-methylpropyl 2-methylbutyrate

ISOBUTYL-2-METHYLBUTYRATE

EINECS 219-492-5

AI3-33627

Isobutyl 2-methyIbutyrate

isobutyl 2-methyl butyrate

iso-Butyl 2-methyl butyrate

MEFEXAMIDEHYDROCHLORIDE

ISOBUTYL METHYLBUTYRATE

UNII-88RJ33L6G3

BUTANOIC ACID,2-METHYL-, 2-METHYLPROPYL ESTER

SCHEMBL1171356

DTXSID20862945

CHEBI:179887

2-Methyl-1-propyl 2-methylbutyrate

LMFA07010568

AKOS006242617

DB-003689

2-Methylbutanoic acid 2-methyl propyl ester

CS-0450078

ISOBUTYL 2-METHYLBUTYRATE, (+/-)-

NS00012684

E79267

Isoamyl isobutyrate

Isopentyl isobutyrate

2050-01-3

3-Methylbutyl 2-methylpropanoate

Propanoic acid, 2-methyl-, 3-methylbutyl ester

3-Methylbutyl isobutyrate

Isobutyric acid, isopentyl ester

Isoamyl 2-methylpropanoate

Isoamyl isobutanoate

Isopentyl 2-methylpropanoate

3-Methyl-1-butyl isobutyrate

Isopentyl alcohol, isobutyrate

Isopentyl isobutanoate

RF0ZT103EG

FEMA No. 3507

3-Methylbutyl 2-methylpropionate

Isobutyric Acid Isoamyl Ester

WE(4:0(3Me)/3:0(2Me))

iso-Amyl iso-butyrate

Iso Amyl Iso Butyrate

UNII-RF0ZT103EG

SCHEMBL351059

Isopentyl 2-methylpropanoate #

DTXSID0062131

CHEBI:87537

FEMA 3507

ISOAMYL ISOBUTYRATE [FCC]

Isoamyl isobutyrate, >=98%, FG

CAA05001

EINECS 218-078-1

LMFA07010572

MFCD00053719

AKOS015907978

MCULE-3390836356

Isoamyl isobutyrate, natural, 98%, FG

AS-14782

2-methylpropanoic acid 3-methylbutyl ester

3-Methylbutyl 2-methylpropanoate (natural)

AI3-33583

CS-0128834

I0676

NS00046456

E81487

3-METHYLBUTYL 2-METHYLPROPANOATE [FHFI]

A814610

Q27159709

Z212702362

InChI=1/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H

alpha-Chamigrene

19912-83-5

C09635

(6R)-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-diene

AC1L9CNK

CHEBI:10220

(6R)-3,7,11,11-tetramethylspiro[5.5]undeca-3,7-diene

DTXSID40331805

SPIRO[5.5]UNDECA-1,8-DIENE,1,

Q27108602

alpha-Panasinsene

(-)-.alpha.-Panasinsen

a-Panasinsene

alpha-Panasinsanene

.alpha.-Panasinsanene

Panasinsene, .alpha.-

(-)-.alpha.-Panasinsene

WHXUZXDWQKUIJL-UHFFFAOYSA-N

Q67879679

1,2,2a,3,4,4a,5,6-Octahydro-2,2,4a,8-tetramethylcyclobut[c]indene, 9CI

2,2,4a,8-Tetramethyl-1,2,2a,3,4,4a,5,6-octahydrocyclobuta[c]indene #

2,2,4a,8-tetramethyl-1H,2H,3H,4H,4aH,5H,6H,8bH-cyclobuta[d]indene

(2aR,4aS,8aR)-2,2,4a,8-Tetramethyl-1,2,2a,3,4,4a,5,6-octahydrocyclobuta[c]indene

(+)-Aristolochene

aristolochene

123408-96-8

Aristolochene, (+)-

(1S,7S,8aR)-aristolochene

459BG6ZY5H

UNII-459BG6ZY5H

(4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

(1S,7S,8aR)-1,2,3,4,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylethenyl)naphthalene

Naphthalene, 1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S,7S,8aR)-

(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene 7betaH-eremophila-9,11-diene

Naphthalene, 1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1S-(1alpha,7beta,8aalpha))-

4,5-di-epi-Aristoloshene

7betaH-eremophila-9,11-diene

CHEBI:43445

DTXSID90349637

YONHOSLUBQJXPR-KCQAQPDRSA-N

LMPR0103270003

C02004

Q3622703

(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene

NAPHTHALENE, 1,2,3,4,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1S-(1.ALPHA.,7.BETA.,8A.ALPHA.))-

BETA-ELEMENE

515-13-9

(-)-beta-Elemene

beta-Elemen

Levo-beta-elemene

(1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane

Elemene

2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane

b-elemene

beta-Elemene, (-)-

CHEBI:62855

Levo-b-elemene

UNII-2QG8CX6LXD

2QG8CX6LXD

(-)-b-Elemene

(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane

33880-83-0

(1S,2S,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane

(1S,2S,4R)-(-)-1-methyl-1-vinyl-2,4-diisopropenylcyclohexane

ELEMENE, (-)-BETA-

Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2S,4R)-

(+/-)-beta-Elemene

(1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane

Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S-(1-alpha,2-beta,4-beta))-

.beta.-Elemene

1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-cyclohexane

Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2S,4R)-

EINECS 251-713-0

(-)-.beta.-Elemene

b-Elemen

(-)-bete-elemene

E- .beta.-Elemene

Beta elemene [WHO-DD]

Epitope ID:153551

Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-

(1S,2S,4R)-beta-elemene

Levo-b-elemene(-)-b-Elemene

CHEMBL448502

CHEBI:62854

DTXSID40865690

DTXSID60881211

SDP-111

Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1alpha,2beta,4beta)-

OPFTUNCRGUEPRZ-QLFBSQMISA-N

?-Elemene (10mg/ml in ethanol)

ELEMENE, (-)-.BETA.-

s6957

AKOS028108977

(-)-beta-Elemene, analytical standard

AS-82909

HY-107324

CS-0028143

NS00096333

C17094

E79113

EN300-1709739

Q27132237

rel-(1S,2S,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane

rel-(1S,2S,4R)-1-methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane

(1alpha,2beta,4beta)-1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane

Valencene

(+)-Valencene

4630-07-3

Valencen

(3R,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene

FEMA No. 3443

DTXSID8047052

CHEBI:61700

96H21P91IG

Valencene (natural)

ent-7betaH-eremophila-10(1),11-diene

(+)-Valencene 1000 microg/mL in Isopropanol

(1R-(1alpha,7beta,8alpha))-1,2,3,5,6,7,8,8a-Octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene

Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-

NSC-148969

(3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene

(A+/-)-valencene

4.beta.H,5.alpha.-Eremophila-1(10),11-diene

VALENCENE [FHFI]

VALENCENE [INCI]

(+)-Valencene, tech grade

Valencene (Technical Grade)

UNII-96H21P91IG

Valencene, natural, >=65%

CHEMBL3186909

DTXCID6027052

(+)-Valencene, analytical standard

HY-N6636

NAPHTHALENE, 1,2,3,5,6,7,8,8A-OCTAHYDRO-1,8A-DIMETHYL-7-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,7.BETA.,8A.ALPHA.))-

EINECS 225-047-6

Tox21_302397

MFCD00075884

(+)-Valencene, technical, >=70%

AKOS027460688

NSC 148969

NCGC00256249-01

MS-23110

CAS-4630-07-3

4Betah,5alpha-eremophila-1(10),11-diene

CS-0044199

C17277

F71379

Q289496

4alpha,10alpha-Dimethyl-6beta-isopropyl-delta1,9-octalin

4alpha,10alpha-Dimethyl-6beta-isopropyl-.DELTA.1,9-octalin

(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene

1,2,3,5,6,7,8,8a-Octahydro-1,8A-dimethyl-7-(1-methylethenyl)naphthalene, (1R-(1alpha,7beta,8aalpha))-

Naphthalene, 1,2,3,5,6,7,8,8A-octahydro-1,8A-dimethyl-7-(1-methylethenyl)-, (1R-(1alpha,7beta,8aalpha))-

ALPHA-SELINENE

473-13-2

Eudesma-3,11-diene

alpha-Selinine

UNII-99ZHA8F274

99ZHA8F274

SELINA-3,11-DIENE

(2R,4aR,8aR)-4a,8-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene

(2R-(2alpha,4aalpha,8abeta))-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-2-(1-methylethenyl)naphthalene

CHEBI:59961

(3R,4aR,8aR)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene

2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, (2R-(2alpha,4aalpha,8abeta))-

(-)-alpha-Selinene

alpha-celinene

Selina-4,11-diene

a-Selinine, >85%

alpha-SELINENE, (-)-

(-)-.ALPHA.-SELINENE

DTXSID50963792

.ALPHA.-SELINENE, (-)-

XS174882

C22044

Q7448480

(2R-(2.ALPHA.,4A.ALPHA.,8A.BETA.))-1,2,3,4,4A,5,6,8A-OCTAHYDRO-4A,8-DIMETHYL-2-(1-METHYLETHENYL)NAPHTHALENE

NAPHTHALENE, 1,2,3,4,4A,5,6,8A-OCTAHYDRO-4A,8-DIMETHYL-2-(1-METHYLETHENYL)-, (2R,4AR,8AR)-