4-tert-butyl toluene
benzene, 1-(1,1-dimethylethyl)-4-methyl-
Identification
| Name | 4-tert-butyl toluene |
| IUPAC | 1-tert-butyl-4-methylbenzene |
| CAS Number | 98-51-1 |
| EINECS | 202-675-9 |
| FDA UNII | 589519D43L |
| Molecular Formula | C11 H16 |
| Molecular Weight | 148.24852000 |
| MDL Number | MFCD00008837 |
| Nikkaji Number | J54.420E |
| Beilstein | 2038670 |
| XlogP3 | 4.50 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86100 to 0.86400 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.173 to 7.198 |
| Refractive Index | 1.49000 to 1.49200 @ 20.00 °C. |
| Melting Point | -52.00 °C. @ 760.00 mm Hg |
| Boiling Point | 190.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.646000 mmHg @ 25.00 °C. (est) |
| Flash Point | 130.00 °F. TCC ( 54.00 °C. ) |
| logP (o/w) | 5.170 |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
No sensory data available
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 1555 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 16934 mg/kg |
| Inhalation Toxicity | inhalation-rat LC50 165 ppm/8H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'BEHAVIORAL: EXCITEMENT\nPERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE']
Safety in Use
| Category | cosmetic fragrance agents and aromatic raw materials |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 4-tert-butyl toluene usage levels up to | 0.0100 % in the fragrance concentrate. |
| