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CAS

Formula

Cuminyl acetate

CAS59230-57-8

FormulaC12H16O2

SynonymCuminic alcohol, acetate, p-cymen-7-ol acetate, Benzenemethanol, 4-(1-methylethyl)-, acetate, 4-Isopropylbenzyl acetate, p-Isopropylbenzyl acetate, Cuminyl acetate, p-Cumen-7-yl acetate, 4-Isopropylbenzyl acetate, p-Isopropylbenzyl acetate, (4-Propan-2-ylphenyl)methyl acetate

Molecular weight192.25

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

Cyclododecyl formate

CAS59052-82-3

FormulaC13H24O2

SynonymCyclododecyl formate, Cyclododecanol formate

Butyl octanoate

CAS589-75-3

FormulaC12H24O2

SynonymButyl caprylate, n-Butyl octanoate, Caprylic acid n-butyl ester, n-Caprylic acid n-butyl ester, Octanoic acid, butyl ester, n-Butylcaprylate, n-Butyl n-octanoate, Butyl octanoate, Butyl caprylate, n-Butyl caprylate, n-Butyl n-caprylate, n-Butyl octanoate, Caprylic acid n-butyl ester n-Caprylic acid n-butyl ester, Octanoic acid, butyl ester

Molecular weight200.32

InChI1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3

Melting Point-4.29E+01 ° C

Henry's Law Constant2.25E-03 atm-m3/mole

Boiling Point240.5 ° C

Vapor Pressure0.031 mm Hg

Atmospheric OH Rate Constant1.19E-11 cm3/molecule-sec

log P (octanol-water)4.790

Water solubility3.520 mg/L

3-Ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-carbaldehyde

CAS58243-85-9

FormulaC17H24O

Synonym1,1,4,4-Tetramethyl-6-ethyl-7-formyltetralin, 4-07-00-01118 (Beilstein Handbook Reference), 5,6,7,8-Tetrahydro-3-ethyl-5,5,8,8-tetramethyl-2-naphthalenecarboxaldehyde, 6-Ethyl-7-formyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene, BRN 2650998, EINECS 261-182-7, FETT, Formylethyltetramethyltetralin, Tetramethylethylformyltetralin, 2-Naphthalenecarboxaldehyde, 3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-, 2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-3-ethyl-5,5,8,8-tetramethyl-, 3-Ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-carbaldehyde, 3-Ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-carbaldehyde, Formylethyltetramethyltetralin

Molecular weight244.38

SMILESc12c(cc(C=O)c(c1)CC)C(CCC2(C)C)(C)C

Dimethyl tetrasulfide

CAS5756-24-1

FormulaC2H6S4

SynonymDimethyl tetrasulphide, 1,4-Dimethyltetrasulfide, Tetrasulfide, dimethyl, DIMETHYL TETRASULFIDE, DIMETHYL TETRASULPHIDE, 1,4-Dimethyltetrasulfane, tetrasulfide,dimethyl, Dimethyl pertetrasulfide, Dithiodithiodimethane, methyldisulfanyldisulfanylmethane, Dimethyl tetrasulfide, Methyldisulfanyldisulfanylmethane

Molecular weight158.33

InChI1S/C2H6S4/c1-3-5-6-4-2/h1-2H3

EINECS227-278-8

Thiocineol

CAS5718-75-2

FormulaC10H18S

Synonym(+/-)-2,8-EPITHIO-CIS-P-MENTHANE, 4,7,7-TRIMETHYL-6-THIABICYCLO(3.2.1)OCTANE, FEMA 4108, THIOCINEOLE, exo-(-)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane, Thiocineolefemano., (1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane, 6-Thiabicyclo[3.2.1]octane,4,7,7-triMethyl-, (1R,4R,5R)-, THIOCINEOLE, Thiocineol, 6-Thiobicyclo (3.2.1) octane-4,7,7-trimethyl, 2,6,6-Trimethyl-7-thiabicyclo[3.2.1]octane

Molecular weight170.31

EINECS227-219-6

1-(5,5-Dimethyl-1-cyclohexen-1-yl)-4-penten-1-one

CAS56973-85-4

FormulaC13H20O

Synonym1-(5,5-DIMETHYL-1-CYCLOHEXEN-1-YL)-4-PENTEN-1-ONE, 1-(5,5-dimethyl-1-cyclohexen-1-yl)-4-penten-1-on, 1-(5,5-dimethyl-1-cyclohexen-1-yl)pent-4-en-1-one, Dynascone 10, 4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)-, 1-(5,5-Dimethyl-1-cyclohexen-1-yl)pent-4-en-1-on, 1-(5,5-DIMETHYL-1-CYCLOHEXEN-1-YL)-4-PENTEN-1-ONE 10% IN D.P.G., 1-(5,5-DIMETHYL-1-CYCLOHEXEN-1-YL)-4-PENTEN-1-ONE PURE, 1-(5,5-Dimethyl-1-cyclohexen-1-yl)-4-penten-1-one, Dimethyl cyclohexenyl 3-butenyl ketone, Dynascone, Galbanum ketone, 4-Penten-1-one, 1-(5,5-dimethyl-1-cyclohexen-1-yl)-

Molecular weight192.30

EINECS260-486-7

Isoamyl senecioate

CAS56922-73-7

FormulaC10H18O2

Synonym3-methybutyl 3-methylbut-2-enoate, 3-Methyl-2-butenoic acid, 3-methylbutyl ester, isopentyl 3-methyl-2-butenoate, ISO-AMYL-SENECIOATE, 3-Methyl-2-butenoic acid, 3-methylbutyl ester, Isopentyl 3-methyl-2-butenoate, 2-Butenoic acid, 3-methyl-, 3-methylbutyl ester, Ai3-33688, Einecs 260-438-5, ISO-AMYL-SENECIOATE, Isoamyl senecioate

Molecular weight170.25

EINECS260-438-5

InChI1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3

Heptylidene diacetate

CAS56438-09-6

FormulaC11H20O4

Synonymheptylidene diacetate, 1,1-Diacetoxyheptane, 1,1-Heptanediol=diacetate, Diacetic acid heptylidene ester, Heptanal diacetyl acetal, Heptane-1,1-diol diacetate, 1,1-Heptanediol, 1,1-diacetate, Einecs 260-182-4, Heptylidene diacetate

Molecular weight216.27

EINECS260-182-4

Benzyl-2-methylbutyrate

CAS56423-40-6

FormulaC12H16O2

SynonymBenzyl 2-methylbutanoate, Butanoic acid, 2-methyl-, phenylmethyl ester, 2-methyl-butanoicaciphenylmethylester, Benzyl 2-methylbutanoate, Butanoicacid,2-methyl-,phenylmethylester, BENZYL-2-METHYLBUTYRATE, Benzyl-2-methylbutyrat, 2-Methylbutyric acid benzyl ester, 2-Methylbutanoic acid benzyl ester, Einecs 260-169-3, Benzyl-2-methylbutyrate, Benzyl-2-methylbutanoate, Butanoic acid, 2-methyl-, phenylmethyl ester

Molecular weight192.25

EINECS260-169-3

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

Geranyl crotonate

CAS56172-46-4

FormulaC14H22O2

SynonymGERANYL CROTONATE, 2-Butenoicacid,(2E)-3,7-dimethyl-2,6-octadienylester, 2-butenoicacid,3,7-dimethyl-2,6-octadienylester, 3,7-dimethyl-,2-butenoate,(e)-6-octadien-1-ol, 3,7-dimethyl-2,6-octadienylester,(?,e)-2-butenoicaci, 3,7-dimethyl-2-trans,6-octadienylcrotonate, crotonicacid,geraniolester, geraniolcrotonate, Geranyl crotonate, 2-Butenoic acid 3,7-dimethyl-2,6-octadienyl ester, (E,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate, 3,7-Dimethyl-2-trans, 6-octadienyl crotonate, Geranyl-2-butenoate, (E)-Neryl crotonate

Molecular weight222.32

EINECS260-027-0

p-t-Butylphenylisobutanol

CAS56107-04-1

FormulaC14H22O

Synonym3-(p-tert-butylphenyl)-2-methylpropanol, 4-(1,1-dimethylethyl)-.beta.-methyl-Benzenepropanol, 4-(1,1-Dimethylethyl)-ß-methylbenzene-1-propanol, 3-(4-tert-Butylphenyl)-2-methylpropyl alcohol, Benzenepropanol, 4-(1,1-dimethylethyl)-.beta.-methyl-, Nsc20782, 3-(p-tert-butylphenyl)-2-methylpropanol, p-t-Butylphenylisobutanol, 3-(p-t-Butylphenyl)-2-methylpropanol

Molecular weight206.32

EINECS259-996-2

Isobutyl linalool

CAS56105-46-5

FormulaC13H24O

Synonym3,7,9-trimethyldeca-1,6-dien-3-ol, 1,6-Decadien-3-ol, 3,7,9-trimethyl-, 3,7,9-Trimethyl-1,6-decadien-3-ol, 3,7,9-trimethyldeca-1,6-dien-3-ol, 3,7,9-Trimethyl-1,6-decadien-3-ol, 4-01-00-02291 (Beilstein Handbook Reference), AI3-36180, BRN 1760968, EINECS 259-994-1, Isobutyl linalol, UNII-8ZP1W03TK9, 1,6-Decadien-3-ol, 3,7,9-trimethyl-, 3,7,9-Trimethyldeca-1,6-dien-3-ol, Isobutyl linalool, 3,7,9-Trimethyldeca-1,6-dien-3-ol

Molecular weight196.33

EINECS259-994-1

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

Ethoxymethoxymethylphenol

CAS5595-79-9

FormulaC10H14O3

Synonym2-ethoxy-4-(methoxymethyl)phenol, Phenol, 2-ethoxy-4-(methoxymethyl)-, 2-ethoxy-4-(methoxymethyl)phenol, Ethoxymethoxymethylphenol, Dianthus ethone, 2-Ethoxy-4-(methoxymethyl) phenol, Methyl diantilis, Phenol, 2-ethoxy-4-(methoxymethyl)-

trans-Geranyl nitrile

CAS5585-39-7

FormulaC10H15N

SynonymGeranonitrile # 2, Geranonitrile, # 1, Geranyl nitrile, 2-Geranonitrile, Geranonitrile, (E)-3,7-dimethyl-2,6-octadienenitrile, (e)-3,7-dimethyl-2,6-octadienenitrile, 2-Geranonitrile, 6-Octadienenitrile,3,7-dimethyl-,(E)-2, Geranonitrile # 2, Geranonitrile # 3, Geranonitrile, # 1, 2,6-DIMETHYL-1,5-HEPTADIENYL CYANIDE, 3,7-DIMETHYL-2,6-OCTADIENE-1-NITRILE, (E)-3,7-Dimethyl-2,6-octadienenitrile, trans-Geranyl nitrile, (E)-3,7-Dimethylocta-3,6-dienenitrile

Molecular weight149.23

EINECS225-918-0

InChI1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7+

2,4-Octadienal

CAS5577-44-6

FormulaC8H12O

SynonymT2 T4 OCTADIENAL, FEMA 3721, 2,4-OCTADIENAL, 2,4-OCTADIEN-1-AL, trans,trans-2,4-Octadienal, 2 4-OCTADIENAL 97+% PREDOMINANTLY &, 2,4-Octadienal, predominantly trans,trans, 2,4-Octadienal, 2,4-Octadien-1-al

Molecular weight124.18

p-Menthadiene

CAS555-10-2

FormulaC10H16

Synonym(-)-ß-phellandrene, (+)-ß-phellandrene, 3-methylene-6-(1-methylethenyl)-cyclohexane (ß-phellandrene), p-Mentha-1(7),2-diene, Cyclohexene, 3-methylene-6-(1-methylethyl)-, Phellandrene, ß, beta-Phellandrene, 3-methylene-6-(1-methylethenyl)-cyclohexane, 3-Isopropyl-6-methylenecyclohexene, p-mentha-1(7),2-diene, ß-phellandrene,1(7)-2-p-menthadiene, Cyclohexene, 3-methylene-6-(1-methylethyl)-, 3-methylidene-6-propan-2-yl-cyclohexene, 1(7),2-p-Menthadiene, 3-Methylene-6-isopropylcyclohexene, 6-Isopropyl-3-methylene-1-cyclohexene, 4-Isopropyl-1-methylene-2-cyclohexene, p-mentha-1(7),2-diene, 2-p-Menthadiene, 3-Isopropyl-6-methylene-1-cyclohexene, 3-Methylene-6-(1-methylethyl)cyclohexene, 4-Isopropyl-1-methylene-2-cyclohexene, beta-Phellandrene, Cyclohexene, 3-methylene-6-(1-methylethyl)-, EINECS 209-081-9, HSDB 4080, NSC 53044, p-Mentha-1(7),2-diene, PHELLANDRENE, BETA, UNII-2KK225M001, Cyclohexene, 3-methylene-6-(1-methylethyl)-, p-Mentha-1(7),2-diene, p-Menthadiene, 1(7)-2-p-Menthadiene, p-Mentha-1(7),2-diene, b-Phellandrene

Molecular weight136.23

EINECS209-081-9

SMILESC([C@@H]1CCC(=C)C=C1)(C)C

InChI1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3

Vapor Pressure1.59 mm Hg

Boiling Point171.5 ° C

Water solubility2.450 mg/L

Atmospheric OH Rate Constant1.68E-10 cm3/molecule-sec

Henry's Law Constant0.262 atm-m3/mole

log P (octanol-water)4.700

Ethyl hydroxyoleate

CAS55066-53-0

FormulaC20H38O3; C21H40O3

Synonym9-Octadecenoic acid, 12-hydroxy-, ethyl ester, [R-(Z)]-, ethyl (R)-12-hydroxyoleate, ETHYL RICINOLEATE, DELTA 9 CIS 12 HYDROXY OCTADECENOIC ACID ETHYL ESTER, (R)-ricinoleicacidethylester, (R)-ricinolicacidethylester, 12-hydroxy-,ethylester,[R-(Z)]-9-Octadecenoicacid, 12-hydroxy-,ethylester,[theta-(z)]-9-octadecenoicaci, RICINOLEIC ACID ETHYL ESTER, RICINOLIC ACID ETHYL ESTER, RICINOLEIC ACID ETHYL ESTER, Ethyl hydroxyoleate, Ethyl (R)-12-hydroxyoleate, Ethyl ricinoleate, Ricinoleic acid ethyl ester

Molecular weight326.51

EINECS259-462-9

InChI1S/C20H38O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h11,14,19,21H,3-10,12-13,15-18H2,1-2H3/b14-11-/t19-/m0/s1

Storage Temperature-20°C

Boiling Point258 °C / 13mmHg

Density0.92

3-Methyl-5-phenylpentanal

CAS55066-49-4

FormulaC12H16O

SynonymMEFRANAL, 3-METHYL-5-PHENYL-1-PENTANAL, .beta.-methyl-Benzenepentanal, beta-methyl-benzenepentana, PHENYLMETHYLPENTANAL, Benzenepentanal, .beta.-methyl-, 3-Methyl-5-phenylpentanal, 3-METHYL-5-PHENYL-1-PENTANAL, 3-Methyl-5-phenyl-1-pentanal, EC 433-900-0, UNII-00RZ3F0O1X, 3-Methyl-5-phenylpentan-1-al, Benzenepentanal, beta-methyl-, 3-Methyl-5-phenylpentanal

Molecular weight176.25

SMILESO=CC[C@@H](CCc1ccccc1)C

3-Mercapto-2-butanol

CAS54812-86-1

FormulaC4H10OS

SynonymFEMA 3502, 3-MERCAPTOBUTAN-2-OL, 3-mercapto-2-butanol, mixture of isomers, 3-Mercapto-2-butanol,mixture of isomers, 3-MERCAPTO-2-BUTANOL, 97%, MIXTURE OF IS OMERS, 3-Mercapto-2-butanol, 2-Butanol, 3-mercapto-, 2-Hydroxy-3-butanethiol, 3-Mercapto-2-butanol, CH3CH(SH)CH(OH)CH3

