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| IUPAC name : | 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde |
| InChI : | InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3 |
| InChIKey : | SGAWOGXMMPSZPB-UHFFFAOYAY |
| SMILES : | CC1=C(C(CC=C1)(C)C)C=O |
| cas number : | 116-26-7 |
| (EINECS) number : | 204-133-7 |
| beilstein number : | 1932918 |
| fema number : | 3389 |
| coe number : | 10383 |
| jecfa number : | 977 |
| fl. number : | 05.104 |
| molar refractivity : | 47.50 ± 0.3 cm3 |
| parachor : | 373.8 ± 6.0 cm3 |
| index of refraction : | 1.529 ± 0.02 |
| surface tension : | 34.7 ± 3.0 dyne/cm |
| density : | 0.975 ± 0.06 g/cm3 |
| polarizability : | 18.83 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| molecular weight : | 150.2175600 (IUPAC) |
| formula : | C10 H14 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2912.29.0000 |
| fda reg : | unspecified |
Suppliers :
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| AROMOR : | SAFRANAL
NATURE-IDENTICAL Odor: FRESH HERBAL SPICY SWEET AND GREEN ODOR WITH FLORAL AND WOODY NOTES. |
| Bedoukian Research : | SAFRANAL
≥92.0%, Kosher Odor: Sweet, green-floral and somewhat tobacco-herbaceous |
| Organica Aromatics : | SAFRACIN
NLT 90%(sum of isomers) |
| Penta : | safranal
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| Sigma-Aldrich-SAFC : | Safranal
≥88%, FG Odor: herbaceous |
| Vigon : | Safranal
Odor: SPICY, ANISE |
organoleptics :
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| odor type : | herbal |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | fresh herbal spicy sweet metallic tobacco |
| substantivity : | 64 Hour(s) |
properties :
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| appearence : | yellow clear liquid |
| assay : | 92.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96500 to 0.98000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.030 to 8.155
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| refractive index : | 1.52000 to 1.52000 @ 20.00 °C.
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| boiling point : | 70.00 °C. @ 1.00 mm Hg
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| boiling point : | 172.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.07000 mm/Hg @ 20.00 °C. |
| flash point : | 186.00 °F. TCC ( 85.56 °C. )
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| logP (o/w) : | 3.22 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. 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 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Not determined
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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 |
| limits in the finished product for - "leave on the skin contact" : |
| | 0.0050 % Restriction.
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| limits in the finished product for - "wash off the skin contact" : |
| | 0.0050 % Restriction.
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| limits in the finished product for - "no skin contact" : |
| | 0.0500 % Restriction.
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| recommendation for safranal usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| recommendation for safranal usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal (Safranal) ) |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
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| (EINECS) number : | 204-133-7 |
| chemidplus : | 000116267 |
| EPA Substance Registry Services : | 116-26-7 |
references :
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| | 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
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| fl. number : | 05.104 |
| jecfa number : | 977 |
| NIST Chemistry WebBook : | 2620358653 |
| pubchem : | 197277 |
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 |