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| IUPAC name : | 1-methyl-4-prop-1-en-2-ylcyclohexene |
| InChI : | InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 |
| InChIKey : | XMGQYMWWDOXHJM-UHFFFAOYAC |
| SMILES : | CC1=CCC(CC1)C(=C)C |
| cas number : | 138-86-3 |
| (EINECS) number : | 205-341-0 |
| eu annex : | 601-029-00-7 |
| beilstein number : | 3587825 |
| fema number : | 2633 |
| coe number : | 491 |
| fl. number : | 01.001 |
| molar refractivity : | 45.35 ± 0.3 cm3 |
| parachor : | 368.2 ± 6.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 25.8 ± 3.0 dyne/cm |
| density : | 0.834 ± 0.06 g/cm3 |
| polarizability : | 17.98 ± 0.5 10-24cm3 |
| XlogP : | 3.70 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
| BioActivity Analysis : | 67720 |
| NMR Predictor : | Predict |
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| export tariff code : | 2902.19.0050 |
| fda reg : | 175.300 175.320 182.60 |
Suppliers :
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| Penta : | dipentene
redistilled |
| Sigma-Aldrich-SAFC : | Dipentene
mixture of isomers, Kosher |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 100.00 %. | citrus herbal terpene camphor |
| odor sample from : | Bush Boake Allen Inc |
| substantivity : | 3 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85600 @ 25.00 °C.
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| boiling point : | 170.00 to 180.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 1.55000 mm/Hg @ 25.00 °C. |
| vapor density : | 4.7 ( Air = 1 ) |
| flash point : | 110.00 °F. TCC ( 43.33 °C. )
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| logP (o/w) : | 4.57 |
| 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. store under nitrogen. |
safety :
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| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
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R 10 - Flammable. R 38 - Irritating to skin. R 43 - May cause sensitisation by skin contact. R 50/53 - Very 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 - 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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| Human experience : | 20 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 5300.00 mg/kg FCTXAV 12,703,1974
Oral-Mouse 5550.00 ul/kg
intravenous-Mouse 1010.00 ul/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 other specification : | < 20 mmoles / liter peroxides |
| IFRA fragrance material specification : |
| | Limonene and natural products containing substantial amounts of it,
should only be used when the level of peroxides is kept to the lowest
practical level, for instance by adding antioxidants at the time of
production. Such products should have a peroxide value of less than 20
millimoles peroxide per liter. (IFRA guidelines). |
safety references :
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| msds : | msds |
| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| IFRA : | IFRA - ( Found under : Limonene ) |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| WISER : | UN 2052 |
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| WGK Germany : | 1 |
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| | 1-methyl-4-prop-1-en-2-ylcyclohexene
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| (EINECS) number : | 205-341-0 |
| RTECS : | OS8100000 for 138-86-3 |
| chemidplus : | 000138863 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 138-86-3 |
references :
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| | 1-methyl-4-prop-1-en-2-ylcyclohexene
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| fl. number : | 01.001 |
| NIST Chemistry WebBook : | 1209486513 |
| pubchem : | 197325 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1988)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| Household Products : | Search |