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CAS

Formula

Sodium xylenesulfonate

CAS1300-72-7

FormulaC8H9NaO3S; C8H10O3S.Na

SynonymBenzenesulfonic acid, dimethyl-, sodium salt, Caswell No. 799A, CCRIS 4893, Conco SXS, Cyclophil sxs30, EC 215-090-9, EINECS 215-090-9, Eltesol SX 30, EPA Pesticide Chemical Code 079019, HSDB 776, Hydrotrope, Naxonate, Naxonate G, NCI-C55403, Richonate SXS, Sodium dimethylbenzenesulfonate, Sodium xylenesulfonate, Stepanate X, Surco SXS, Ultrawet 40SX, UNII-G4LZF950UR, Xylenesulfonic acid, sodium salt, Benzenesulfonic acid, dimethyl-, sodium salt, Benzenesulfonic acid, dimethyl-, sodium salt (1:1), Sodium xylenesulphonate, Xylenesulfonic acid, sodium salt, Superlist Names Sodium xylenesulfonate, Xylenesulfonic acid, sodium salt, Sodium xylenesulfonate, Dimethylbenzene sulfonic acid, sodium salt, Sodium dimethylbenzenesulfonate, SXS, Xylenesulfonic acid, sodium salt

Molecular weight208.21

SMILESS(=O)(=O)(c1cc(c(cc1)C)C)[O-].[Na+]

Tridecylbenzene

CAS123-02-4

FormulaC19H32

SynonymBenzene, tridecyl-, Tridecylbenzene, Tridecane, 1-phenyl-, Detergent Alkylate No. 5, n-Tridecylbenzene, Tridane, Tridecylbenzene, 1-Phenyltridecane, Tridecane, 1-phenyl-

Molecular weight260.46

InChI1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3

Dodecylbenzene

CAS123-01-3

FormulaC18H30

SynonymBenzene, dodecyl-, n-dodecylbenzene, Dodecylbenzene, Dodecane, 1-phenyl-, Alkylate P 1, Detergent Alkylate No. 2, Marlican, Nalkylene 500, Detergent alkylate, Laurylbenzene, Phenyldodecan, Phenyldodecane, 1-Dodecylbenzene, NSC 102805, Dodecylbenzene, Laurylbenzene, 1-Phenyldodecane

Molecular weight246.43

InChI1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3

Isolongifolene

CAS1135-66-6

FormulaC15H24

Synonym2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, Isolongipholene, trans-Isolongifolene, (2S,4aR)-1,1,5,5-Tetramethyl-2,3,4,5,6,7-hexahydro-1H-2,4a-methanonaphthalene, 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-, 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-(-)-, 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S-cis)-, (-)-Isolongifoline, (2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene, 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, EINECS 214-494-2, iso-Longifolene, Isolongifolene, UNII-E0LN4V7EY4, (2S)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene, 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-, Isolongifolene, Hexahydrotetramethyl methanonaphthalene, 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-

Molecular weight204.35

SMILESCC1(C)CCC=C2C(C)(C)[C@H]3CC[C@@]12C3

InChI1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3

Tridecyl alcohol

CAS112-70-9

FormulaC13H28O

SynonymTridecanol, n-Tridecanol, n-Tridecan-1-ol, Tridecan-1-ol, n-Tridecyl alcohol, 1-Hydroxytridecane, Tridecyl alcohol, Tridecyl alcohol, C13 linear primary alcohol, Tridecanol, 1-Tridecanol, n-Tridecanol, n-Tridecyl alcohol

Molecular weight200.36

InChI1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3

Triethylenetetramine

CAS112-24-3

FormulaC6H18N4

SynonymTriethylenetetramine, DEH 24, N,N'-Bis(2-Aminoethyl)-1,2-ethanediamine, N,N'-Bis(2-aminoethyl)ethylenediamine, Trien, TECZA, TETA, 1,4,7,10-Tetraazadecane, 1,8-Diamino-3,6-Diazaoctane, 3,6-Diazaoctane-1,8-diamine, 3,6-Diazaoctanethylenediamin, Ethylenediamine, N,N'-bis(2-aminoethyl)-, Araldite HY 951, Trientine, Araldite Hardener HY 951, N,N'-Bis(2-aminoethyl)-1,2-diaminoethane, Trientene, Ethanediamine, N,N'-bis(2-aminoethyl)-, 1,2-Ethanediamine, N1,N2-bis(2-aminoethyl)-, HY 951, NSC 443, Triethylenetetramine, N,N-Bis (2-aminoethyl)-1,2-diaminoethane, N,N-Bis (2-aminoethyl)-1,2-ethanediamine, N,N-Bis (2-aminoethyl) ethylenediamine, N,N-Bis (2-aminoethyl)-1,2-ethylenediamine, 3,6-Diazaoctane-1,8-diamine TET, TETA, 1,4,7,10-Tetraazadecane, Trien, Trientine

pKa Dissociation Constant9.92

Henry's Law Constant1.66E-11 atm-m3/mole

Water solubility4.77E+06 mg/L

Atmospheric OH Rate Constant2.32E-10 cm3/molecule-sec

Molecular weight146.23

InChI1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2

Vapor Pressure4.12E-04 mm Hg

Boiling Point266.5 ° C

log P (octanol-water)-2.650

Melting Point12 ° C

Stearamide MEA

CAS111-57-9

FormulaC20H41NO2

SynonymOctadecanamide, N-(2-hydroxyethyl)-, Clindrol 200-MS, Comperlan HS, Cycloamide SM, Loramine S 280, Marlamid M 18, Monoethanolamine stearic acid amide, N-(Hydroxyethyl)stearamide, N-(2-Hydroxyethyl)octadecanamide, N-(2-Hydroxyethyl)stearamide, N-Stearoylethanolamine, Onyx Wax EL, Stearamide MEA, Stearamyl, Stearic acid monoethanolamide, Stearic ethylolamide, Stearic monoethanolamide, Stearic monoethanolamine, Stearoyl Monoethanolamide, Stearoylethanolamine, Stearamide, N-(2-hydroxyethyl)-, 1:1 Stearamide MEA, Alkamide S-280, Amidex SME, Mackamide SMA, Monamid S, Rewomid S 280, Stearamide-MEA (1:1), Stearoylethanolamide, Witcamide 70, NSC 3377, 8038-89-9, Stearamide MEA, N-(2-Hydroxyethyl) octadecanamide, N-(2-Hydroxyethyl) stearamide, Monoethanolamine stearic acid amide, Stearic acid monoethanolamide, Stearoyl monoethanolamide

Molecular weight327.55

SMILESC(CCCCCCCCCCCCCCC)CC(NCCO)=O

InChI1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)

Hexyl dodecanol

CAS110225-00-8

FormulaC18H38O

SynonymHexyl dodecanol, 2-Hexyl-1-dodecanol

Molecular weight270.50

SMILESCCCCCCCCCC[C@@H](CO)CCCCCC

Oleoyl sarcosine

CAS110-25-8

FormulaC21H39NO3

SynonymOleoyl sarcosine, N-Methyl-N-(1-oxo-9-octadecenyl) glycine, (Z)-N-Methyl-N-(1-oxo-9-octadecenyl) glycine, n-Oleoylsarcosine, Oleyl N-methylaminoacetic acid, Oleyl methylaminoethanoic acid Oleyl N-methylglycine, Oleyl sarcosine, N-Oleyl sarcosine

Molecular weight353.54

SMILESCCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O

Dimethyl amyl maleate

CAS105-52-2

FormulaC16H28O4

SynonymMaleic acid dihexyl ester, 2-Butenedioic acid bis (1,3-dimethylbutyl) ester, Di-4-methyl-2-amyl maleate, Di (4-methyl-2-pentyl) maleate, Dihexyl maleate, Dimethyl amyl maleate, DMAM Maleic acid di (1,3-dimethylbutyl) ester

Molecular weight284.39

SMILESO([C@@H](CC(C)C)C)C(\C=C/C(O[C@@H](CC(C)C)C)=O)=O

Poly(oxy-1,2-ethanediyl),a-phenyl-o-hydroxy-, styrenated

CAS104376-75-2

FormulaUnspecified

SynonymPoly(oxy-1,2-ethanediyl),a-phenyl-o-hydroxy-, styrenated

Sodium hexadecyl sulfate

CAS1120-01-0

SynonymSodium hexadecyl sulfate, Na, Sodium n-hexadecyl sulfate, C16-H34-O4-S, C16-H34-O4-S.Na, Nikkol S.C.S, CETYLSULFURIC ACID SODIUM SALT, Molecular Formula Fragments C16-H33-O4-S, 159258-34-1, Sodium hexadecyl sulphate, N-HEXADECYLSULFURIC ACID SODIUM SALT, Related Registry Number 143-02-2 (Parent), Hexadecyl sodium sulfate, CETYL SODIUM SULFATE, SODIUM CETYL SULFATE, Cetyl sulfate sodium salt, Molecular Formulas ?Molecular Formulas C16-H33-O4-S.Na, COMPONENT, 1-Hexadecanol, hydrogen sulfate, sodium salt, Registry Numbers ?CAS Registry Number 1120-01-0, System Generated Number 0001120010, Sodium monohexadecyl sulfate, N-HEXADECYL SULFATE, SODIUM SALT, 1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1), SODIUM N-HEXADECYL SULPHATE, Sodium hexadecyl sulfate Sodium monohexadecyl sulfate, Tergitol anionic 7, EINECS 214-292-4, Hexadecyl sulfate, sodium salt, NSC 139031, FDA UNII 3V3Y3O7BIQ, Conco sulfate C, Avitex C, Sodium palmityl sulfate, UNII-3V3Y3O7BIQ, Avitex SF, Cetyl sulfate, sodium salt, Other Registry Numbers 123898-29-3, Hexadecylsulfate, sodium salt, Superlist Name Hexadecyl sulfate, sodium salt

Molecular weight344.49

EINECS214-292-4

SMILESCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]

StabilityStable. Incompatible with strong oxidizing agents.

Melting Point190-192°C

Water solubilitySoluble in water.

BRN Number3578850

Isophytol

CAS505-32-8

FormulaC20H40O

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

N-Phenyldiethanolamine

CAS120-07-0

FormulaC10H15NO2

SynonymN,N-Dihydroxyethylaniline, Ethanol, 2,2'-(phenylimino)di-, 2-[(2-Hydroxy-ethyl)-phenyl-amino]-ethanol, N,N-Bis(2-hydroxyethyl)aniline, NSC 6327, 2,2’-(phenylimino)bis-ethano, Phenyldiethanolamine, (bis(2-hydroxyethyl)amino)benzene, 2,2’-(phenylimino)di-ethano, Diethanolphenylamine, N,N-Bis(ß-hydroxyethyl)aniline, 2,2’-(phenylimino)bis-Ethanol, N-Phenyl-N,N-diethanolamine, Diethanolaminobenzene, PDEA, 2,2’-(phenylamino)diethanol, 2,2'-(Phenylamino)diethanol, N,N-Di(ß-hydroxyethyl)aniline, Dihydroxyethylaniline N,N-Di-(2-hydroxyethyl) aniline, Phenylbis(2-hydroxyethyl)amine, N,N-Di(2-hydroxyethyl)aniline, N-Phenyldiethanolamine, 2,2'-(Phenylimino)diethanol, Di(hydroxyethyl)aniline, [Bis(2-hydroxyethyl)amino]benzene, 2,2-(Phenylimino) diethanol, 2,2-(Phenylamino) diethanol N-Phenyldiethanolamine, N,N-Diethanolaniline, 2,2’-(phenylimino)bis(ethanol), N,N-Di(b-hydroxyethyl) aniline, N,N-Dioxyethylaniline, N,N-Bis (2-hydroxyethyl) aniline, Diethanolaniline, 2,2-(Phenylminio) bisethanol, N-Phenyl-2,2'-iminodiethanol

Molecular weight181.23

EINECS204-368-5

SMILESc1(N(CCO)CCO)ccccc1

InChI1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2

BRN Number2096832

SensitiveAir Sensitive & Hygroscopic

Vapor Density>1

Boiling Point270 °C

Melting Point56-58 °C

Water solubility45 g/L (20 ºC)

Vapor Pressure<0.01 mm Hg ( 20 °C)

Flash Point200 °C

Density1.1

Vapor Pressure2.02E-06 mm Hg

Melting Point57 ° C

Water solubility3.34E+04 mg/L

Henry's Law Constant2.02E-10 atm-m3/mole

Atmospheric OH Rate Constant1.76E-10 cm3/molecule-sec

log P (octanol-water)0.630

1,2-Diaminocyclohexane, mixture of cis and trans

CAS694-83-7

FormulaC6H14N2

Synonym1,2-Cyclohexanediamine, Cyclohexanediamine1,2-cyclohexanediamine, DACH, DCH-99, 1,2-DCH, Diaminocyclohexane, 1,2-Diaminocyclohexane, 1,2-Diaminocyclohexane,c&t, cyclohex-1,2-ylenediamine

Molecular weight114.19

InChI1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2

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

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

Propylene oxide

CAS75-56-9

FormulaC3H6O

SynonymUN 1280, Propylene epoxide 1,2-Propylene oxide, (R,S)-2-Methyl-oxirane, Epihydrin, Methylethylene oxide, 1,2-Propylene oxide, NCI-C50099, BRN 0079763, UN1280, Ethylene oxide, methyl-, Oxirane, methyl-, Oxyde de propylene, Propene oxide, 2-Methyloxiran, 3-Methyl-1,2-epoxypropane, S(-)-Methyloxirane, Methyl ethylene oxide, Propyleneoxide, Propylene oxide [UN1280] [Flammable liquid], Caswell No. 713A, 1,2-Epoxypropane, Methyloxacyclopropane Methyloxirane, Propane, 1,2-epoxy-, AD 6 (suspending agent), CCRIS 540, Propane, epoxy-, Methyloxirane, Superlist Names 1,2-Epoxypropane, caswellno713a, Oxirane, 2-methyl-, Propylene epoxide, 5-17-01-00017 (Beilstein Handbook Reference), 2,3-Epoxypropane, ai3-07541, Methyl oxirane, 2-Methyl oxirane, EPA Pesticide Chemical Code 042501, (.+/-.)-1,2-Epoxypropane, EC 200-879-2, (.+/-.)-Methyloxirane, 1,2-epoxy-propan, UNII-Y4Y7NYD4BK, AD 6, Propylene oxide, ad6(suspendingagent), HSDB 173, Oxyde de propylene [French], Epoxypropane, Methyloxacyclopropane, EINECS 200-879-2

Freezing Point-112.13?

Refractive Index1.366

Density0.83 g/mL at 25 °C

Boiling Point34 °C

Merck14,7856

Molecular weight58.08

EINECS200-879-2

SMILESC1[C@@H](O1)C

InChI1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3

Melting Point-1.12E+02 ° C

Boiling Point35 ° C

log P (octanol-water)0.03

Water solubility5.90E+05 mg/L

Henry's Law Constant6.96E-05 atm-m3/mole

Atmospheric OH Rate Constant5.20E-13 cm3/molecule-sec

Vapor Pressure538 mm Hg

Water solubility40 g/100 mL (20 ºC)

BRN Number79763

StabilityStable. Incompatible with acids, bases, oxidizing agents, copper, copper alloys, brass, bronze, iron, metal chlorides, peroxides and a wide variety of other materials. Reacts with compounds containing labile hydrogen. Extremely flammable - note

Flash Point-35 °F

Storage TemperatureFlammables area

Vapor Density2

Melting Point-112 °C

Vapor Pressure29.43 psi ( 55 °C)

5-METHYL-5-PHENYL-3-HEXANONE

CAS4927-36-0

FormulaC13H18O

Synonym5-Phenyl-5-methyl hexanone-3, Einecs 225-561-0, 5-Methyl-5-phenyl-3-hexanone, 5-Phenyl-5-methylhexan-3-one, 5-methyl-5-phenylhexan-3-one, 3-Hexanone, 5-methyl-5-phenyl-, Pepper hexanone

Molecular weight190.28

EINECS225-561-0

3-METHYL-5-PHENYL-2-PENTENENITRILE

CAS93893-89-1

FormulaC12H13N

Synonym3-methyl-5-phenylpent-2-enenitrile, CITRONITRILE, 5-PHENYL-3-METHYL-2-PENTENONITRILE, 2-Pentenenitrile, 3-methyl-5-phenyl-

EINECS299-682-2

4,8-DIMETHYL-4,9-DECADIENAL

CAS71077-31-1

FormulaC12H20O

Synonym4,8-dimethyl-4,9-decadienal, 9-Decadienal, 4,8-dimethyl-4, Magnolia decadienal, 4,8-Dimethyldeca-4,9-dienal, EINECS 275-174-6, 4,9-Decadienal, 4,8-dimethyl-

EINECS275-174-6

SMILESO=CCC\C(=C\CC[C@@H](C=C)C)C

Molecular weight180.29

3-PHENYLBUTYRALDEHYDE

CAS16251-77-7

FormulaC10H12O

SynonymPHENYLBUTYRALDEHYDE(3-), 3-Methyl-3-phenylpropanal, 3-Phenylbutanal, .beta.-methyl-Benzenepropanal, Benzenepropanal, beta-methyl-, 3-PHENYLBUTYRALDEHYDE, Benzenepropanal, b-methyl-, 3-PHENYL BUTANAL, Benzenepropanal,ßmethyl-, UNII-1B5MVX2XGA, Benzenepropanal,ß-methyl-, EC 240-362-9, Hyacinth butanal, Trifernal, EINECS 240-362-9, (R,S)-3-Phenyl-butyraldehyde

Molecular weight148.20

EINECS240-362-9

SMILESO=CC[C@@H](c1ccccc1)C

4-ETHYL-alpha,alpha-DIMETHYL-BENZENEPROPA NENITRILE

CAS134123-93-6

FormulaC13H17N

Synonym3-(4-Ethyl phenyl)-2,2-dimethylpropanenitrile, Floral nitrile, 4- Ethyl-a,a-dimethyl benzene propane nitrile

Molecular weight187.28

SMILESc1(ccc(cc1)CC)CC(C#N)(C)C

3-ETHYL-2,4-DIOXASPIRO(5.5)UNDEC-8-ENE

CAS64165-57-7

FormulaC11H18O2

Synonym3-ethyl-2,4-dioxaspiro[5.5]undec-8-ene, 3-Ethyl-2,4-dioxaspiro[5.5]undec-8-en, Rose undecene, 3-Ethyl-2,4-dioxaspiro (5.5) undec-8-ene

Molecular weight182.26

EINECS264-716-7

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