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| IUPAC name : | (5E)-6,10-dimethylundeca-5,9-dien-2-one |
| InChI : | InChI=1/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+ |
| InChIKey : | HNZUNIKWNYHEJJ-FMIVXFBMBN |
| SMILES : | CC(=CCC/C(=C/CCC(=O)C)/C)C |
| cas number : | 3796-70-1 |
| (EINECS) number : | 223-269-8 |
| beilstein number : | 1722277 |
| fema number : | 3542 |
| coe number : | 11088 |
| jecfa number : | 1122 |
| fl. number : | 07.123 |
| molar refractivity : | 62.10 ± 0.3 cm3 |
| parachor : | 521.2 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 27.7 ± 3.0 dyne/cm |
| density : | 0.855 ± 0.06 g/cm3 |
| polarizability : | 24.62 ± 0.5 10-24cm3 |
| XlogP : | 3.60 |
| molecular weight : | 194.3131800 (IUPAC) |
| formula : | C13 H22 O |
| BioActivity Analysis : | 476573 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.19.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | geranyl acetone
97% min. (mixed isomers) natural |
| Bedoukian Research : | GERANYL ACETONE
≥96.5% (sum of isomers), Kosher Odor: fresh, rose, magnolia-type Adds a nice tropical fruit note with pear, rose, woody undertones. Flavor: green fruity Used in cherry, stone fruits, pear, apple, peach, raspberry, coconut and tomato flavors. |
| Hofmen : | Geranyl acetone
95% |
| Moellhausen : | geranyl acetone
97% min. nature identical kosher Odor: fruity-floral, rosy, green magnolia |
| Penta : | cis-geranyl acetone
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| SAFC Global® : | 6,10-Dimethyl-5,9-undecadien-2-one
≥97%, FG, Kosher Odor: apple; rose; woody; green; vegetable |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description: at 100.00 %. | fresh green fruity waxy rose woody magnolia tropical Luebke, William tgsc, (2007) |
| odor sample from : | Penta International Corporation |
odor description:
| Green, fruity, waxy, woody, pear, rosy and guava with tropical nuances Mosciano, Gerard P&F 23, No. 1, 33, (1998) |
taste description: at 12.00 ppm. | Floral, fruity, fatty, green, pear, apple and banana with tropical nuances Mosciano, Gerard P&F 23, No. 1, 33, (1998) |
| substantivity : | 192 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86200 to 0.87000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.173 to 7.239
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| refractive index : | 1.46200 to 1.47000 @ 20.00 °C.
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| boiling point : | 92.00 to 93.00 °C. @ 2.50 mm Hg
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| boiling point : | 247.00 to 250.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.00600 mm/Hg @ 20.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 4.13 |
| shelf life : | 12.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
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R 38 - Irritating to skin. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Oral Toxicity(LD50) : | |
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Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit >5.00 gm/kg
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 41.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 2.00 (μg/capita/day) |
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| recommendation for (E)-geranyl acetone fragrance usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for (E)-geranyl acetone flavor usage levels up to : |
| | 12.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| msds : | msds |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | (5E)-6,10-dimethylundeca-5,9-dien-2-one |
| (EINECS) number : | 223-269-8 |
| RTECS : | RG5920000 for cas# 3796-70-1 |
| chemidplus : | 003796701 |
| EPA Substance Registry Services : | 3796-70-1 |
| dtp/nci : | 406679 |
references :
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| | (5E)-6,10-dimethylundeca-5,9-dien-2-one |
| fl. number : | 07.123 |
| jecfa number : | 1122 |
| NIST Chemistry WebBook : | 4107054982 |
| pubchem : | 162538 |
| Flavornet : | 3796-70-1 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |