| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | toluene |
| InChI : | InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey : | YXFVVABEGXRONW-UHFFFAOYAT |
| SMILES : | CC1=CC=CC=C1 |
| cas number : | 108-88-3 |
| (EINECS) number : | 203-625-9 |
| eu annex : | 601-021-00-3 |
| beilstein number : | 0635760 |
| molar refractivity : | 31.07 ± 0.3 cm3 |
| parachor : | 244.9 ± 4.0 cm3 |
| index of refraction : | 1.499 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.871 ± 0.06 g/cm3 |
| polarizability : | 12.32 ± 0.5 10-24cm3 |
| XlogP : | 2.70 |
| molecular weight : | 92.1384200 |
| formula : | C7 H8 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2902.30.0000 |
| fda reg : | unspecified |
organoleptics :
|
odor description : at 10.00 %. | sweet |
properties :
|
| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86500 @ 25.00 °C.
|
| melting point : | -95.00 to -94.00 °C. @ 760.00 mm Hg
|
| boiling point : | 110.00 to 111.00 °C. @ 760.00 mm Hg
|
| boiling point : | 36.00 to 37.00 °C. @ 50.00 mm Hg
|
| vapor pressure : | 28.40000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.2 ( Air = 1 ) |
| flash point : | 39.00 °F. TCC ( 3.89 °C. )
|
| logP (o/w) : | 2.73 |
safety :
|
| most important hazard(s) : | Xn - Harmful. |
| |
R 11 - Highly flammable. R 20 - Harmful by inhalation. R 38 - Irritating to skin. R 48 - Danger of serious damage to health by prolonged exposure. R 63 - Possible risk of harm to the unborn child. R 65 - Harmful: may cause lung damage if swallowed. R 67 - Vapours may cause frowsiness and dizziness. S 01/02 - Keep locked up and out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. 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 36/37 - Wear suitable protective clothing and gloves. S 46 - If swallowed, seek medical advice immediately and show this container or label. S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
|
| Oral Toxicity(LD50) : |
| |
Oral-Rat 636.00 mg/kg Neurotoxicology. Vol. 2, Pg. 567, 1981.
intravenous-Rat 1960.00 mg/kg Medicina del Lavoro. Industrial Medicine. Vol. 54, Pg. 486, 1963.
Intraperitoneal-Rat 1332.00 mg/kg Environmental Research. Vol. 40, Pg. 411, 1986.
|
| Dermal Toxicity(LD50) : |
| |
Skin-Rabbit 14100.00 ul/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
|
| Inhalation Toxicity(LC50) : |
| |
Inhalation-Rat 49000.00 mg/m3/4H Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 23, 1988.
Inhalation-Rabbit 55000.00 ppm/40M Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 69, 1944.
|
| |
safety in use :
|
| |
| IFRA critical Effect : | Liver toxicity |
| IFRA fragrance material specification : |
| | The level of toluene has to be kept as low as practicable and should never exceed 100 ppm in the fragrance compound. |
| recommendation for toluene usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
|
| recommendation for toluene usage levels up to : |
| | not for flavor use.
|
safety references :
|
| EPI System : | view |
| EPA-Iris : | IRIS |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| IFRA : | IFRA - ( Found under : Toluene ) |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| WISER : | UN 1294 |
| |
| WGK Germany : | 2 |
| |
| |
| |
| | toluene
|
| (EINECS) number : | 203-625-9 |
| RTECS : | 108-88-3 |
| chemidplus : | 000108883 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 108-88-3 |
references :
|
| | toluene
|
| pubchem : | 151075 |
Cosmetics :
|
| Cosmetic uses : |
antioxidants
solvents
|
other :
|
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| Household Products : | Search |