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CAS

Formula

Diisobutylaluminium hydride

CAS1191-15-7

FormulaC8H19Al

SynonymDIBAH, Bis (isobutyl) hydroaluminum, Diisobutyl hydroaluminum, Diisobutylaluminum hydride, DIBAL-H, Hydrobis (2-methylpropyl) aluminum Hydrodiisobutylaluminum

Molecular weight142.22

InChI1S/2C4H9.Al.H/c2*1-4(2)3;;/h2*4H,1H2,2-3H3;;

n-Heptadecane

CAS629-78-7

FormulaC17H36

SynonymNormal-heptadecane, Alkane C17, Heptadecane, n-Heptadecane

Molecular weight240.47

InChI1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

(2-Methoxyphenyl)methanol

CAS612-16-8

FormulaC8H10O2

Synonym2-Methoxybenzyl alcohol, o-Anisyl alcohol, Benzenemethanol, 2-methoxy-, o-Methoxybenzyl alcohol, 2-Methoxybenzenemethanol

Molecular weight138.16

InChI1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3

Synonym1-Hexadecen-3-ol,3,7,11,15-tetramethyl-, 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl-, AI3-25090, HSDB 5673, 3,7,11,15-Tetramethyl-1-hexadecen-3-ol, NSC 93744, Isovegetablealcohol, 3,7,11,15-tetramethyl-1-hexadecen-3-o, EC 208-008-8, 2,6,10,14-Tetramethylhexadec-15-en-14-ol, Isophytol, 2,6,10-trimethyl-14-vinylpentadecan-14-ol, EINECS 208-008-8, UNII-A831ZI6VIM, 3,7,11,15-Tetramethylhexadec-1-en-3-ol, Hexadec-1-en-3-ol, 3,7,11,15-tetramethyl-, 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl- (VAN) (8CI)(9CI), 1-Hexadecene-3-ol, 3,7,11,15-tetramethyl

Molecular weight296.53

EINECS208-008-8

SMILESC(CCCC(CCCC(CCCC(C)C)C)C)(C=C)(C)O

InChI1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3

Atmospheric OH Rate Constant5.16E-11 cm3/molecule-sec

log P (octanol-water)8.230

Melting Point< 25 ° C

Refractive Index1.457

Water solubilityPractically insoluble

BRN Number1783243

Flash Point>230 °F

Merck14,5198

Density0.841 g/mL at 25 °C

StabilityStable. Incompatible with strong oxidizing agents.

Boiling Point309 °C

Isopropyl phenylacetate

CAS4861-85-2

FormulaC11H14O2

SynonymIsopropylphenylacetate,98%, Isopropyl a-toluate, Phenylacetic acid, isopropyl ester, FEMA 2956, 1-Methyl ethyl benzene acetate, ISOPROPYL PHENYLACETATE, Benzene acetic acid 1-methyl ethyl ester, ISOPROPYLYPHENYL ACETATE, Phenyl acetic acid isopropyl ester, benzeneaceticacid,1-methylethylester, ISOPROPYL PHENYLACETATE 99+%, Benzeneacetic acid 1-methylethyl ester

Molecular weight178.23

EINECS225-468-5

SMILESc1(ccccc1)CC(=O)OC(C)C

InChI1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

6-Methyl-1,2,3,4-tetrahydroquinoline

CAS91-61-2

FormulaC10H13N

SynonymP-METHYLTETRAHYDROQUINOLINE, EINECS 202-083-0, AI3-36188, QUINOLINE, 1,2,3,4-TETRAHYDRO-6-METHYL, UNII-0I67838Y8K, Tetrahydro p-methyl quinoline, Civettal, 1,2,3,4-tetrahydro-6-methyl-quinolin, TETRAHYDRO PARA METHYL QUINOLINE, Quinoline, 1,2,3,4-tetrahydro-6-methyl-, NSC 65606, 1,2,3,4-Tetrahydro-6-methylquinoline, AKOS B016030, 6-Methyl-1,2,3,4-tetrahydroquinoline

Molecular weight147.22

EINECS202-083-0

SMILESCc1ccc2c(c1)CCCN2

InChI1S/C10H13N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h4-5,7,11H,2-3,6H2,1H3

Water solubilityInsoluble in water.

Flash Point262-263°C/712mm

BRN Number122515

Boiling Point262-263°C 712mm

Melting Point36-38°C

1-[(5,6,7,8-Tetrahydronaphthalene)-2-yl]ethanone

CAS774-55-0

FormulaC12H14O

SynonymEthanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-, 1-(5,6,7,8-Tetrahydro-2-naphthyl) ethan-1-one, 1-(5,6,7,8-tetrahydro-2-naphthyl)ethan-1-one, Florantone T, 6-Acetyl tetralin, Acetyl tetralin

Molecular weight174.24

InChI1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3

(2,2-Dichloro-1-methylcyclopropyl)benzene

CAS3591-42-2

FormulaC10H10Cl2

SynonymBenzene, (2,2-dichloro-1-methylcyclopropyl)-, 2,2-Dichloro-1-methylcyclopropyl benzene, (2,2-Dichloro-1-methylcyclopropyl)benzene

Molecular weight201.09

InChI1S/C10H10Cl2/c1-9(7-10(9,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3

2,5-Dimethyl-3-hexyne-2,5-diol

CAS142-30-3

FormulaC8H14O2

SynonymDimethyl hexynediol, Dimethylhexynediol, D 43, 2,5-Dihydroxy-2,5-dimethyl-3-hexyne, 2,5-dimethylhexyne-2,5-diol, Tetramethylbutynediol, 2,5-Dimethyl-2,5-dihydroxy-3-hexyne, 2,5-Dimethyl-3-hexyne-2,5-diol, Kemitracin-50

Molecular weight142.20

InChI1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3

Water solubility1.67E+04 mg/L

Atmospheric OH Rate Constant2.93E-11 cm3/molecule-sec

log P (octanol-water)0.810

Vapor Pressure9.81E-03 mm Hg

Henry's Law Constant4.47E-08 atm-m3/mole

Boiling Point205 ° C

Melting Point95 ° C

Cinnamonitrile

CAS4360-47-8

FormulaC9H7N

SynonymAI3-28397, 0-09-00-00589 (Beilstein Handbook Reference), 3-Phenyl-2-propenenitrile, Styryl cyanide, 1-cyano-2-phenylethene, Cinnamalva, 2-Propenenitrile, 3-phenyl-, beta-Cyanostyrene, b-Phenylacrylonitrile, 3-Phenylacrylonitrile, NSC 42118, NSC 49137, EINECS 224-441-5, Cinnamonitrile, 3-Phenyl-2-propenenitrile 2-Propenenitrile, 3-phenyl-, 1-Cyano-2-phenylethylene, Acrylonitrile, 3-phenyl-, Ceylanyle, BRN 1209545, Cinnamyl nitrile, beta-Phenylacrylonitrile

Molecular weight129.16

SMILESN#C\C=C\c1ccccc1

InChI1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H

Nonane

CAS111-84-2

FormulaC9H20

Synonymn-C9H20, n-Nonane, UN 1920, Nonane, Shellsol 140

Molecular weight128.26

InChI1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3

Benzonitrile

CAS100-47-0

FormulaC7H5N

SynonymUN 2224, Benzenenitrile, Fenylkyanid, phenyl cyanide, cyanobenzene, Benzoic acid nitrile, Benzene, cyano-, Benzonitrile

Molecular weight103.12

InChI1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H

Melting Point-1.27E+01 ° C

log P (octanol-water)1.56

Atmospheric OH Rate Constant3.30E-13 cm3/molecule-sec

Boiling Point191.1 ° C

Water solubility2000 mg/L

Henry's Law Constant5.21E-05 atm-m3/mole

Vapor Pressure0.768 mm Hg

Cyclopentadecanone

CAS502-72-7

FormulaC15H28O

SynonymCYCLOPENTADECANONE, MUSK 15, Exaltone, Exaltone~Normuscone, Normuscone, OXOCYCLOPENTADECANE, Normuscon, CYCLOPENTADECONE

Molecular weight224.38

EINECS207-951-2

InChI1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2

Density0.897 g/mL at 25 °C

Boiling Point120 °C0.3 mm Hg

BRN Number1618444

Flash Point120°C/0.3mm

Melting Point63-65 °C

Butyrophenone

CAS495-40-9

FormulaC10H12O

Synonym1-Phenyl butan-1-one, Propyl phenyl ketone, 1-phenyl-1-butanon, Butanoyl benzene, Butyrylbenzene, 1-Butanone,1-phenyl-, n-Butyrophenone, 1-PHENYL-1-BUTANONE, 1-phenyl-butan-1-one, 1-Phenylbutan-1-one, BUTYROPHENONE, Phenyl propyl ketone, 1-Butanone, 1-phenyl-

Molecular weight148.20

EINECS207-799-7

InChI1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

Refractive Index1.520

Flash Point192 °F

StabilityStable. Combustible. Incompatible with strong oxidizing agents.

Density1.021 g/mL at 25 °C

Boiling Point228-230 °C

Water solubilityInsoluble in water.

