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| IUPAC name : | 3,7-dimethyloct-6-en-1-ol |
| InChI : | InChI=1/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3 |
| InChIKey : | QMVPMAAFGQKVCJ-UHFFFAOYAO |
| SMILES : | CC(CCC=C(C)C)CCO |
| cas number : | 141-25-3 |
| (EINECS) number : | 205-473-9 |
| fema number : | 2980 |
| coe number : | 76 |
| fl. number : | 02.027 |
| molar refractivity : | 49.77 ± 0.3 cm3 |
| parachor : | 427.5 ± 4.0 cm3 |
| index of refraction : | 1.450 ± 0.02 |
| surface tension : | 28.5 ± 3.0 dyne/cm |
| density : | 0.845 ± 0.06 g/cm3 |
| polarizability : | 19.73 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| molecular weight : | 156.2652000 (IUPAC) |
| formula : | C10 H20 O |
| BioActivity Analysis : | 74395 |
| NMR Predictor : | Predict |
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| export tariff code : | 2905.22.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Berje : | Rhodinol Ex Geranium
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| Berje : | Rhodinol
Synthetic |
| Moellhausen : | rhodinol
95% min. nature identical kosher Odor: floreal, rose, geranium, fruity, slightly fatty note |
| Penta : | rhodinol pure extra
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| Penta : | rhodinol
synthetic |
| Penta : | rhodinol
natural |
| Sigma-Aldrich-SAFC : | Rhodinol
FCC, Mixture of l-citronellol and geraniol, Kosher Odor: lemon; musty; oily; fruity; rose; sweet; waxy; wine-like |
| Vigon : | Rhodinol 70
Odor: CLEAN, ROSE |
| Vigon : | Rhodinol Pure
ex Geranium Bourbon Odor: FLORAL, ROSE, CITRUS, FAINT |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description :¹ at 100.00 %. | floral red rose spicy waxy powdery geranium |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 236 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 70.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.86400 to 0.87200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.189 to 7.256
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| specific gravity : | 0.86500 to 0.87300 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.206 to 7.273
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| refractive index : | 1.46500 to 1.47000 @ 20.00 °C.
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| optical rotation : | -5.00 to -10.00
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| boiling point : | 68.00 to 70.00 °C. @ 1.80 mm Hg
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| vapor pressure : | 0.02700 mm/Hg @ 20.00 °C. |
| flash point : | 210.00 °F. TCC ( 98.89 °C. )
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| logP (o/w) : | 3.38 |
| shelf life : | 24.00 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 43 - May cause sensitisation by skin contact. R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 37 - Wear suitable gloves. 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 5540.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| IFRA critical Effect : | Sensitization |
| Fragrance usage is RESTRICTED to : |
| Please review all IFRA documents for complete information. (QRA) |
| IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
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| Category 1 : | 0.80 % (1) | Category 2 : | 1.10 % |
| Category 3 : | 4.40 % | Category 4 : | 13.30 % |
| Category 5 : | 7.00 % | Category 6 : | 21.40 % (1) |
| Category 7 : | 2.20 % | Category 8 : | 2.00 % |
| Category 9 : | 5.00 % | Category 10 : | 2.50 % |
| Category 11 : | See Note | |
| | (1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). |
| | Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product. For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case rhodinol) must not exceed 5% in the candle. |
| recommendation for rhodinol usage levels up to : |
| | 30.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 3,7-dimethyloct-6-en-1-ol
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| (EINECS) number : | 205-473-9 |
| RTECS : | RH3410000 for 141-25-3 |
| chemidplus : | 000141253 |
| EPA Substance Registry Services : | 141-25-3 |
| dtp/nci : | 8779 |
references :
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| | 3,7-dimethyloct-6-en-1-ol
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| fl. number : | 02.027 |
| NIST Chemistry WebBook : | 2756935551 |
| pubchem : | 151990 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1987)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |