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CAS

Formula

Allyl phenethyl ether

CAS14289-65-7

FormulaC11H14O

SynonymMYCOLIDE, [2-(2-propenyloxy)ethyl]-benzen, [2-(2-propenyloxy)ethyl]-Benzene, allyl phenethyl ether, Benzene, 2-(2-propenyloxy)ethyl-, NSC 70009, 2-Propenylphenethyl ether, Phenethylallyl ether, MYCOLIDE, Allyl phenethyl ether, [2-(2-Propenyloxy) ethyl] benzene

Molecular weight162.23

EINECS238-212-2

Isobutyric anhydride

CAS97-72-3

FormulaC8H14O3

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

2-Phenyl-2-Propanol

CAS617-94-7

FormulaC9H12O

Synonyma,a-Dimethylbenzenemethanol, 2-phenyl-2-propanol, a,a-Dimethylbenzyl alcohol, 2-Phenylpropan-2-ol, 2-Phenylisopropanol, 1-methyl-1-phenylethanol, 2-Propanol, 2-phenyl-, a-Cumyl alcohol, Benzyl alcohol, a,a-dimethyl-, Dimethylphenylcarbinol, Dimethylphenylmethanol, 1-Hydroxycumene, Phenyldimethylcarbinol, 2-Hydroxy-2-phenylpropane, NSC 1261, NSC 212537, a-Cumyl alcohol, Benzenemethanol, a,a-dimethyl-, Benzyl alcohol, a,a-dimethyl-, a,a-Dimethylbenzenemethanol, a,a-Dimethylbenzyl alcohol, Dimethylphenylcarbinol Dimethylphenylmethanol, 1-Hydroxycumene, 1-Methyl-1-phenylethanol, Phenyldimethylcarbinol, Phenyl isopropanol 2-Phenylisopropanol, 2-Phenyl-2-propanol, 2-Propanol, 2-phenyl-

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

Molecular weight136.19

4-Methoxybenzonitrile

CAS874-90-8

FormulaC8H7NO

Synonymp-Anisonitrile, p-Anisylnitrile, p-Cyanoanisole, p-Methoxybenzonitrile, p-Methoxyphenyl cyanide, 4-Cyanoanisole, 4-Methoxybenzonitrile, Anisonitrile, 4-Methoxybenzonitril, NSC 3777, NSC 71539, 1-Cyano-4-methoxybenzene, p-Anisonitrile, p-Anisylnitrile, 4-Cyanoanisole, p-Cyanoanisole, p-Mehoxybenzonitrile, 4-Methoxybenzonitrile p-Methoxyphenyl cyanide

Molecular weight133.15

InChI1S/C8H7NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3

n-Tridecane

CAS629-50-5

FormulaC13H28

Synonymn-Tridecane, Tridecane, n-, n-Tridecane, Tridecane

Molecular weight184.36

InChI1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3

n-Pentadecane

CAS629-62-9

FormulaC15H32

Synonymn-Pentadecane, CH3(CH2)13CH3, Pentadecane, n-Pentadecane

Molecular weight212.41

InChI1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3

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

Cedrenyl acetate

CAS1405-92-1

FormulaC17H26O2

Synonym[3R-(3a,3aß,7ß,8aa)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate, [3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate, 1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, acetate, (3R,3aS,7R,8aS)-, [3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-Hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulen-6-methylacetat, 7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, acetate, [3R-(3.alpha.,3a.beta1H-3a, Acetic acid [[(3R)-2,3,4,7,8,8aß-hexahydro-3ß,8,8-trimethyl-1H-3aa,7a-methanoazulen]-6-yl]methyl ester, [3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate, Cedrenyl acetate, (3R-(3a,3ab,7b,8aa))-2,3,4,7,8,8a-Hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate

Molecular weight262.39

EINECS215-789-9

InChI1S/C17H26O2/c1-10-6-7-15-16(4,5)13-8-17(10,15)9-14(11(13)2)19-12(3)18/h10,13-15H,2,6-9H2,1,3-5H3/t10-,13+,14?,15?,17-/m0/s1

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

Cuminyl nitrile

CAS13816-33-6

FormulaC10H11N

SynonymBenzonitrile, p-isopropyl-, Cuminyl nitrile, p-Cyanocumene, p-Isopropylbenzonitrile, 4-(1-Methylethyl)benzonitrile, 4-Isopropylbenzonitrile, 4-ISOPROPYLBENZONITRILE, CUMINYL NITRILE, CUMIN NITRILE, 3-isopropylbenzonitrile, 4-(1-methylethyl)-benzonitril, 4-(1-Methylethyl)benzonitrile, 4-(1-methylethyl)-Benzonitrile, Benzonitrile, p-isopropyl-, 4-ISOPROPYLBENZONITRILE, 3-Isopropylbenzonitrile, 4-(1-Methylethyl)benzonitrile, 4-09-00-01846 (Beilstein Handbook Reference), Benzonitrile, 4-(1-methylethyl)-, BRN 1932883, Cuminic nitrile, Cuminonitrile, Cuminyl nitrile, EINECS 237-492-3, p-Cyanocumene, p-Isopropylbenzonitrile, UNII-4V31KQF934, 4-Isopropylbenzonitrile, Benzonitrile, 4-(1-methylethyl)-, Benzonitrile, p-isopropyl-, Cuminyl nitrile, Cumin nitrile, p-Cyanocumene, 4-Isopropylbenzonitrile, 4-(1-Methyl ethyl)-1-benzene carbonitrile, 4-(1-Methyl ethyl) benzonitrile

Molecular weight145.20

EINECS237-492-3

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

InChI1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3

1,5,9-Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

CAS13786-79-3

FormulaC15H24O

Synonym1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene, 1,5,9-Trimethylcyclododeca-1,5,9-trieneepoxide, 13-Oxabicyclo10.1.0trideca-4,8-diene, 1,5,9-trimethyl-, 1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-8-diene, 8-diene, 1,5,9-trimethyl-13-Oxabicyclo[10.1.0]trideca-4, 1,2-Epoxy-1,5,9-trimethyl-5,9-cyclododecadiene, Einecs 237-443-6, 13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-, EINECS 237-443-6, Trimethyl-13-oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-Trimethyl-13-oxabicyclo(10.1.0)trideca-4,8-diene, 13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-, 1,5,9-Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

Molecular weight220.35

EINECS237-443-6

SMILESC=1CC[C@@]2(O[C@@H]2CCC(=CCCC1C)C)C

InChI1S/C15H24O/c1-12-6-4-7-13(2)9-10-14-15(3,16-14)11-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8+,13-7+

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

2,2,4,6,6-Pentamethylheptane

CAS13475-82-6

FormulaC12H26

SynonymHeptane, 2,2,4,6,6-pentamethyl-, Permethyl 99A, 2,2,4,6,6-Pentamethylheptane, EC 236-757-0, EINECS 236-757-0, UNII-A8289P68Y2, 2,2,4,6,6-Pentamethylheptane, Heptane, 2,2,4,6,6-pentamethyl-, 2,2,4,6,6-Pentamethylheptane, Heptane, 2,2,4,6,6-pentamethyl-

InChI1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3

Boiling Point177.8 ° C

Atmospheric OH Rate Constant6.93E-12 cm3/molecule-sec

Melting Point-6.70E+01 ° C

log P (octanol-water)5.940

Molecular weight170.33

SMILESC(CC(CC(C)(C)C)C)(C)(C)C

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

Ionone, methyl-

CAS1335-46-2

FormulaC14H22O

SynonymIonone, methyl-, Methyl ionone

Molecular weight206.33

SMILESO=C(CC)\C=C\[C@@H]1C(C)=CCCC1(C)C

Phenylpropanol

CAS1335-12-2

FormulaC9H12O

SynonymPhenylpropanol, 1-Phenyl-1-propanol, 1-Propanol, 1-phenyl-

Molecular weight137.20

SMILESCCCO.c1(ccccc1)[*]

Phenylpropionaldehyde

CAS1335-10-0

FormulaC9H10O

SynonymPhenylpropionaldehyde, Phenylpropanal, Propanal, phenyl-

Molecular weight134.18

Isopropylquinoline

CAS1333-53-5

FormulaC12H13N

Synonym6-Isopropyl quinoline, EINECS 215-595-4, Isopropyl quinoline, Lichenol, p-Isopropyl quinoline, UNII-23B37EI60S, Isopropylquinoline, Quinoline, (1-methylethyl)-, Quinoline, isopropyl-, Isopropylquinoline, Lichenol, (1-Methyl ethyl) quinoline

Molecular weight171.24

SMILESCC(c1c2c(ncc1)cccc2)C

Anisyl alcohol

CAS1331-81-3

FormulaC8H10O2

SynonymEINECS 215-561-9, UNII-NT090XT6TE, Anisyl alcohol (o-,m-,p-), Benzenemethanol, ar-methoxy-, Anisyl alcohol, Anisic alcohol, Anisyl alcohol (o-, m-, p-), 4-Methoxybenzyl alcohol (o-, m-, p-)

Molecular weight138.17

SMILESCOc1ccccc1CO

Didehydropinane

CAS1330-16-1

FormulaC10H16

SynonymDidehydropinane, Bicyclo [3.1.1] heptane, 2,6,6-trimethyl-, didehydro deriv., Pinane, didehydro deriv., 2,6,6-Trimethylbicyclo [3.1.1] hept-2-ene

Molecular weight136.23

Dihydrogeranylacetone

CAS1322-58-3

FormulaC13H24O

SynonymDihydrogeranylacetone, 6,10-Dimethylundecen-2-one, Floral undecenone, Tetrameran

Molecular weight196.33

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

Methyl abietate

CAS127-25-3

FormulaC21H32O2

SynonymMethyl 7,13-Abietadien-18-oate, Abietic acid, methyl ester, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4aß,4ba,10aa)]-, Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester, Wood rosin, methyl ester, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-, NSC 2141, Methyl abietate, Abietic acid methyl ester, Methyl [1R-(1a,4ab,4ba,10aa)]-1,2,3,4,41,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate, Methyl ester of wood rosin, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1a,4ab,4ba,10aa)]-, Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester Wood rosin, methyl ester

Molecular weight316.48

SMILESCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C

InChI1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17?,18?,20?,21-/m0/s1

log P (octanol-water)6.750

Melting Point< 25 ° C

Boiling Point362.5 ° C

Atmospheric OH Rate Constant2.77E-10 cm3/molecule-sec

Isobutyl heptyl ketone

CAS123-18-2

FormulaC12H24O

Synonym2,6,8-Trimethyl-4-nonanone, 2,6,8-trimethylnonan-4-one, Isobutyl heptyl ketone, 4-Nonanone, 2,6,8-trimethyl-, 2,6,8-Trimethyl-4-nonanone, Trimethyl 4-nonanone

Molecular weight184.32

InChI1S/C12H24O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-11H,6-8H2,1-5H3

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

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

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