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| IUPAC name : | 3-methylsulfanylpropan-1-ol |
| InChI : | InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3 |
| InChIKey : | CZUGFKJYCPYHHV-UHFFFAOYAC |
| SMILES : | CSCCCO |
| cas number : | 505-10-2 |
| (EINECS) number : | 208-004-6 |
| fema number : | 3415 |
| coe number : | 11554 |
| jecfa number : | 461 |
| fl. number : | 12.062 |
| molar refractivity : | 30.11 ± 0.3 cm3 |
| parachor : | 258.6 ± 4.0 cm3 |
| index of refraction : | 1.479 ± 0.02 |
| surface tension : | 35.4 ± 3.0 dyne/cm |
| density : | 1.001 ± 0.06 g/cm3 |
| polarizability : | 11.93 ± 0.5 10-24cm3 |
| XlogP : | 0.90 |
| molecular weight : | 106.1866000 |
| formula : | C4 H10 O S |
| BioActivity Analysis : | 69451 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Advanced Biotech : | methionol
98% min. natural Odor: Meaty, Onion |
| Apple : | 3-Methylthiopropanol
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| Endeavour : | 3-(Methylthio)propanol
99% |
| Fleurchem : | methionol (3 methyl thio-propanol)
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| Fontarome : | METHIONOL
Odor: Powerful and sweet soup or meat-like |
| Frutarom : | 3-(METHYLTHIO)PROPANOL (METHIONOL)
≥99.00%, NI, Kosher Odor: Meaty, Sweet, Vegetable |
| Mooreganics : | Methionol
Natural (Organic Compliant) |
| Penta : | 3-(methylthio) propanol
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| Sigma-Aldrich-SAFC : | 3-(Methylthio)-1-propanol
≥98%, Kosher, FG Odor: earthy; alliaceous (onion, garlic); vegetable; meaty |
| Treatt : | 3-Methylthiopropanol
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organoleptics :
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| odor type : | meaty |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in propylene glycol. | sulfury onion sweet soup vegetable |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.02500 to 1.17000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.529 to 9.736
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| specific gravity : | 1.02700 to 1.03300 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.546 to 8.596
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| refractive index : | 1.48300 to 1.49300 @ 20.00 °C.
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| boiling point : | 89.00 to 90.00 °C. @ 13.00 mm Hg
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| boiling point : | 194.00 to 195.00 °C. @ 760.00 mm Hg
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| vapor density : | 3.6 ( Air = 1 ) |
| flash point : | 195.00 °F. TCC ( 90.56 °C. )
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| logP (o/w) : | 0.40 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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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 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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 2.80 (μg/capita/day) |
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| recommendation for 3-(methyl thio) propanol usage levels up to : |
| | not for fragrance use.
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| recommendation for 3-(methyl thio) propanol usage levels up to : |
| | 30.0000 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 |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 3-methylsulfanylpropan-1-ol
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| (EINECS) number : | 208-004-6 |
| chemidplus : | 000505102 |
| EPA Substance Registry Services : | 505-10-2 |
| dtp/nci : | 2859 |
references :
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| | 3-methylsulfanylpropan-1-ol
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| fl. number : | 12.062 |
| jecfa number : | 461 |
| NIST Chemistry WebBook : | 3126468396 |
| pubchem : | 153733 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |