toluene
mono-methyl benzene
Identification
| Name | toluene |
| IUPAC | toluene |
| CAS Number | 108-88-3 |
| EINECS | 203-625-9 |
| FDA UNII | 3FPU23BG52 |
| Molecular Formula | C7 H8 |
| Molecular Weight | 92.14076000 |
| MDL Number | MFCD00008512 |
| Nikkaji Number | J2.868A |
| Beilstein | 0635760 |
| XlogP3 | 2.70 (est) |
Regulatory
| JECFA Food Additive | Toluene |
| FDA Mainterm (SATF) | 108-88-3 ; toluene |
| FDA Mainterm (IAUFC) | 108-88-3 ; TOLUENE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 99.00 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, 36.00 to 37.00 °C. @ 50.00 mm Hg |
| Vapor Pressure | 27.712000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 3.2 ( Air = 1 ) |
| Flash Point | 39.00 °F. TCC ( 3.89 °C. ) |
| logP (o/w) | 2.730 |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | antioxidants |
Organoleptic Properties
| Odor Description | at 10.00 %. |
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 636 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 14100 ul/kg |
| Inhalation Toxicity | inhalation-rat LC50 49000 mg/m3/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | extraction solvents |
| IFRA Critical Effect | Liver toxicity |
| 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 flavor usage levels up to | not for flavor use. |
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