| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | [(2E)-3,7-dimethylocta-2,6-dienyl] (E)-but-2-enoate |
| InChI : | InChI=1/C14H22O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h5,7-8,10H,6,9,11H2,1-4H3/b7-5+,13-10+ |
| InChIKey : | MQTAGIYIVBMTBT-XZUSAQEFBH |
| SMILES : | C\C=C\C(=O)OC\C=C(/C)\CCC=C(C)C |
| (EINECS) number : | 260-027-0 |
| cas number : | 56172-46-4 |
| molar refractivity : | 68.54 ± 0.3 cm3 |
| parachor : | 567.8 ± 4.0 cm3 |
| index of refraction : | 1.474 ± 0.02 |
| surface tension : | 29.5 ± 3.0 dyne/cm |
| density : | 0.912 ± 0.06 g/cm3 |
| polarizability : | 27.17 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 222.3232800 |
| formula : | C14 H22 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | caramellic |
| odor strength : | medium |
odor description¹ :
at 100.00 %. | sweet caramel maple fruity almond acorns nutty |
| substantivity : | 51 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| boiling point : | 302.00 - 303.00 °C. @ 760.00 mm Hg
|
| logp : | 5.18 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
|
| | |
| flash point ( Deg. F. ) : | 292.00 °F. TCC ( 144.44 °C. )
|
| | |
| recommendation for geranyl crotonate usage levels up to : | | | 10.0000 % in the fragrance concentrate.
|
| | |
| recommendation for geranyl crotonate usage levels up to : | | | not for flavor use.
|
| | |
| safety links : | |
| (EINECS) number : | 260-027-0 |
| chemidplus : | 056172464 |
| epa-srs : | 56172-46-4 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 182440 |
| | |
| reference : | Luebke, William tgsc, (1984)¹ |
|
| synonyms : |
| 2- | butenoic acid 3,7-dimethyl-2,6-octadienyl ester | | | crotonic acid geraniol ester | | ((2E)-3,7- | dimethyl octa-2,6-dienyl) (E)-but-2-enoate | | 3,7- | dimethyl-2-trans, 6-octadienyl crotonate | | trans-3,7- | dimethyl-2,6-octadien-1-ol 2-butenoate | | (E,E)-3,7- | dimethyl-2,6-octadienyl 2-butenoate | | (E)-3,7- | dimethyl-2,6-octadienyl 2-butenoate | | trans-3,7- | dimethyl-2,6-octadienyl 2-butenoate | | | geranyl crotonate | | (E)- | geranyl crotonate | | | geranyl-2-butenoate | | (E)- | neryl crotonate |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| | acetoin |
| 2- | acetyl furan |
| | acetyl propionyl |
| 3- | acetyl-2,5-dimethyl furan |
| 2- | acetyl-3,4,5,6-tetrahydropyridine |
| 2- | acetyl-3,5(or 6)-dimethyl pyrazine |
| | acorn acetate |
| | allyl 2-furoate |
| iso | amyl 3-(2-furan) propionate |
| | benzyl disulfide |
| | berry furanone |
| | butyl levulinate |
| 2-oxo | butyric acid |
| gamma- | butyrolactone |
| | caramel dione |
| | caramel furanone |
| | caramel pentadione |
| | cyclohexyl acetic acid |
| | diacetyl |
| 2,5- | diethyl tetrahydrofuran |
| alpha,alpha- | dimethyl anisyl acetone |
| 2,3- | dimethyl pyrazine |
| | ethyl (E)-crotonate |
| | ethyl 2-hydroxy-2-methyl butyrate |
| | ethyl 4-pentenoate |
| | ethyl cyclopentenolone |
| | ethyl maltol |
| | ethyl pyruvate |
| (E)- | ethyl tiglate |
| | ethyl vanillin |
| 5- | ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one |
| 5- | ethyl-3,4,5,6-tetramethyl cyclohexen-2-one |
| | fenugreek absolute |
| | fenugreek oleoresin |
| | fenugreek resinoid |
| | furfuryl acetone |
| | furfuryl alcohol |
| | furfuryl octanoate |
| | furfuryl valerate |
| gamma- | heptalactone |
| 2,4- | hexadien-1-ol |
| 3,4- | hexane dione |
| 5- | hydroxymethyl furfural |
| | immortelle absolute |
| | levulinic acid |
| | maltol |
| | maltyl propionate |
| | mango furanone |
| | maple furanone |
| | maple lactone |
| | menthone lactone |
| | mesitene lactone |
| 3- | methyl butyl 2-furyl butyrate |
| | methyl cyclopentenolone |
| 5- | methyl furfural |
| 4- | methyl-2,6-dimethoxyphenol |
| 2- | methyl-3-(methyl thio) pyrazine |
| | nutty cyclohexenone |
| | peanut oxazole |
| 2- | pentanoyl furan |
| 3- | propylidene phthalide |
| | rosefuran |
| | shoyu furanone |
| | strawberry furanone |
| | strawberry furanone acetate |
| | tetrahydrofurfuryl acetate |
| | tetrahydrofurfuryl alcohol |
| 2- | thiophene thiol |
| (E)- | tiglic acid |
| | toffee furanone |
| | tonka bean absolute |
| | tonka bean resinoid |
| (E,E)-2,4- | undecadien-1-al |
| 2,4- | undecadien-1-al |
| iso | valeraldehyde propylene glycol acetal |
| | vanilla oleoresin |
| | vanillyl isobutyrate |
| (odor and/or flavor) used in : |
| | acorn | | | caramel | | | herbal | | | leaf autumn leaf | | | maple |
| natural occurrence in : |
| not found in nature |
|