| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | oxolan-2-ylmethanol |
| InChI : | InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2 |
| InChIKey : | BSYVTEYKTMYBMK-UHFFFAOYAA |
| SMILES : | C1CC(OC1)CO |
| cas number : | 97-99-4 |
| (EINECS) number : | 202-625-6 |
| eu annex : | 603-061-00-7 |
| beilstein number : | 0102723 |
| fema number : | 3056 |
| coe number : | 2029 |
| jecfa number : | 1443 |
| fl. number : | 13.020 |
| molar refractivity : | 26.28 ± 0.3 cm3 |
| parachor : | 245.8 ± 4.0 cm3 |
| index of refraction : | 1.447 ± 0.02 |
| surface tension : | 39.0 ± 3.0 dyne/cm |
| density : | 1.038 ± 0.06 g/cm3 |
| polarizability : | 10.41 ± 0.5 10-24cm3 |
| XlogP : | -0.10 |
| molecular weight : | 102.1317000 (IUPAC) |
| formula : | C5 H10 O2 |
| BioActivity Analysis : | 79318 |
| NMR Predictor : | Predict |
|
|
| |
|
| IUPAC name : | [(2R)-oxolan-2-yl]methanol |
| InChI : | InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1 |
| InChIKey : | BSYVTEYKTMYBMK-RXMQYKEDBY |
| SMILES : | C1C[C@@H](OC1)CO |
| cas number : | 97-99-4 (R) |
| eu annex : | 603-061-00-7 |
| molar refractivity : | 26.28 ± 0.3 cm3 |
| parachor : | 245.8 ± 4.0 cm3 |
| index of refraction : | 1.447 ± 0.02 |
| surface tension : | 39.0 ± 3.0 dyne/cm |
| density : | 1.038 ± 0.06 g/cm3 |
| polarizability : | 10.41 ± 0.5 10-24cm3 |
| XlogP : | -0.10 |
| molecular weight : | 102.1317000 (IUPAC) |
| formula : | C5 H10 O2 |
| NMR Predictor : | Predict |
|
|
| |
|
| IUPAC name : | [(2S)-oxolan-2-yl]methanol |
| InChI : | InChI=1/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m0/s1 |
| InChIKey : | BSYVTEYKTMYBMK-YFKPBYRVBG |
| SMILES : | C1C[C@H](OC1)CO |
| cas number : | 97-99-4 (S) |
| eu annex : | 603-061-00-7 |
| molar refractivity : | 26.28 ± 0.3 cm3 |
| parachor : | 245.8 ± 4.0 cm3 |
| index of refraction : | 1.447 ± 0.02 |
| surface tension : | 39.0 ± 3.0 dyne/cm |
| density : | 1.038 ± 0.06 g/cm3 |
| polarizability : | 10.41 ± 0.5 10-24cm3 |
| XlogP : | -0.10 |
| molecular weight : | 102.1317000 (IUPAC) |
| formula : | C5 H10 O2 |
| NMR Predictor : | Predict |
|
|
| |
|
| export tariff code : | 2932.19.0000 |
| fda reg : | 172.515 175.105 176.180 176.210 |
Suppliers :
|
| Penta : | tetrahydrofurfuryl alcohol
|
| SAFC Global® : | Tetrahydrofurfuryl alcohol
≥98%, Kosher Odor: vegetable |
organoleptics :
|
| odor type : | vegetable |
| odor strength : | medium |
odor description: at 100.00 %. | vegetable cauliflower faint warm oily caramel Luebke, William tgsc, (1987) |
taste description:
| coffee nut at .03-1 ppm |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.05000 to 1.05200 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.737 to 8.754
|
| refractive index : | 1.45200 to 1.45300 @ 20.00 °C.
|
| melting point : | -80.00 °C. @ 760.00 mm Hg
|
| boiling point : | 178.00 to 179.00 °C. @ 760.00 mm Hg
|
| acid value : | 3.00 max. KOH/g
|
| vapor pressure : | 0.80100 mm/Hg @ 25.00 °C. |
| vapor density : | 3.52 ( Air = 1 ) |
| flash point : | 183.00 °F. TCC ( 83.89 °C. )
|
| logP (o/w) : | -0.11 |
safety :
|
| most important hazard(s) : | Xi - Irritant |
| |
R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 25 - Avoid contact with eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
|
| Oral Toxicity(LD50) : | |
| |
Oral-Rat 4500.00 mg/kg (Gajewski & Alsdorf, 1949)
Intraperitoneal-Rat 400.00 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed.
intravenous-Rabbit 725.00 mg/kg Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 8, Pg. 294, 1949.
Oral-Mouse 2300.00 mg/kg Hygiene and Sanitation Vol. 32(2), Pg. 273, 1967.
Oral-Guineapig 800.00 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed.
Intraperitoneal-Guineapig 400.00 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed.
|
| Dermal Toxicity(LD50) : | |
| |
Skin-Guineapig 5000.00 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed.
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
safety in use :
|
| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 33.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 22.00 (μg/capita/day) |
| |
| recommendation for tetrahydrofurfuryl alcohol flavor usage levels up to : |
| | 20.0000 ppm in the flavor.
|
safety references :
|
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| |
| WGK Germany : | 2 |
| |
| |
| |
| | oxolan-2-ylmethanol |
| (EINECS) number : | 202-625-6 |
| RTECS : | 97-99-4 |
| chemidplus : | 000097994 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 97-99-4 |
| dtp/nci : | 15434 |
| | [(2R)-oxolan-2-yl]methanol |
| | [(2S)-oxolan-2-yl]methanol |
references :
|
| | oxolan-2-ylmethanol |
| fl. number : | 13.020 |
| jecfa number : | 1443 |
| NIST Chemistry WebBook : | 836608660 |
| pubchem : | 150424 |
| | [(2R)-oxolan-2-yl]methanol |
| pubchem : | 43541485 |
| | [(2S)-oxolan-2-yl]methanol |
| pubchem : | 587979 |
Cosmetics :
|
| Cosmetic uses : |
masking agents
solvents
|
other :
|
| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |