| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one |
| InChI : | InChI=1/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3 |
| InChIKey : | IMKHDCBNRDRUEB-UHFFFAOYAL |
| SMILES : | CC1(CCCC2(C1=CC(=O)O2)C)C |
| (EINECS) number : | 239-390-4 |
| cas number : | 15356-74-8 |
| fema number : | 4020 |
| coe number : | 10931 |
| jecfa number : | 1164 |
| fl. number : | 13.109 |
| molar refractivity : | 50.44 ± 0.4 cm3 |
| parachor : | 413.4 ± 6.0 cm3 |
| index of refraction : | 1.504 ± 0.03 |
| surface tension : | 34.7 ± 5.0 dyne/cm |
| density : | 1.05 ± 0.1 g/cm3 |
| polarizability : | 19.99 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 180.2435400 |
| formula : | C11 H16 O2 |
| BioActivity Analysis : | 464871 |
|
|
| |
| |
| IUPAC name : | (7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one |
| InChI : | InChI=1/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1 |
| InChIKey : | IMKHDCBNRDRUEB-LLVKDONJBM |
| SMILES : | CC1(CCC[C@@]2(C1=CC(=O)O2)C)C |
| cas number : | 38273-56-2 |
| fl. number : | 13.109 |
| molar refractivity : | 50.44 ± 0.4 cm3 |
| parachor : | 413.4 ± 6.0 cm3 |
| index of refraction : | 1.504 ± 0.03 |
| surface tension : | 34.7 ± 5.0 dyne/cm |
| density : | 1.05 ± 0.1 g/cm3 |
| polarizability : | 19.99 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 180.2435400 |
| formula : | C11 H16 O2 |
|
|
| |
| |
| IUPAC name : | (7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one |
| InChI : | InChI=1/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m0/s1 |
| InChIKey : | IMKHDCBNRDRUEB-NSHDSACABD |
| SMILES : | CC1(CCC[C@]2(C1=CC(=O)O2)C)C |
| cas number : | 17092-92-1 |
| coe number : | 10931 |
| fl. number : | 13.109 |
| molar refractivity : | 50.44 ± 0.4 cm3 |
| parachor : | 413.4 ± 6.0 cm3 |
| index of refraction : | 1.504 ± 0.03 |
| surface tension : | 34.7 ± 5.0 dyne/cm |
| density : | 1.05 ± 0.1 g/cm3 |
| polarizability : | 19.99 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 180.2435400 |
| formula : | C11 H16 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | ripe apricot red fruit woody |
| properties : | |
| appearence : | yellow to brown clear liquid |
| assay : | 95.00 - 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.05100 - 1.05800 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.745 to 8.804
|
| refractive index : | 1.49900 - 1.50500 @ 20.00 °C.
|
| boiling point : | 295.00 - 296.00 °C. @ 760.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| logp : | 2.26 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
|
| | |
| recommendation for dihydroactinidolide usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
|
| | |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| publication number : 20. |
| 4020 | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 1.50000 | 1.50000 |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 239-390-4 |
| chemidplus : | 015356748 |
| epa-srs : | 15356-74-8 |
| dtp/nci : | 357087 |
| | |
| chemidplus : | 38273-56-2 |
| epa-srs : | 38273-56-2 |
| | |
| chemidplus : | 081800411 |
| epa-srs : | 17092-92-1 |
| | |
| other : | |
| |
|
| references : | |
| jecfa number : | 1164 |
| fl. number : | 13.109 |
| pubchem : | 169834 |
| NIST Chemistry WebBook : | 3071360353 |
| | |
| fl. number : | 13.109 |
| pubchem : | 10510508 |
| NIST Chemistry WebBook : | 1506994401 |
| | |
| fl. number : | 13.109 |
| pubchem : | 735425 |
| | |