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CAS

Formula

Crotonic Acid

CAS3724-65-0

FormulaC4H6O2

SynonymCrotonic acid, crotonic, 3-methyl-acrylicaci, 3-Methylacrylic acid b-Methylacrylic acid, ’rotonicacid, b-Methacrylic acid, UN 2823, 2-Butenoic acid, isomer # 2, Kyselina krotonova, 2-Butenoic acid, a-Butenoic acid, NSC 206946, 3-Methylacrylic acid, But-2-enoic acid, Acrylic acid, 3-methyl-, a-butenoicacid, CH3CH=CHCOOH, ß-Methylacrylic acid, 2-Butensaure, a-Crotonic acid, 3-Methylacrylsaure, a-Butenoic acid, a-Crotonic acid

Molecular weight86.09

EINECS203-533-9

InChI1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)

Density1.027 g/mL at 25 °C

Vapor Pressure0.19 mm Hg ( 20 °C)

Melting Point70-72 °C

Vapor Density2.97

Boiling Point180-181 °C

Flash Point190 °F

FEMA3908

Water solubilitysoluble

Butyric Anhydride

CAS106-31-0

FormulaC8H14O3

SynonymButanoic acid, anhydride, AKOS BBS-00004317, UN 2739, BUTYRIC ANHYDRIDE, Butanoic anhydride, Butanoicacidanhydride, anhydridkyselinymaselne, n-Butyric anhydride, n-Butyric anhydride Butyryl oxide, n-Butyric acid anhydride, BUTYRYL OXIDE, Anhydrid kyseliny maselne, Butanoic acid, 1,1'-anhydride, Butyric acid anhydride, Butyranhydrid, n-Butanoic anhydride, Butanoicacid,anhydride

Merck14,1594

Water solubilityDecomposes

Refractive Index1.413

Vapor Density5.45

Density0.967 g/mL at 25 °C

Vapor Pressure10 mm Hg ( 79.5 °C)

SensitiveMoisture Sensitive

Boiling Point198-199 °C

Flash Point190 °F

BRN Number1099474

Melting Point-75--66 °C

Molecular weight158.20

EINECS203-383-4

SMILESCCCC(=O)OC(=O)CCC

InChI1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3

4-Isopropylphenol

CAS99-89-8

FormulaC9H12O

Synonymp-Cuminol, 4-(1-Methylethyl)phenol, 4'-HYDROXYCUMENE, 4-Hydroxycumene, Australol, Phenol, p-isopropyl Phenol, 4-(1-methylethyl)-, 4-(1-methylethyl)-Phenol, Phenol, p-isopropyl-, NSC 1888, PIPP, 4-HYDROXYCUMOL, 4-(1-methylethyl)-pheno, Prodox 133, 4-ISOPROPYLPHENOL, Phenol, 4-(1-methylethyl)-, p-Isopropylphenol, p-Cumenol, 1-Hydroxy-4-isopropylbenzene, 4-(1-Methylethyl) phenol

Molecular weight136.19

EINECS202-798-8

SMILESCC(C)c1ccc(O)cc1

InChI1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3

Vapor Density>1

Melting Point59-61 °C

Boiling Point212-213 °C

Flash Point108°C

BRN Number1363564

Diethyl adipate

CAS141-28-6

FormulaC10H18O4

Synonymethyldelta-carboethoxyvalerate, Ethyl d-carboethoxyvalerate, Diethyl hexanedioate, Diethyl adipatate, Hexanedioic acid, diethyl ester, Hexanedioic acid, 1,6-diethyl ester, Ethyl delta-carboethoxyvalerate, NSC 19160, diethylesterkyselinyadipove, Ethyl adipate, 1,6-Diethyl hexanedioate, Adipic acid, diethyl ester, Diethyl1,6-hexanedioate, Diethylester kyseliny adipove, Diethyl adipate, Ethyl adipate Ethyl d-carboethoxyvalerate

Molecular weight202.25

EINECS205-477-0

SMILESCCOC(=O)CCCCC(=O)OCC

InChI1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3

Merck14,162

Density1.009 g/mL at 25 °C

Boiling Point251 °C

Flash Point>230 °F

Melting Point-20--19 °C

BRN Number1780035

Refractive Index1.427

4-Isopropylphenol

CAS99-89-8

FormulaC9H12O

Molecular weight136.19

EINECS202-798-8

SMILESCC(C)c1ccc(O)cc1

InChI1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3

Vapor Density>1

Melting Point59-61 °C

Boiling Point212-213 °C

Flash Point108°C

BRN Number1363564

Diethyl adipate

CAS141-28-6

FormulaC10H18O4

Molecular weight202.25

EINECS205-477-0

SMILESCCOC(=O)CCCCC(=O)OCC

InChI1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3

Merck14,162

Density1.009 g/mL at 25 °C

Boiling Point251 °C

Flash Point>230 °F

Melting Point-20--19 °C

BRN Number1780035

Refractive Index1.427

Glyoxylic Acid Solution, 50wt.% in H2O

CAS298-12-4

FormulaC2H2O3

SynonymOCHCOOH, Oxoacetic acid, Glyoxylic acid, alpha-Ketoacetic acid, Formylformic acid, Acetic acid, oxo-, Aldehydoformicacid, Glyoxalate, Glyoxylate, formyl-formicaci, alpha-ketoaceticacid, a-Ketoacetic acid Oxaldehydic acid, glyoxylicacid(50%orless), NSC 27785, Formic acid, formyl-, Acetic acid, 2-oxo-, Glyoxalic acid, glyoxylicacid(oxo-aceticacid), a-Ketoacetic acid, Oxoethanoic acid, Formylformic, Kyselina glyoxylova, Oxalaldehydic acid

Molecular weight74.04

EINECS206-058-5

SMILESOC(=O)C=O

InChI1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)

Storage Temperature2-8°C

Flash Point111°C

Melting Point-93°C

Refractive Index1.414

Water solubilitymiscible

Density1.33 g/mL at 20 °C

Boiling Point111°C

Merck4511

2-Methoxybiphenyl

CAS86-26-0

FormulaC13H12O

Synonym2-METHOXYBIPHENYL, o-Methoxybiphenyl, O-METHOXYDIPHENYL, Anisole, o-phenyl-, 2-PHENYLANISOLE, 2-PHENYL-ANISOL, 1,1-Biphenyl, 2-methoxy-, METHYL DIPHENYL ETHER, O-PHENYLANISOLE, 2-Methoxydiphenyl, o-Phenyl anisole, 1,1'-Biphenyl, 2-methoxy-, 1’-Biphenyl,2-methoxy-1, biphenyl-2-yl methyl ether, 2-Hydroxybiphenyl methyl ether, 2-Methoxybiphenyl 2-Methoxy-1,1-biphenyl

Molecular weight184.23

EINECS201-659-9

SMILESCOc1ccccc1c2ccccc2

InChI1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3

Density1.023 g/mL at 25 °C

BRN Number2045749

Refractive Index1.61

Melting Point30-33 °C

Flash Point>230 °F

Boiling Point274 °C

4-tert-Butylbenzaldehyde

CAS939-97-9

FormulaC11H14O

SynonymTBB, 4-t-Butylbenzaldehyde, P-TERT-BUTYL BENZALDEHYDE, LABOTEST-BB LT00689343, 4-(1,1-dimethylethyl)-Benzaldehyde, 4-TERT-BUTYLBENZALDEHYDE, Benzaldehyde, 4-(1,1-dimethylethyl)-, p-t-Butylbenzaldehyde, AKOS BBS-00003171, 4-(1,1-dimethylethyl)-benzaldehyd, TIMTEC-BB SBB008564, benzaldehyde,-(1,1-dimethylethyl)-, 4-(1,1-Dimethylethyl) benzaldehyde

Molecular weight162.23

EINECS213-367-9

SMILESCC(C)(C)c1ccc(C=O)cc1

SensitiveAir & Light Sensitive

Density0.97 g/mL at 25 °C

Refractive Index1.53

Flash Point214 °F

Boiling Point130 °C25 mm Hg

BRN Number1906461

Molecular weight250.25

EINECS202-966-0

SMILESO=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1

InChI1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2

Flash Point196 °C

Boiling Point392 °C

Density1.19

Melting Point38-44 °C

BRN Number797662

Water solubilitydecomposes

StabilityStable. Combustible. Incompatible with strong oxidizing agents. Reacts violently with alcohols.

SensitiveMoisture Sensitive/Lachrymatory

Freezing Point37?

Storage TemperatureRefrigerator

Freezing Point37?

Nisin

CAS1414-45-5

FormulaC143H230N42O37S7

Synonymnsc-112903, nisin from streptococcus lactis, NISINSTREPTOCOCCUS LACTIS: 2.5% NISIN, 75% DENATURED MILK SOLIDS, L-Isoleucyl-(Z)-2,3-didehydro-2-aminobutanoyl-D-cysteinyl-L-isoleucyl-2,3-didehydroalanyl-L-leucyl-L-cysteinyl-threo-3-mercapto-D-2-aminobutanoyl-L-prolylglycyl-L-cysteinyl-L-lysyl-threo-3-mercapto-D-2-aminobutanoylglycyl-L-alanyl-L-leucyl-L-methionylglyc, Ambicin N, nisin from lactococcus lactis, Nisin, NisinC143H228N42O37S7

Molecular weight3,354.07

EINECS215-807-5

SMILESCCC(C)C(N)C(=O)NC(=C\C)/C(=O)NC1CSCC(NC(=O)C(CC(C)C)NC(=O)C(=C)NC(=O)C(NC1=O)C(C)CC)C(=O)NC2C(C)SCC(NC(=O)CNC(=O)C3CCCN3C2=O)C(=O)NC(CCCCN)C(=O)NC4C(C)SCC(NC(=O)CNC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC4=O)C(=O)NC(CC(N)=O)C(=O)NC(CCSC)C(=O)NC(CCCCN

2-Phenyl-2-butenal

CAS4411-89-6

FormulaC10H10O

Synonyma-Ethylidene-phenylacetaldehyde, a-ethylidenbenzeneacetaldehyde, alpha-ethylidene-benzeneacetaldehyd, (2Z)-2-Phenyl-2-butenal, 2-Butenal, 2-phenyl, Benzeneacetaldehyde, a-ethylidene-, 2-phenylbut-2-enal, 2-Phenylacetaldehyde, alpha-ethylidene, .alpha.-ethylidene-Benzeneacetaldehyde, 2-Phenyl-2-butenal, 2-Phenyl-2-buten-1-al, 2-Phenylacetaldehyde, a-ethylidene, 2-Phenyl butenal, a-ethylidene benzene acetaldehyde, 2-phenylcrotonaldehyde, Benzeneacetaldehyde, a-ethylidene-, alpha-ethylidenbenzeneacetaldehyde, .alpha.-ethylidenebenzeneacetaldehyde

Molecular weight146.19

EINECS224-567-0

SMILESCC=C(C=O)c1ccccc1

Orange Oil

CAS8008-57-9

SynonymCitrus oil, Citrus sinensis oil, Citrus sinensis peel oil, 5-Fold orange oil, Neat oil of sweet orange Orange oil, Orange oil, coldpressed, Orange peel oil, Orange peel, sweet, oil, Sweet orange oil Sweet orange peel oil, Oils, orange, sweet

Density0.842-0.846

Slightly Solublein water

Odoryel. to deep orange liq., char. orange odor and taste

Refractive Index1.472 (20 c)

Solubility2 vols 90 alcohol, 1 vol glac. acetic acid

(E)-2-octen-1-al

CAS2548-87-0

FormulaC8H14O

Synonym(E)-oct-2-enal, (E)-2-Octenal, T2 Octenal, 2-Octenal, (2E)-, (E)-Oct-2-enal

Density6.906-7.073 lbgal

Assay96.00 to 100.00 % sum of isomers

Refractive Index1.45000 to 1.45500 @ 20.00 °C

Vapor Density>1

Boiling Point84.00 to 86.00 °C. @ 19.00 mm Hg

Boiling Point50.00 to 55.00 °C. @ 2.50 mm Hg

logP (o/w)2.64

Odor Typegreen

Appearancecolorless to pale yellow clear liquid

Pounds/Gallon6.906 to 7.073

Vapor Pressure0.552000 mm/Hg @ 25.00 °C

Flash Point155.00 °F. TCC

Acid Value5.00 max. KOH/g

Odorfresh cucumber fatty green herbal banana waxy green leaf

Insolubilityin water

Molecular weight126.20

Colorcolorless to pale yellow liquid

Solubilityalcohol, fixed oils

Methyl Eugenol Natural

CAS93-15-2

FormulaC11H14O2

SynonymEugenyl Methyl Ether, 1,2-Dimethoxy-4-allylbenzene, 1-Allyl-2,4-dimethoxybenzene, 1,2 dimethoxy-4-prop-2-enylbenzene, 4-allylveratrole, Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-

Density1.032-1.036

Insolubilityin water, glycerin, propylene glycol

Odorclove, carnation odor

Refractive Index1.534 (20 c)

Molecular weight178.25

Colorcolorless to pale yellow liquid

Flash Point110 c

Solubilityalcohol, fixed oils

Boiling Point128-130 c (10 mm)

6-Methyl-5-Hepten-2-One Natural

CAS110-93-0

FormulaC8H14O

SynonymMethyl Heptenone, 6-methyl hept-5-en-2-one, sulcatone, 2-oxo-6- methyl hept-5-ene, 6-methylhept-5-en-2-one, 5-Hepten-2-one, 6-methyl-, 6-Methylhept-5-en-2-one

Methyl IsoEugenol Natural

CAS93-16-3

FormulaC11H14O2

Synonym4-Allyl-1,2-dimethoxy Benzene, Isoeugenyl Methyl Ether, 4-Propenyl Veratrole, 4-prop-1-enylveratrole, 1,2-Dimethoxy-4-(1-propenyl)benzene, 1-veratryl-1-propene, 1,2-dimethoxy-4-propenyl benzene, Benzene, 1,2-dimethoxy-4-(1-propen-1-yl)-, 4-Prop-1-enylveratrole, Methyl IsoeugenolMethyl Ether

Practically Insolublein min. oil

Insolubilityin glycerol

Odorclove-carnation odor, burning bitter taste

Refractive Index1.5650-15.690 (20 c)

Molecular weight178.23

Colorcolorless to pale yellow liquid

Flash Point230 f

Specific gravity1.04

Solubility2 parts 70 alcohol

Boiling Point262-264 c

Hexyl Hexanoate Natural

CAS6378-65-0

FormulaC12H24O2

Synonymhexanoic acid hexyl ester, hexyl caproate, Hexanoic acid, hexyl ester, Hexyl hexanoate

Density0.863

Insolubilityin water

Odoroily liq., herbaceous odor

Refractive Index1.4070-1.4090

Molecular weight200.36

Flash Point211 f

Solubilityalcohol

Boiling Point244-246 c

Hexyl Butyrate Natural

CAS2639-63-6

FormulaC10H20O2

Synonymbutanoic acid hexyl ester, N-hexyl N-butanoate, hexyl butanoate, Butanoic acid, hexyl ester, Hexyl butanoate

Density0.851

Melting Point-78 c

Odorapricot-like odor

Refractive Index1.4170

Molecular weight172.27

Flash Point79 c

Boiling Point205 c

Furaneol Natural

CAS3658-77-3

FormulaC6H8O3

Synonymstrawberry furanone, 4-hydroxy-2,5-dimethylfuran-3-one, dimethyl hydroxyfuranone, 4-Hydroxy-2,5-dimethyl-3(2H)-furanone, 2,5-Dimethyl-4-hydroxu-2,3-dihydrofuran-3-one, dimethylhydroxy furanone, 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-, 4-Hydroxy-2,5-dimethylfuran-2(3H)-one

Density1.049

Melting Point78-80 c

Odorpineapple-like odor

Refractive Index1.4390

Molecular weight128.13

Colorcolorless crystal

Flash Point(tcc) 100 c

Boiling Point188 c

Heptanoic Acid Natural

CAS111-14-8

FormulaC7H14O2

Synonymheptoic acid, enanthylic acid, oenanthylic acid, Heptanoic acid, Heptanoic acid

Density0.918

Melting Point-9 c

Odordisagreeable rancid odor

Refractive Index1.4221

Acid Number427 min.

Molecular weight130.19

Colorcolorless oily liquid

Flash Point107 c

Solubility5 gl water

Boiling Point223 c

Ethyl Acetate Natural

CAS141-78-6

FormulaC4H8O2

SynonymAcetic acid, ethyl ester, ethyl ethanoate, ether ethylique, Acetic acid ethyl ester, Ethyl acetate

Density0.902 (204 c)

Surface Tension24 dynescm (20 c)

Slightly Solublein water

Odorfragrant fruity odor, acetous burning taste

Refractive Index1.3723

Molecular weight88.12

Colorcolorless liquid

Flash Point-4.4 c

Solubilitychloroform, alcohol, ether, acetone, benzene, fixed and volatile oils

Boiling Point77 c

Ethyl Benzoate Natural

CAS93-89-0

FormulaC9H10O2

SynonymBenzoic acid, ethyl ester, benzoic ether, ethylbenzoate, Benzoic acid, ethyl ester, Ethyl benzoate

Density1.046 (204 c)

Insolubilityin water, glycerin

Melting Point-34 c

Odorgreen grassy, fruity ester-like, aromatic odor

Refractive Index1.505 (20 c)

Molecular weight150.18

Colorcolorless liquid

Flash Point184 f

Solubilityalcohol, fixed oils, propylene glycol

Boiling Point211-214 c

Cinnamyl Alcohol Natural

CAS104-54-1

FormulaC9H10O

Synonym3-Phenyl-2-propene-1-ol, cinnamic alcohol, 2-Propen-1-ol, 3-phenyl-, Cinnamyl alcohol

Density1.0397 (3535 c)

Melting Point33 c

Odorwh. to ylsh. needles or cryst. mass, hyacinth odor

Refractive Index1.58190

Molecular weight134.19

Flash Point126 c

Solubilitywater, glycerol, propylene glycol, alcohol, ether, other common org. solvs.

Boiling Point250 c

Carvacrol Natural

CAS499-75-2

FormulaC10H14O

Synonym5-isopropyl-2-methyl-phenol, Phenol, 2-methyl-5-(1-methylethyl)-, 2-Methyl-5-(1-methylethyl)phenol, 2-Hydroxy-p-cymene, 5-Isopropyl-o-cresol

Density0.976 (204 c)

Practically Insolublein water

Freely Solublein oxygenated solvs., alcohol, ether

Melting Point0-2 c

Odorspicy thymol odor

Refractive Index1.523 (20 c)

Molecular weight150.22

Colorcolorless to pale yellow thick oily liquid

Boiling Point234-236 c

Acetic Acid Natural

CAS64-19-7

FormulaCH3COOH

SynonymEthylic acid, Acetic Acid Glacial, Natural Acetic Acid, Ethanoic Acid, Acetic acid, Acetic acid

Density1.0492 (204 c)

Viscosity1.22 cps (20 c)

Dielectric Constant61.70

Auto/Self Ignition Temperaturetemp. 463 c

Surface Tension27.42 dynescm

Insolubilityin carbon disulfide

Vapor Pressure11.4 mm hg (20 c)

Melting Point16.63 c

Odorpungent vinegar-like odor

Refractive Index1.3715 (20 c)

Molecular weight60.03

Colorclear colorless liquid

Flash Point(oc) 43 c

Boiling Point118 c (765 mm)

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