Melting Point11-13 °C

BRN Number508305

(Methoxymethyl)benzene

CAS538-86-3

FormulaC8H10O

SynonymMethylbenzylether, Benzene, (methoxymethyl)-, Benzyl methyl ether, 1-(METHOXYMETHYL)BENZENE, (Methoxymethyl)-benzene, Methyl benzyl ether, (Methoxymethyl) benzene, Ether, benzyl methyl, a-Methoxytoluene, (METHOXYMETHYL)BENZENE, a-Methoxytoluene, ALPHA-METHOXYTOLUENE, Methyl benzyl ether a-Methylbenzyl ether, (methoxymethyl)-benzen, a-Methylbenzyl ether

Molecular weight122.16

EINECS208-705-7

InChI1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

Storage TemperatureFlammables area

Melting Point-52.6 °C

Refractive Index1.502

Water solubilitypractically insoluble

Flash Point53 °C

Boiling Point174 °C

Density0.987 g/mL at 25 °C

Merck14,1140

Ethyl nicotinoate

CAS614-18-6

FormulaC8H9NO2

Synonymß-Pyridinecarboxylic acid ethyl ester, ethyl nicotinoate, Ethyl 3-pyridinecarboxylate, beta-Pyridinecarboxylic acid ethyl ester, ETHYL PYRIDINE-3-CARBOXYLATE, Mucotherm, Ignocut, Picolinic acid ethyl ester 3-Pyridinecarboxylic acid, ethyl ester, EINECS 210-370-7, Nikethan, 3-Pyridinecarboxylic acid, ethyl ester, 3-Carbethoxypyridine, RARECHEM AL BI 0185, Ignicut, Ethyl-nicotinate, Nicotinic acid, ethyl ester (8CI), 3-(Ethoxycarbonyl)pyridine, Nicaethan, 3-(Ethoxycarbonyl) pyridine, Nicotinic acid, ethyl ester, 3-PYRIDINECARBOXYLIC ACID ETHYL ESTER, Ethyl nicotinate, AI3-02579, NSC 8872, NICOTINIC ACID ETHYL ESTER, UNII-NIJ3H353YH, Nicotinic acid,ethyl ester, b-Pyridinecarboxylic acid, ethyl ester, Nikithan, Ba 2673

Density1.107 g/mL at 25 °C

Water solubilitymiscible

Storage Temperature2-8°C

Colorlight yellow

Melting Point8-10 °C

Flash Point93 °C

Molecular weight151.16

SMILESO=C(OCC)c1cccnc1

InChI1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3

Atmospheric OH Rate Constant1.78E-12 cm3/molecule-sec

Boiling Point224 ° C

Vapor Pressure0.084 mm Hg

Water solubility5.60E+04 mg/L

log P (octanol-water)1.32

Henry's Law Constant6.03E-08 atm-m3/mole

Melting Point8.5 ° C

pKa Dissociation Constant3.35

BRN Number122937

Refractive Index1.504

Boiling Point223224°C

EINECS210-370-7

Saccharin

CAS81-07-2

FormulaC7H5NO3S

Synonym1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, o-Sulfobenzoic acid imide, Sacarina, Gluside, o-Benzosulphimide, 1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one, Benzoic sulfimide, o-Benzosulfimide 2,3-Dihydroxy-1,2-benzothiazolin-3-one-1,1-dioxide, Saccharin acid, Sykose, SYNCAL (R) SDI, o-Benzoic acid sulfimide, Kandiset, 2-Sulphobenzoic imide, Benzoic sulphimide, Sucre edulcor, Glucid, Saccharinol, Benzosulphimide, Zaharina, 1,1-Dioxide-1,2-benzisothiazol-3(2H)-one, Insoluble saccharin, o-Sulfobenzimide, o-Benzoyl sulfimide, Sweeta, 1,2-Benzisothiazoline-3-one 1,1-dioxide, 550 Saccharine, o-Benzosulfimide, Benzisosulfonazole, 2,3-dihydro-3-oxo-, 1,2-Benzisothiazolin-3-one, 1,1-dioxide, SACCHARIN 550X, Sucrette, Benzosulfimide, Saxin, Saccharin, insoluble, 2-Sulfobenzoic imide, 2-Sulfobenzoic acid imide, 1,2-Benzisothiazolin-3-one-1,1-dioxide, Anhydro-o-sulfaminebenzoic acid, SACCHARINE INSOLUBLE, 1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole, o-Benzoic sulfimide, 1,1-Diox-1,2-benzisothiazol-3-one, Saccharinose, Benzosulfinide, 2,3-Dihydro-3-oxobenzisosulphonazole, Syncal, SACCHARINE, Sacharin, 1,1-Dioxo-1,2-benzisothiazol-3(2H)-one, 3-Benzisothiazolinone-1,1-dioxide, Hermesetas, Benzo-2-sulphimide, Saccharol, Saccharina, 3-Oxo-2,3-dihydro-1,2-benzisothiazole-1,1-dioxide, SACCHARIN, 2,3-Dihydro-1,2-benzisothiazol-3-one-1,1-dioxide, Garantose, o-Benzoic sulphimide, 1,2-Dihydro-2-ketobenzisosulphonazole, Benzo-sulphinide, 2,3-Dihydro-3-oxobenzisosulfonazole, 1,2-Dihydro-2-ketobenzisosulfonazole, Saccharum, Saccharimide, Benzoylsulfonic Imide, 3-Hydroxybenzisothiazole S,S-dioxide, SACCHARIN INSOLUBLE, 3-Benzisothiazolinone 1,1-dioxide, Saccharin acid form Saccharin insoluble, Natreen, 2,3-Dihydro-1,2-benzoisothiazol-3-one-1,1-dioxide, o-Benzoyl sulphimide, RCRA Waste number U202

EINECS201-321-0

Density0.828

StabilityStable. Incompatible with strong oxidizing agents.

Melting Point226-229 °C

Storage TemperatureRefrigerator

Water solubility3.3 g/L (20 ºC)

Merck14,8311

Molecular weight183.18

BRN Number6888

InChI1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)

ACETALDEHYDE ETHYL LINALYL ACETAL

CAS40910-49-4

FormulaC14H26O2

Synonym1,6-Octadiene, 3,7-dimethyl-3-(1-ethoxyethoxy)-, 1,6-Octadiene, 3-(1-ethoxyethoxy)-3,7-dimethyl-, Ethyllinalyl acetal, ethyllinalylacetal, 6-Octadiene,3-(1-ethoxyethoxy)-3,7-dimethyl-1, 3-(1-Ethoxyethoxy)-3,7-dimethylocta-1,6-diene, Acetaldehyde linalyl ethyl acetal 1, BRN 3082409, Elintaal, 3,7-dimethyl-3-(1-ethoxyethoxy)-6-octadiene, 3,7-Dimethyl-3-(1-ethoxyethoxy)-1,6-octadiene, 1-ETHOXY-1-(3,7-DIMETHYL-1,6-OCTADIEN-3-YLOXY)ETHANE, Linalool ethyl acetal, Acetaldehyde ethyl linalyl acetal, 1-ethoxy-1-linalyloxethane, Ethyllinalyl acetal 1,6-Octadiene, 3,7-dimethyl-3-(1-ethoxyethoxy)-, Acetaldehyde linalyl ethyl acetal 2, acetaldehydeethyllinalylacetal, 3-(1-ethoxyethoxy)-3,7-dimethyl-6-octadiene, 3-(1-Ethoxyethoxy)-3,7-dimethyl-1,6-octadiene, EINECS 255-138-6

Molecular weight226.36

EINECS255-138-6

SMILESC=C[C@@](CC\C=C(\C)C)(C)O[C@@H](C)OCC

InChI1S/C14H26O2/c1-7-14(6,11-9-10-12(3)4)16-13(5)15-8-2/h7,10,13H,1,8-9,11H2,2-6H3

ACETALDEHYDE ETHYL ISOEUGENYL ACETAL

CAS84029-92-5

FormulaC14H20O3

Synonym1-(1-Ethoxyethoxy)-2-methoxy-4-(1-propenyl)benzene, ACETALDEHYDEETHYLISOEUGENYLACETAL, Benzene, 1-(1-ethoxyethoxy)-2-methoxy-4-(1-propenyl)-, Acetaldehyde ethyl isoeugenyl acetal, 2-(1-Ethoxyethoxy)-5-(1-propenyl) anisole, 1-(1-Ethoxyethoxy)-2-methoxy-4-(1-propenyl) benzene, 2-(1-ethoxyethoxy)-5-(1-propenyl)anisole

Molecular weight236.31

EINECS281-763-9

ACETALDEHYDE ETHYL HEXYL ACETAL

CAS54484-73-0

FormulaC10H22O2

SynonymEthyl hexyl acetal, 1-(1-Ethoxyethoxy)hexan, ACETALDEHYDEETHYLHEXYLACETAL, 1-(1-ethoxyethoxy)hexane, Acetaldehyde ethyl hexyl acetal, Hexane, 1-(1-ethoxyethoxy), 1-(1-Ethoxyethoxy) hexane, Lilivert, Earthy acetal, Brn 1698939, 1-ETHOXY-1-HEXYLOXYETHANE, Einecs 259-184-8, LILIVERT, BBA, Hexane, 1-(1-ethoxyethoxy)-

Molecular weight174.28

EINECS259-184-8

InChI1S/C10H22O2/c1-4-6-7-8-9-12-10(3)11-5-2/h10H,4-9H2,1-3H3

ACETALDEHYDE DIPHENETHYL ACETAL

CAS122-71-4

FormulaC18H22O2

Synonym1,1-Bis (phenethyloxy) ethane, Acetaldehyde diphenylethylacetal, 1,1-Bis(phenethyloxy)ethane, 1,1-[Ethylidenebis(oxy-2,1-ethanediyl)]bis-benzene, 1,1’-[ethylidenebis(oxy-2,1-ethanediyl)]bis-benzen, Phenylethylacetal, PHENYLETHYL ACETAL, (2-[1-(2-Phenylethoxy)ethoxy]ethyl)benzene, 1,1’-[ethylidenebis(oxy-2,1-ethanediyl)]bis-Benzene, PHENETHYL ACETAL, ACETALDEHYDE DIPHENETHYL ACETAL

Molecular weight270.37

EINECS204-568-2

InChI1S/C18H22O2/c1-16(19-14-12-17-8-4-2-5-9-17)20-15-13-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3

a-CAMPHORENE

CAS532-87-6

FormulaC20H32

SynonymCyclohexene, 4-(5-methyl-1-methylene-4-hexen-1-yl)-1-(4-methyl-3-penten-1-yl)-, 1-(4-Methyl-3-pentenyl)-4-(1-methylene-5-methyl-4-hexenyl)-1-cyclohexene, 4-(5-Methyl-1-methylene-4-hexenyl)-1-(4-methylpent-3-enyl) cyclohexene, 4-(5-Methyl-1-methylene-4-hexenyl)-1-(4-methyl-3-pentenyl)-1-cyclohexene, UNII-5RJO31754N, 4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methyl-3-pentenyl)-Cyclohexene, Cyclohexene, 4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methyl-3-pentenyl)-, DIMYRCENE, a-Camphorene, 4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methylpent-3-enyl)cyclohexene, 4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methyl-3-pentenyl)-cyclohexen, ALVASOL, p-Camphorene, EINECS 208-546-3, Cyclohexene,4-(5-methyl-1-methylene-4-hexenyl)-1-(4-methyl-3-pentenyl)-

Molecular weight272.47

SMILESC1(=CC[C@@H](C(=C)CC\C=C(\C)C)CC1)CC\C=C(\C)C

EINECS208-546-3

9-DECENYL PROPIONATE

CAS68480-06-8

FormulaC13H24O2

SynonymDecambrette, Dewy propionate, 9-Decenyl propanoate, 9-Decen-1-yl propionate, Propionic acid 9-decenyl ester, 9-Decen-1-ol,propanoate, 9-DECEN-1-OL:PROPIONATE, AMBRONATE, 9-decenyl propionate

Molecular weight212.33

EINECS270-882-1

8-CEDRENE EPOXIDE

CAS13567-39-0

FormulaC15H24O

Synonym2abeta,3alpha,5aalpha,7beta,7aalpha)]-alph, (1aS-(1aa,2ab,3a,5aa,7b,7aa))-Octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanoazuleno (5,6-b) oxirene, ANDRANE, ALPHA CEDRENE EPOXIDE, 7-methanoazuleno[5,6-b]oxirene,octahydro-3,6,6,7a-tetramethyl-2h-2[1as-(1a, 8-Cedrene epoxide, 8,9-EPOXY CEDRANE, [1aS-(1aalpha,2abeta,3alpha,5aalpha,7beta,7aalpha)]-octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanoazuleno[5,6-b]oxirene, 7-Methanoazuleno[5,6-b]oxirene,octahydro-3,6,6,7a-tetramethyl-,[1aS-(1a.alpha.,2a.beta.,3.alpha.,2H-2a, cedr-8-ene epoxide, a-Cedrene epoxide

Molecular weight220.35

EINECS236-971-4

6-ISOBUTYLQUINOLINE

CAS68141-26-4

FormulaC13H15N

Synonym6-(2-methylpropyl)-Quinoline, ISOBUTYL QUINOLINE, QUINOLINE, 6-SECONDARY BUTYL, 6-ISOBUTYLQUINOLINE, 6-(2-methylpropyl)-quinolin, 6-(2-Methlpropyl)quinoline

Molecular weight185.26

EINECS268-849-1

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