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| IUPAC name : | 1-methyl-4-propan-2-ylcyclohexa-1,4-diene |
| InChI : | InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3 |
| InChIKey : | YKFLAYDHMOASIY-UHFFFAOYAN |
| SMILES : | CC1=CCC(=CC1)C(C)C |
| cas number : | 99-85-4 |
| (EINECS) number : | 202-794-6 |
| beilstein number : | 2038347 |
| fema number : | 3559 |
| coe number : | 11025 |
| jecfa number : | 1340 |
| fl. number : | 01.020 |
| molar refractivity : | 45.44 ± 0.3 cm3 |
| parachor : | 366.6 ± 6.0 cm3 |
| index of refraction : | 1.475 ± 0.02 |
| surface tension : | 26.8 ± 3.0 dyne/cm |
| density : | 0.845 ± 0.06 g/cm3 |
| polarizability : | 18.01 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
| NMR Predictor : | Predict |
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| export tariff code : | 2902.19.1000 |
| fda reg : | 172.515 |
Suppliers :
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| Berje : | gamma-Terpinene
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| Berje : | gamma-Terpinene
Natural |
| Fleurchem : | gamma-terpinene
natural |
| John D. Walsh : | gamma-Terpinene
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| Moellhausen : | gamma-terpinene
95% min. nature identical kosher Odor: fat, terpenic, lime Flavor: oily, citrus |
| Moellhausen : | gamma-terpinene
95% min. natural kosher |
| Nippon Terpene : | gamma-Terpinene
90% up |
| Penta : | para-mentha-1,4-diene
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| Polarome : | gamma-TERPINENE
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| Sigma-Aldrich-SAFC : | gamma-Terpinene
≥95%, Kosher Odor: herbaceous; citrus |
| Takasago : | gamma-Terpinene
≥97% as gamma-Terpinene Odor: Refreshing, lemony-citrosy |
organoleptics :
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| odor type : | terpenic |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | oily woody terpene lemon/lime tropical herbal |
| odor sample from : | SCM Glidco Organics |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.84100 to 0.84500 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.998 to 7.031
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| refractive index : | 1.47200 to 1.47800 @ 20.00 °C.
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| boiling point : | 181.00 to 183.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 1.09000 mm/Hg @ 25.00 °C. |
| vapor density : | 4.7 ( Air = 1 ) |
| flash point : | 125.00 °F. TCC ( 51.67 °C. )
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| logP (o/w) : | 4.36 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 37/39 - Wear suitable gloves and eye/face protection.
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| Human experience : | 5 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat [sex: M,F] 3650.00 mg/kg (Moreno, 1973ag)
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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) : | 1171.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 321.00 (μg/capita/day) |
| Structure Class : | I |
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| recommendation for gamma-terpinene usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for gamma-terpinene usage levels up to : |
| | 40.0000 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 |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| WISER : | UN 2319 |
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| WGK Germany : | 2 |
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| | 1-methyl-4-propan-2-ylcyclohexa-1,4-diene
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| (EINECS) number : | 202-794-6 |
| RTECS : | OS8070000 for 99-85-4 |
| chemidplus : | 000099854 |
| EPA Substance Registry Services : | 99-85-4 |
| dtp/nci : | 21448 |
references :
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| | 1-methyl-4-propan-2-ylcyclohexa-1,4-diene
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| fl. number : | 01.020 |
| jecfa number : | 1340 |
| NIST Chemistry WebBook : | 1468281627 |
| pubchem : | 150532 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1989)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |