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CAS

Formula

2-Methyl-1,3-cyclohexadiene

CAS1489-57-2

FormulaC7H10

Synonym4,5-dihydrotoluene, 2-methyl-1,3-cyclohexadiene, 4,5-dihydrotoluene, 2-Methyl-1,3-cyclohexadiene, 4,5-dihydrotoluene, 2-Methyl-1,3-cyclohexadiene, 4,5- Dihydrotoluene

Molecular weight94.15

EINECS216-072-3

InChI1S/C7H10/c1-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3

Boiling Point107.5 ° C

log P (octanol-water)3.290

Atmospheric OH Rate Constant1.92E-10 cm3/molecule-sec

2-Ethylhexanal dimethylacetal

CAS14250-95-4

FormulaC10H22O2

Synonym2-Ethylhexanal dimethylacetal

Molecular weight174.28

EINECS238-126-5

SMILESC([C@@H](CC)CCCC)(OC)OC

Molecular weight256.34

EINECS205-547-0

SMILESC(CNC(=S)[S-])NC(=S)[S-].[Na+].[Na+]

log P (octanol-water)-4.240

Vapor Pressure9.48E-13 mm Hg

Henry's Law Constant1.60E-18 atm-m3/mole

Atmospheric OH Rate Constant1.47E-10 cm3/molecule-sec

Water solubility2.00E+05 mg/L

Molecular weight388.20

EINECS215-811-7

SMILESc1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl.C(CO)N

StabilityStable. Hydrolyzes in concentrated acidic or basic solutions.

Water solubility100 mg/L

Vapor Pressure1.00E-14 mm Hg

Melting Point216 ° C

Atmospheric OH Rate Constant2.10E-11 cm3/molecule-sec

log P (octanol-water)0.680

Henry's Law Constant4.30E-20 atm-m3/mole

SynonymIsobutyric anhydride, Isobutryic anhydride, Isobutyric acid anhydride, Isobutyryl anhydride, 2-Methylpropanoic anhydride, (iso-C3H7CO)2O, 2-Methylpropanoic acid anhydride, UN 2530, Propanoic acid, 2-methyl-, 1,1'-anhydride, Isobutyric anhydride, Isobutyric acid anhydride, Isobutyryl anhydride, Isobutyryl oxide, Isopropylformic anhydride, 2-Methylpropanoic acid anhydride 2-Methylpropanoic anhydride, 2-Methylpropionic anhydride

Molecular weight158.20

InChI1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3

1,3-Dithiane

CAS505-23-7

FormulaC4H8S2

Synonym1,3-Dithiacyclohexane, m-Dithiane, Dithiane-1,3, 1,3-Dithiacyclohexane, 1,3-Dithiane, AI3-62288, CCRIS 6777, Dithiane-1,3, Dithiane-1,3 [French], EINECS 208-006-7, NSC 157830, UNII-63527N060G, 1,3-Dithiane, m-Dithiane, 1,3-Dithiane, m-Dithiane

Molecular weight120.24

SMILESC1CSCSC1

InChI1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2

Melting Point54 ° C

Atmospheric OH Rate Constant7.96E-11 cm3/molecule-sec

log P (octanol-water)2.180

Potassium Lactate

CAS996-31-6

FormulaCH3CHOHCOOK

SynonymPotassium lactate, Lactic acid, monopotassium salt, Monopotassium 2-hydroxypropanoate acid, Potassium a-hydroxypropionate, Potassium-L-2-hydroxypropionate, Propanoic acid, 2-hydroxy-, monopotassium salt

2,3-Dimethylquinoxaline

CAS2379-55-7

FormulaC10H10N2

Synonym2,3-Dimethylquinoxaline, 2,3-Dimethylquinoxaline

Molecular weight158.20

InChI1S/C10H10N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-6H,1-2H3

Propyl valerate

CAS141-06-0

FormulaC8H16O2

SynonymPropyl valerate, Pentanoic acid, propyl ester, n-propyl pentanoate, Valeric acid, propyl ester, n-Propyl n-valerate, 1-propylpentanoate, n-propyl pentanoate, Pentanoicacid,propylester, pentanoicacidpropylester, Propyln-valerate, Valeric acid, propyl ester, N-VALERIC ACID PROPYL ESTER, N-PROPYL N-VALERATE, Propyl valerate, Pentanoic acid, propyl ester, Propyl pentanoate, n-Propyl pentanoate, n-Propyl n-valerate, Valeric acid, propyl ester

Molecular weight144.21

EINECS205-452-4

InChI1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3

log P (octanol-water)2.830

Atmospheric OH Rate Constant6.24E-12 cm3/molecule-sec

Melting Point-7.07E+01 ° C

Boiling Point167.5 ° C

Stearoptenes

CAS1406-57-1

FormulaUnspecified

SynonymStearoptenes

EINECS215-799-3

Molecular weight839.96

EINECS258-887-7

SMILESC1([C@H]2[C@@]([C@@]3(C([C@H]4[C@@](CC[C@@](C4)(C(O)=O)C)(C)CC3)=C1)C)(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)C(O)=O)[C@H]([C@H](O)[C@H](O1)C(O)=O)O)C)C)=O.N

2-(4-Methoxyphenoxy) propionic acid

CAS13794-15-5

FormulaC10H12O4

SynonymFEMA 3773, SODIUM 2-(4-METHOXYPHENOXY)PROPIONATE, Propanoic acid, 2-(4-methoxyphenoxy)-, SODIUM2-(4-METHOXYPHENOXY)PROPANOATE, 2-(4-METHOXYPHENOXY)PROPIONIC ACID SODIUM SALT, Lactisol, Sweetness inhibitor, Cover sweet powder (inhibiting sweetener), SODIUM 2-(4-METHOXYPHENOXY)PROPIONATE, 2-(4-Methoxyphenoxy)propanoic acid, 2-(p-Methoxyphenoxy)propionic acid, HPMP, Lactisol, Lactisole, Lactisole [MI], Lactisole, (+/-)-, NSC-352144, PMP, Propanoic acid, 2-(4-methoxyphenoxy)-, UNII-K573UZ6O8U, 2-(4-Methoxyphenoxy) propionic acid, Lactisol

Molecular weight196.20

SMILESCC(C(=O)O)Oc1ccc(cc1)OC

Triundecanoin

CAS13552-80-2

FormulaC36H68O6

Synonymglyceryltriundecanoate,triundecanoin, n-trihendecanoin, trihendecanoin, tri-undecanoi, triundecylin, undecanoicacid,1,2,3-propanetriylester, AKOMED C, 1,2,3-TRIUNDECANOYLGLYCEROL, Triundecanoin, Glycerol triundecanoate, Glyceryl triundecanoate, Undecanoic acid, 1,2,3-propanetriyl ester

Molecular weight596.92

EINECS236-935-8

Guaiol acetate

CAS134-28-1

FormulaC17H28O2

SynonymGuaiyl acetate, Guaijol, acetate, 2-((3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-yl acetate, 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-a,a,3,8-tetramethyl-, acetate, [3S-(3a,5a,8a)]-, 5-Azulenemethanol, 1,2,3,4,5a,6,7,8-octahydro-a,a,3ß,8ß-tetramethyl-, acetate, Guai-1(5)-en-11-ol, acetate, Guaiac acetate, 3,8-Dimethyl-5-alpha-hydroxy-deltadimethyl9-octa hydroazulene acetate, 3,8-Dimethyl-5-alpha-hydroxy-delta^9-octa hydroazulene acetate, 3,8-Dimethyl-5-alpha-hydroxy-delta9-octa hydroazulene acetate, 1-(3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydro-5-azulenyl)-1-methylethyl acetate, 1-methyl-1-((3S,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl acetate, Guaiol acetate, 1,4-Dimethyl-7-(a-hydroxyisopropyl)-D9,10-octahydroazulene acetate, Guaiacwood acetate, Guaiyl acetate

Molecular weight264.40

InChI1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1

Santalyl phenylacetate

CAS1323-75-7

FormulaC23H30O2

SynonymSantalyl phenylacetate, Phenyl acetic acid santalyl ester, a-Santalyl phenyl acetate, b-Santalyl phenyl acetate, Santalyl a-toluate

Molecular weight338.49

SMILESC\C(=C/CCC1(C)C2CCC(C2)C1=C)\COC(=O)Cc3ccccc3

Quinine

CAS130-95-0

FormulaC20H24N2O2

Synonymchinine, Cinchonan-9-ol, 6'-methoxy-, (8a,9R)-, (-)-Quinine, 6-Methoxycinchonine, 2-Quinuclidinemethanol, a-(6-methoxy-4-quinolyl)-5-vinyl-, Chinin, a-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol, 6'-Methoxycinchonine, Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, (8S,9R)-Quinine, 6'-Methoxycinchonidine, (8S,9R)-6'-Methoxycinchonan-9-ol, NSC 192949, Quinine, Cinchonan-9-ol, 6-mnethoxy-, 6-Methoxycinchonan-9-ol, (8-a,9R)-6-Methoxycinchonan-9-ol, 6-Methoxycinchonine, a-(6-Methoxy-4-quinoyl)-5-vinyl-2-quinclidinemethanol (-)-Quinine

Molecular weight324.42

InChI1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3

Methyl-b-cyclodextrin

CAS128446-36-6

FormulaUnspecified

SynonymMethyl-b-cyclodextrin, Cyclomaltoheptaose, methyl ether, b-Methylcycloamylose, Methyl cyclodextrin (INCI)

Molecular weight1,331.36

SMILESCOCC1C2C(C(C(O1)OC3C(OC(C(C3O)OC)OC4C(OC(C(C4O)OC)OC5C(OC(C(C5O)OC)OC6C(OC(C(C6O)OC)OC7C(OC(C(C7O)OC)OC8C(OC(O2)C(C8O)OC)COC)COC)COC)COC)COC)COC)OC)O

Pyrocatechol

CAS120-80-9

FormulaC6H6O2

SynonymPyrocatechol, o-Benzenediol, o-Dihydroxybenzene, o-Dioxybenzene, o-Hydroxyphenol, o-Phenylenediol, c.i. Oxidation base 26, c.i. 76500, Catechol, Catechol (phenol), Durafur developer c, Fouramine pch, Fourrine 68, Oxyphenic acid, Pelagol grey c, Phthalhydroquinone, Pyrocatechin, Pyrocatechine, 1,2-Dihydroxybenzene, 2-Hydroxyphenol, o-Hydroquinone, Benzene, o-dihydroxy-, NCI-C55856, o-Diphenol, Katechol, Pyrokatechin, Pyrokatechol, Kachin, 1,2-Benzenediol (pyrocatechol), o-catecol, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R-trans)-, NSC 1573, 1,2-Benzenediol, 1,2-Dihydroxybenzene, 2-Hydroxyphenol, 4-06-00-05557 (Beilstein Handbook Reference), AI3-03995, Benzene, o-dihydroxy-, BRN 0471401, C.I. 76500, C.I. Oxidation Base 26, Catechin (phenol), Catechol, Catechol (phenol), CCRIS 741, CI 76500, CI Oxidation Base 26, Durafur developer C, EC 204-427-5, EINECS 204-427-5, Fouramine PCH, Fourrine 68, HSDB 1436, Katechol, Katechol [Czech], NCI-C55856, NSC 1573, o-Benzenediol, o-Dihydroxybenzene, o-Dioxybenzene, o-Diphenol, o-Hydroquinone, o-Hydroxyphenol, o-Phenylenediol, ortho-Benzenediol, ortho-Dihydroxybenzene, ortho-Dioxybenzene, ortho-Hydroquinone, ortho-Hydroxyphenol, ortho-Phenylenediol, Oxyphenic acid, Pelagol Grey C, Phthalhydroquinone, Pyrocatechin, Pyrocatechine, Pyrocatechinic acid, Pyrocatechol, Pyrocatechuic acid, Pyrokatechin, Pyrokatechin [Czech], Pyrokatechol, Pyrokatechol [Czech], UNII-LF3AJ089DQ, 1,2-Benzenediol, Catechol, Pyrocatechol, Superlist Names 1,2-Benzenediol, Catechol, Pyrocatechol, Pyrocatechol, 1,2-Benzenediol, o-Benzenediol, Catechol, CI 76500, 1,2-Dihydroxybenzene o-Dihydroxybenzene, o-Dioxybenzene, o-Diphenol, o-Hydroquinone, 2-Hydroxyphenol o-Hydroxyphenol, Oxyphenic acid, o-Phenylenediol, Pyrocatechin, Pyrocatechinic acid Pyrocatechuic acid

Molecular weight110.11

SMILESc1(c(cccc1)O)O

InChI1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

Boiling Point245 ° C

Melting Point105 ° C

Atmospheric OH Rate Constant1.04E-10 cm3/molecule-sec

Henry's Law Constant3.14E-09 atm-m3/mole

pKa Dissociation Constant9.45

log P (octanol-water)0.88

Water solubility4.61E+05 mg/L

Geranyl linalool

CAS1113-21-9

FormulaC20H34O

Synonym(E,E)-Geranyl linalool, 1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (E,E)-, Geranyllinalol, Geranyl linallol, Linalool, geranyl-, (E,E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol, Geranyl linalool, Geranylinalool, 1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (E,E)-, 3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraene-3-ol, (E,E)-3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol

Molecular weight290.48

InChI1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+

Isojasmone

CAS11050-62-7

FormulaC11H16O

SynonymIsojasmone, Hexyl cyclopentenone, 2-Hexyl cyclopent-2-enone

Molecular weight164.25

SMILESC1(=C(C(=O)CC1)C)C\C=C\CC

Dimethyl Dicarbonate

CAS4525-33-1

Formula(CH3OCO)2O

SynonymDimethyl dicarbonate, Dimethyl pyrocarbonate, DMDC, Pyrocarbonic acid dimethyl ester

Benzene

CAS71-43-2

FormulaC6H6

SynonymPyrobenzol, Bicarburet of hydrogen Carbon oil, Benzene, Benzine, Mineral naphtha, NCI-C55276, NSC 67315, Phenyl hydride, Phene, Benzeen, Benzol, Fenzen, 1,3,5-Cyclohexatriene, Motor benzol, Rcra waste number U019, Benzolo, UN 1114, Benzen, Motor benzol Nitration benzene, Benzole, Cyclohexatriene, Pyrobenzole, [6]Annulene, Bicarburet of hydrogen, Benzolene, Carbon oil, Benzin, Annulene, Coal naphtha

Molecular weight78.11

InChI1S/C6H6/c1-2-4-6-5-3-1/h1-6H

Isoamyl heptanoate

CAS109-25-1

FormulaC12H24O2

SynonymIsopentyl heptanoate, iso-Amyl n-heptanoate, 3-methylbutyl heptanoate, Isoamyl heptanoate, 3-Methylbutyl heptanoate

Molecular weight200.32

InChI1S/C12H24O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h11H,4-10H2,1-3H3

DL-Menthone

CAS1074-95-9

FormulaC10H18O

Synonym()-Menthone, DL-Menthone, DL-p-Menthan-3-one

Molecular weight154.25

SMILESC1([C@@H](CC[C@@H](C1)C)C(C)C)=O

Atmospheric OH Rate Constant2.63E-11 cm3/molecule-sec

Henry's Law Constant1.59E-04 atm-m3/mole

log P (octanol-water)2.870

Water solubility688 mg/L

Vapor Pressure0.278 mm Hg

Methyl acetoacetate

CAS105-45-3

FormulaC5H8O3

SynonymMethyl 3-oxobutanoate, Acetoacetic acid methyl ester, Methyl acetylacetonate Methyl 3-oxobutanoate, MAA, Acetoacetic methyl ester, Methylester kyseliny acetoctove, Methyl 3-oxobutyrate, Methyl acetoacetate, 3-Oxobutanoic acid methyl ester, Methyl acetylacetate, Methyl acetylacetonate, Acetoacetic acid, methyl ester, Butanoic acid, 3-oxo-, methyl ester, 1-Methoxybutane-1,3-dione

Molecular weight116.12

InChI1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

Benzyl valerate

CAS10361-39-4

FormulaC12H16O2

SynonymPentanoic acid, phenylmethyl ester, AI3-02946, Valeric acid benzyl ester, Phenylmethyl valerate, Benzyl pentanoate, Benzyl valerianate, EINECS 233-789-7, Benzyl n-valerate, Valeric acid, benzyl ester, UNII-0195831F8E, Benzyanyl, Phenylmethyl (benzyl) valerate, Phenylmethyl pentanoate, Benzyl valerate

Molecular weight192.25

SMILESO=C(OCc1ccccc1)CCCC

InChI1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3

Propyl crotonate

CAS10352-87-1

FormulaC7H12O2

SynonymEINECS 233-768-2, Propyl 2-butenoate, Propyl crotonate, (E)-2-Butenoic acid propyl ester, AI3-06127, 2-Butenoic acid, propyl ester, Crotonic acid, propyl ester, 2-Butenoic acid propyl ester, Propyl (2E)-2-butenoate

Molecular weight128.17

SMILESCCCOC(\C=C\C)=O

InChI1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+

Benzyl octanoate

CAS10276-85-4

FormulaC15H22O2

SynonymOctanoic acid, phenylmethyl ester, Benzyl n-octanate, Benzyl caprylate, Octanoic acid, benzyl ester, Benzyl octanoate, Benzyl n-octanoate

Molecular weight234.33

InChI1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3

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