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| IUPAC name : | [(2E)-3,7-dimethylocta-2,6-dienyl] butanoate |
| InChI : | InChI=1/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+ |
| InChIKey : | ZSBOMYJPSRFZAL-JLHYYAGUBZ |
| SMILES : | CCCC(=O)OC\C=C(/C)\CCC=C(C)C |
| cas number : | 106-29-6 |
| (EINECS) number : | 203-381-3 |
| fema number : | 2512 |
| coe number : | 274 |
| jecfa number : | 66 |
| fl. number : | 09.048 |
| molar refractivity : | 68.48 ± 0.3 cm3 |
| parachor : | 580.6 ± 4.0 cm3 |
| index of refraction : | 1.460 ± 0.02 |
| surface tension : | 29.1 ± 3.0 dyne/cm |
| density : | 0.897 ± 0.06 g/cm3 |
| polarizability : | 27.14 ± 0.5 10-24cm3 |
| XlogP : | 4.10 |
| molecular weight : | 224.3391600 (IUPAC) |
| formula : | C14 H24 O2 |
| pherobase : | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.60.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | geranyl butyrate
92% min. natural |
| Berje : | Geranyl Butyrate
|
| Cargill - Alfrebro : | GERANYL BUTYRATE (EU NAT)
natural, Kosher |
| Citrus and Allied Essences : | Geranyl Butyrate Extra
FCC |
| Citrus and Allied Essences : | Geranyl Butyrate
85 |
| Elan : | geranyl butyrate
FCC, Kosher |
| Fleurchem : | geranyl butyrate
natural |
| Frutarom : | GERANYL BUTYRATE
≥98.00% (sum of isomers), NI, Kosher Odor: Floral, Fresh, Fruity, Rose, Sweet |
| Grau Aromatics : | GERANYL-BUTYRATE
FCC, NI, Kosher |
| Inoue : | GERANYL BUTYRATE S
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| Mane : | geranyl butyrate
|
| Moellhausen : | geranyl butyrate
95% min. nature identical kosher Odor: fruity-floral, rose- and apple-like Flavor: fruity, rosy, apple-like |
| Penta : | geranyl butyrate
|
| Penta : | geranyl butyrate
natural |
| Robertet : | Geranyl butyrate
naturel |
| Sigma-Aldrich-SAFC : | Geranyl butyrate
FCC, Kosher Odor: apple; rose; sweet |
| Sigma-Aldrich-SAFC : | Geranyl butyrate
natural Odor: apple; rose; sweet |
| Vigon : | Geranyl Butyrate
98% |
| Vigon : | Geranyl Butyrate
85% |
| Vigon : | Geranyl Butyrate
60% |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description¹ : at 100.00 %. | sweet fruity rose waxy raspberry tropical |
| odor sample from : | CA Aromatics Company Inc. |
odor description³ : at 100.00 %. | Sweet, fresh fruity, waxy, raspberry, peach, apricot, tropical notes with a green nuance |
taste description³ : at 5.00 ppm. | Sweet, fruity, green, slightly floral, with a lingering tropical fruity after taste |
| substantivity : | 88 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 92.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.88900 to 0.90400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.397 to 7.522
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| specific gravity : | 0.89100 to 0.89900 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.423 to 7.489
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| refractive index : | 1.45500 to 1.46200 @ 20.00 °C.
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| boiling point : | 151.00 to 153.00 °C. @ 18.00 mm Hg
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| boiling point : | 242.00 to 243.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.00200 mm/Hg @ 20.00 °C. |
| vapor density : | 7.7 ( Air = 1 ) |
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 5.17 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. 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.
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| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Gavage-Rat [sex: M/F] 10660.00 mg/kg (Jenner et al., 1964)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 5000.00 mg/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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 52.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 25.00 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for geranyl butyrate fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for geranyl butyrate flavor usage levels up to : |
| | 10.0000 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... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | [(2E)-3,7-dimethylocta-2,6-dienyl] butanoate |
| (EINECS) number : | 203-381-3 |
| RTECS : | ES9990000 for cas# 106-29-6 |
| chemidplus : | 000106296 |
| EPA Substance Registry Services : | 106-29-6 |
| dtp/nci : | 70177 |
references :
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| | [(2E)-3,7-dimethylocta-2,6-dienyl] butanoate |
| fl. number : | 09.048 |
| jecfa number : | 66 |
| NIST Chemistry WebBook : | 302891022 |
| pubchem : | 150890 |
| Flavornet : | 106-29-6 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1993)¹ |
| reference : | Mosciano, Gerard P&F 26, No. 1, 52, (2001)³ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |