isoamylbutyrate

ISOPENTYL BUTANOATE

PQLMXFQTAMDXIZ-UHFFFAOYSA-N

Isopentyl butyrate

Isoamyl butanoate

Butyric acid isoamylester

3-methylbutylbutanoat

Isoamyl butyrate

Isoamyl butylate

Nat.isoamyl Butyrate

Butyric acid isoamyl

Isopentyl-n-butyrate

butyric acid isopentyl ester

Isoamyl butyrate, analytical standard

Isoamyl n-Butyrate

Isoamyl-n-butyrate

iso amyl butanoate

Isopentyl alcohol, butyrate

3-Methylbutyl butanoate

Iso Amyl Butyrate Natural

Iso-amyl butyrate

AC1L1PKF

Butyric Acid Isoamyl Ester

3-Methylbutyl butyrate

butanoic acid 3-methylbutyl ester

iso-Amyl n-butyrate

3-Methylbutyl n-butyrate

Butyric acid, isopentyl ester

ACMC-1BO1Y

Isoamyl butyrate (natural)

KSC176S3H

AC1Q66J8

NSC6548

1413AA

CTK0H6933

B0760

Butanoic acid, 3-methylbutyl ester

505AFM77VU

SCHEMBL112594

3-Methyl-1-butyl butanoate

CCRIS 6556

UNII-505AFM77VU

DTXSID3042059

SBB061109

OR198515

OR034318

NSC-6548

NSC 6548

LS-2364

CHEMBL3187370

Jsp000574

AK114198

A801410

ZINC1693597

CHEBI:87422

ANW-15326

AN-22421

EBD2210699

CJ-28358

AJ-30211

DSSTox_GSID_42059

CJ-06553

KB-52712

DSSTox_CID_22059

DSSTox_RID_79909

MFCD00044888

LMFA07010574

ZINC01693597

ST24030796

KB-254449

RTR-001242

ST50824694

TR-001242

AI3-06126

ACM51115641

I14-2591

AKOS015907968

FT-0627328

FEMA No. 2060

BRN 1702557

Tox21_300384

NSC 6548 (Related)

106-27-4

Isoamyl butyrate, >=98%, FCC, FG

NCGC00254545-01

NCGC00248015-01

MCULE-8558213018

EINECS 203-380-8

CAS-106-27-4

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

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

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

OPFTUNCRGUEPRZ-QLFBSQMISA-N

AC1OCFDE

beta-Elemen

BETA-ELEMENE

Levo-beta-elemene

2QG8CX6LXD

UNII-2QG8CX6LXD

8064AH

SDP-111

CHEMBL448502

C17094

CHEBI:62855

ZINC14096289

E- .beta.-Elemene

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

(-)-beta-Elemene

Epitope ID:153551

AKOS028108977

(-)-beta-Elemene, analytical standard

515-13-9

beta-Elemene, (-)-

33880-83-0

20296-36-0

11033-44-6

154028-29-2

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

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

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

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

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

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

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

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

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

alpha-Chamigrene

AC1L9CNK

C09635

OR238946

CHEBI:10220

DTXSID40331805

19912-83-5

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

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

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

OZQAPQSEYFAMCY-UHFFFAOYSA-N

AC1L1UJH

epi-a-Selinene

AC1Q29Z4

3,11-Eudesmadiene

CTK4I9844

OR050748

OR089935

OR272495

7-epi-.alpha.-Selinene

7-epi--.alpha.-selinene

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

Naphthalene, 3,4,4a,5,6,7,8,8a-octahydro-7-isopropylene-1,4a-dimethyl-

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

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

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

Valencene

Valencen

Valencene (natural)

Valencene, 80%

V0117

C17277

96H21P91IG

CHEMBL3186909

Valencene, natural, >=65%

OR020766

DTXSID8047052

AK542447

ZINC1734352

CHEBI:61700

(+)-Valencene

UNII-96H21P91IG

DSSTox_GSID_47052

CJ-29510

DSSTox_RID_82070

MFCD00075884

ZINC01734352

DSSTox_CID_27052

C-54644

(+)-Valencene, analytical standard

NSC 148969

AKOS027460688

FEMA No. 3443

Tox21_302397

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

Ambap4630-07-3

4630-07-3

NCGC00256249-01

EINECS 225-047-6

20479-02-1

CAS-4630-07-3

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

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

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

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

4betaH,5alpha-Eremophila-1(10),11-diene (8CI)

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

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

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

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

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

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

Isopentylisobutyrate

Isopentyl isobutanoate

Isopentyl isobutyrate

Isoamyl isobutyrate

Isoamyl isobutanoate

VFTGLSWXJMRZNB-UHFFFAOYSA-N

Isobutyric acid isoamyl

Isopentyl 2-methylpropanoate

Isoamyl 2-methylpropanoate

Isobutyric Acid Isoamyl Ester

3-Methylbutyl isobutyrate

Isopentyl alcohol, isobutyrate

AC1LAT2Q

Isopentyl 2-methylpropanoate #

Isobutyric acid, isopentyl ester

iso-Amyl iso-butyrate

3-Methylbutyl 2-methylpropanoate

3-Methylbutyl 2-methylpropionate

RF0ZT103EG

M579

KSC492K9F

UNII-RF0ZT103EG

iso amyl 2-methyl propanoate

2-methylpropanoic acid 3-methylbutyl ester

I0676

CTK3J2592

SCHEMBL351059

3-Methyl-1-butyl isobutyrate

3-Methylbutyl 2-methylpropanoate (natural)

DTXSID0062131

OR011176

OR191435

ZINC2515951

ACMC-20979f

A814610

CHEBI:87537

Isoamyl isobutyrate, >=98%, FG

ANW-13681

CJ-08714

CC-29664

LMFA07010572

C-34514

MFCD00053719

ZINC02515951

ST50824699

AI3-33583

RT-000793

I14-2592

AKOS015907978

FEMA No. 3507

FT-0627322

2050-01-3

MCULE-3390836356

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

EINECS 218-078-1

MolPort-003-960-132

Isoamyl isobutyrate, natural, 98%, 70% isoamyl isobutyrate basis, FG

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

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

Isobutylisobutyrate

Isobutylester kyseliny isomaselne

Isobutyl isobutanoate

2-methylpropylisobutyrate

Isobutyl isobutyrate

RXGUIWHIADMCFC-UHFFFAOYSA-N

Isobutyl Isobutyrate Reagent Grade

Isobutyric acid isobutyl

Isobutyl 2-methylpropanoate

2-METHYLPROPYL ISOBUTYRATE

Isobutyric Acid Isobutyl Ester

AC1L1OKA

2-Methylpropyl 2-methylpropanoate

Isobutylester kyseliny isomaselne [Czech]

2-Methylpropyl 2-methylpropionate

Isobutyl isobutyrate (natural)

Isobutyric acid, isobutyl ester

iso-butyl iso-butyrate

AC1Q62SL

Isobutyl isobutyrate, >=98%

Isobutyl ester of 2-methylpropanoic acid

Isobutyl isobutyrate, >=97%

KSC486S2D

UN2528

NSC6538

SCHEMBL41548

CTK3I6921

I0316

EBD37433

Isobutyl isobutyrate, United States Pharmacopeia (USP) Reference Standard

RL06097

ZINC391110

Isobutyl isobutyrate, natural, >=97%

HSDB 5311

Y495J99R5D

SBB061112

OR381855

OR001002

UN 2528

NSC-6538

NSC 6538

ZB011952

DTXSID6026612

FEMA Number 2189

CHEMBL3188433

2-Methyl-1-propyl 2-methylpropanoate

UNII-Y495J99R5D

ACMC-209s95

DSSTox_CID_6612

ANW-40887

AN-24466

DSSTox_GSID_26612

CJ-03470

LS-84403

DSSTox_RID_78163

ZINC00391110

MFCD00008916

LMFA07010566

ACN-S002415

AI3-06122

TR-033122

KB-173823

RTR-033122

ST50823923

AKOS015837515

I14-5875

BRN 1701355

FEMA No. 2189

FT-0627346

97-85-8

Isobutyl isobutyrate, 98% 250ml

Tox21_201573

CAS-97-85-8

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

Isobutyl isobutyrate [UN2528] [Flammable liquid]

NCGC00259122-01

NCGC00249072-01

MCULE-3562975466

EINECS 202-612-5

Isobutyl isobutyrate [UN2528] [Flammable liquid]

MolPort-001-785-832

WLN: 1Y1 & VO1Y1 & 1

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

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

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

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)

p-Isopropylmethylbenzene

p-Methylisopropylbenzene

4-Methylisopropylbenzene

Paracymene

Paramethyl-isopropyl-benzene

Camphogen

Dolcymene

HFPZCAJZSCWRBC-UHFFFAOYSA-N

p-Isopropyltoluene

Paracymol

CYMENE

P- Isopropylmethylbenzene

4-Isopropyltoluene

4-Isopropyltoluene|

Cymol

p-Methylcumene

PARACYMENE PF

4-Isopropylbenzyl radical

4-Isopropyltoluol

4-methyl isopropylbenzene

MML

p-Isopropyltoluene, analytical standard

para cymene

Para-cymene

AC1L1OTG

AC1MR1RS

p-Cimene

P-CYMENE

p-Cymol

4-iso-Propyltoluene

p-methyl cumene

p-methyl-Cumene

4-Cymene

4-methyl isopropyl benzene

2-p-Tolylpropane

4-Cymol

p-Cymene, analytical standard

1-Isopropyl-4-methylbenzene

1-Methyl-4-isopropylbenzene

4-Isopropyl-1-methylbenzene

4-Methyl-1-isopropylbenzene

KSC555A9F

ACMC-209sea

NSC4162

1G1C8T1N7Q

CTK4F5092

HMDB05805

S0664

1-isopropyl-4-methyl-Benzene

1-Methyl-4-isopropyl benzene

CHEMBL442915

Cymene, p-

UNII-830CI19HHD component HFPZCAJZSCWRBC-UHFFFAOYSA-N

Benzene,methyl(1-methylethyl)-

bmse000503

C06575

Cumene, p-methyl-

HSDB 5128

UNII-1G1C8T1N7Q

ZINC968246

AK105981

BT000135

DTXSID3026645

LS-2649

NSC 4162

NSC-4162

OR034341

OR109743

OR240709

SBB060399

ZB015527

4-methyl-1-(methylethyl)benzene

CHEBI:28768

DSSTox_CID_6645

Methyl-4-(1-methylethyl)benzene

p-Cymene, 99%

AJ-24581

AN-24528

ANW-41072

CJ-04640

DSSTox_GSID_26645

DSSTox_RID_78172

MFCD00008893

ZINC00968246

AI3-02272

KB-192943

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

ST51046586

TR-030492

1-methyl-4-propan-2-ylbenzene

AKOS000121521

benzene, 1-methyl-4-methylethyl-

W-100013

Benzene, 1-isopropyl-4-methyl-

FEMA No. 2356

FT-0689324

1-(1-methylethyl)-4-methylbenzene

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

99-87-6

I14-20073

LMPR0102090014

p-Cymene, >=97%, FG

Tox21_201932

Tox21_300338

F8889-6466

p-Mentha-1,3,5-triene

CAS-99-87-6

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

4939-75-7

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

MCULE-1794861612

NCGC00247998-01

NCGC00247998-02

NCGC00254425-01

NCGC00259481-01

EINECS 202-796-7

WLN: 1Y1 & R D1

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

25155-15-1

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

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

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

MolPort-003-929-568

p-Cymene [UN2046] [Flammable liquid]

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

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

p-Cymene [UN2046] [Flammable liquid]

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

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

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

NWZQCEQAPBRMFX-UHFFFAOYSA-N

Isobutyl 2-methylbutyrate

Isobutyl 2-methylbutanoate

Isobutyl 2-methyIbutyrate

AC1L2TMG

2-Methylbutyric acid isobutyl ester

2-methylpropyl 2-methylbutanoate

Isobutyl 2 Methyl Butyrate

Iso-Butyl-2-Methylbutyrate

AC1Q62SO

KSC493K7H

iso-Butyl 2-methyl butyrate

CTK3J3573

88RJ33L6G3

OR031647

OR247020

OR247021

SCHEMBL1171356

2-Methylbutanoic acid 2-methyl propyl ester

UNII-88RJ33L6G3

2-Methyl-1-propyl 2-methylbutyrate

ACM2445672

KB-52740

C-55488

LMFA07010568

DB-003689

RT-001549

AI3-33627

AKOS006242617

FT-0627367

Butyric acid, 2-methyl-, isobutyl ester

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

2445-67-2

EINECS 219-492-5

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

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

MIHQWNKDHBLQEZ-UHFFFAOYSA-N

t-butylcresol

CTK4G3773

MB23341

SCHEMBL224736

3-TERT-BUTYL-2-METHYLPHENOL

Phenol,(1,1-dimethylethyl)methyl-

29759-28-2

alpha-Panasinsene

WHXUZXDWQKUIJL-UHFFFAOYSA-N

AC1LB9PR

.alpha.-Panasinsanene

CTK6B3075

Panasinsene, .alpha.-

(-)-.alpha.-Panasinsene

(-)-.alpha.-Panasinsen

2,2,4a,8-tetramethyl-1,2a,3,4,5,6-hexahydrocyclobuta[i]indene

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

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

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

Patchoulene

CSKINCSXMLCMAR-UHFFFAOYSA-N

beta-Patchoulene

AC1L2RFK

AC1Q29ZQ

.beta.-Patchoulene

PL003444

EINECS 208-182-5

1,4,9,9-tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene

1,5,11,11-TETRAMETHYLTRICYCLO[6.2.1.0(2),?]UNDEC-2(6)-ENE

1,5,11,11-tetramethyltricyclo[6.2.1.0;{2,6}]undec-2(6)-ene

4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-

(1S-(1alpha,4alpha,7alpha))-1,2,3,4,5,6,7,8-Octahydro-1,4,9,9-tetramethyl-4,7-methanoazulene

(1S,4S,7R)-1,4,9,9-Tetramethyl-1,2,3,4,5,6,7,8-octahydro-4,7-methanoazulene

4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, (1S,4R,7R)-

4,7-Methanoazulene, 1,2,3,4,5,6,7,8-octahydro-1,4,9,9-tetramethyl-, [1S-(1.alpha.,4.alpha.,7.alpha.)]-