Molecular weight106.19

EINECS253-701-0

Density0.999 g/mL at 25 °C

Refractive Index1.48

Boiling Point59-61 °C10 mm Hg

Flash Point143 °F

Isopropyl undecylenate

CAS5459-98-3

FormulaC14H26O2

SynonymISO-PROPYL-UNDECYLENATE, isopropyl undec-10-enoate, 10-Undecenoic acid, 1-methylethyl ester, 10-Undecenoic acid isopropyl ester, ISO-PROPYL-UNDECYLENATE, Isopropyl undecylenate

Molecular weight226.36

EINECS226-735-9

Heptyl methacrylate

CAS5459-37-0

FormulaC11H20O2

SynonymHeptyl methacrylate, 2-methyl-2-propenoicaciheptylester, Heptyl methacrylate, N-HEPTYL METHACRYLATE, 2-Propenoic acid, 2-methyl-, heptyl ester, Heptylmethacrylat, Methacrylic acid heptyl ester, 2-methylacrylic acid heptyl ester, heptyl 2-methylprop-2-enoate, N-HEPTYL METHACRYLATE, AI3-33333, EINECS 226-727-5, ENT 33333, Heptyl methacrylate, Methacrylic acid, heptyl ester, n-Heptyl methacrylate, NSC 24171, 2-Propenoic acid, 2-methyl-, heptyl ester, Heptyl methacrylate, Heptyl methacrylate, n-Heptyl methacrylate, Heptyl 2-methyl-2-propenoate

Molecular weight184.28

EINECS226-727-5

SMILESO=C(OCCCCCCC)C(=C)C

InChI1S/C11H20O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h2,4-9H2,1,3H3

Valeraldehyde hexyleneglycol acetal

CAS54546-26-8

FormulaC11H22O2

Synonym2-BUTYL-4,4,6-TRIMETHYL-1,3-DIOXANE, HERBOXANE, 2-butyl-4,4,6-trimethyl-3-dioxane, 3-Dioxane,2-butyl-4,4,6-trimethyl-1, 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-, 2-Butyl-4,4,6-trimethyl-1,3-dioxan, 3-DIOXANE, 2-BUTYL-4,4,6-TRIMETHYL-1,97+%, 2-BUTYL-4,4,6-TRIMETHYL-1,3-DIOXANE, Valeraldehyde hexyleneglycol acetal, 2-Butyl-4,4,6-trimethyl-1,3-dioxane, Herbal acetal, Herboxane, 2,4-O-Pentylidene-2-methylpentane-2,4-diol

Molecular weight186.29

EINECS259-210-8

Isopropyl octanoate

CAS5458-59-3

FormulaC11H22O2

SynonymIsopropyl-n-octanoate, Octanoic acid, 1-methylethyl ester, n-Octanoic acid isopropyl ester, 2-propyl octanoate, Octanoic acid, isopropyl ester, Isopropyl caprylate, 1-Methylethyloctanoate, caprylicacidisopropylester, Octanoic acid, 1-methylethyl ester, Octanoic acid, isopropyl ester, Octanoicacid,1-methylethylester, octanoicacid1-methylethylester, octanoicacidisopropylester, N-OCTANOIC ACID ISOPROPYL ESTER, N-CAPRYLIC ACID ISOPROPYL ESTER, Isopropyl octanoate, n-Caprylic acid isopropyl ester, n-Octanoic acid isopropyl ester, Octanoic acid 1-methyl ethyl ester, Propan-2-yl octanoate

Molecular weight186.29

EINECS226-721-2

InChI1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3

Heptyl valerate

CAS5451-80-9

FormulaC12H24O2

SynonymPentanoic acid, heptyl ester, ENT 30517, Heptyl valerate, Valeric acid, heptyl ester, 39840N, HEPTYL-VALERATE, 39840N, ENT 30517, Heptyl pentanoate, pentanoicacid,heptylester, pentanoicacidheptylester, Valeric acid, heptyl ester, HEPTYL-VALERATE, Heptyl valerate, Heptyl pentanoate, Pentanoic acid heptyl ester

Molecular weight200.32

EINECS226-686-3

InChI1S/C12H24O2/c1-3-5-7-8-9-11-14-12(13)10-6-4-2/h3-11H2,1-2H3

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