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| IUPAC name : | (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one |
| InChI : | InChI=1/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1 |
| InChIKey : | ULDHMXUKGWMISQ-SECBINFHBY |
| SMILES : | CC1=CC[C@H](CC1=O)C(=C)C |
| cas number : | 6485-40-1 |
| (EINECS) number : | 229-352-5 |
| beilstein number : | 2206714 |
| fema number : | 2249 |
| coe number : | 146 |
| jecfa number : | 380.2 |
| fl. number : | 07.147 |
| molar refractivity : | 45.48 ± 0.3 cm3 |
| parachor : | 373.3 ± 6.0 cm3 |
| index of refraction : | 1.481 ± 0.02 |
| surface tension : | 29.8 ± 3.0 dyne/cm |
| density : | 0.940 ± 0.06 g/cm3 |
| polarizability : | 18.03 ± 0.5 10-24cm3 |
| XlogP : | 1.70 |
| XlogP3-AA : | 2.40 |
| molecular weight : | 150.2175600 (IUPAC) |
| formula : | C10 H14 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.29.0000 |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | L-carvone
98% min. natural |
| Advanced Biotech : | L-carvone
synthetic |
| Berje : | laevo-Carvone
|
| Citrus and Allied Essences : | laevo-Carvone
88/90% (natural) |
| Citrus and Allied Essences : | laevo-Carvone
FCC |
| Fleurchem : | l-carvone
natural |
| Fleurchem : | l-carvone
|
| John D. Walsh : | Leavo-Carvone
|
| Moellhausen : | laevo-carvone
98% min. nature identical kosher Odor: fresh, herbal; characteristic spearmint note. |
| Penta : | l-carvone
|
| Penta : | laevo-carvone
natural |
| Polarome : | laevo-CARVONE
FCC |
| Robertet : | Carvone laevo (L-1-methyl-4-isopropanyl-6-cyclohexen-2-one)
naturel |
| SAFC Global® : | L-Carvone
≥97%, FCC, Kosher Odor: minty; herbaceous |
| Vigon : | Carvone Laevo
FCC |
organoleptics :
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| odor type : | minty |
| odor strength : | medium |
odor description: at 100.00 %. | sweet spearmint herbal Luebke, William tgsc, (1993) |
| odor sample from : | Ungerer & Company, Inc. |
| substantivity : | 24 hour(s) at 100.00 % |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
|
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.95600 to 0.96000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.955 to 7.988
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| refractive index : | 1.49500 to 1.49900 @ 20.00 °C.
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| optical rotation : | -62.00 to -57.00
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| boiling point : | 227.00 to 230.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.40000 mm/Hg @ 20.00 °C. |
| vapor density : | 5.2 ( Air = 1 ) |
| flash point : | 192.00 °F. TCC ( 88.89 °C. )
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| logP (o/w) : | 2.71 |
| 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) : | Xn - Harmful. |
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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 46 - If swallowed, seek medical advice immediately and show this container or label.
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| Human experience : | 1% No irritation or sensitization. |
| Oral Toxicity(LD50) : | |
| |
Oral-Rat 1640.00 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 1057, 1973.
intravenous-Mouse 56.00 mg/kg NIOSH Exchange Chemicals. Vol. NX#02834
Oral-Guineapig 766.00 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 1057, 1973.
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
| |
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) : | 2390.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 9900.00 (μg/capita/day) |
| Structure Class : | II |
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| Fragrance usage is IFRA 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 : See Note (1) | 0.08 % (1) | Category 2 : | 0.10 % |
| Category 3 : | 0.40 % | Category 4 : | 1.20 % |
| Category 5 : | 0.60 % | Category 6 : See Note (1) | 1.90 % (1) |
| Category 7 : | 0.20 % | Category 8 : | 2.00 % |
| Category 9 : | 5.00 % | Category 10 : | 2.50 % |
| Category 11 : | See Note (2) |
| | Notes : |
| | (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). |
| | (2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product. |
| recommendation for laevo-carvone flavor usage levels up to : |
| | 850.0000 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 |
| IFRA : | IFRA - ( Found under : Carvone ) |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one |
| (EINECS) number : | 229-352-5 |
| RTECS : | OS8650000 for cas# 6485-40-1 |
| chemidplus : | 006485401 |
| EPA Substance Registry Services : | 6485-40-1 |
references :
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| Leffingwell : | chirality |
| | (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one |
| fl. number : | 07.147 |
| jecfa number : | 380.2 |
| pubchem : | 165566 |
| Flavornet : | 6485-40-1 |
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 |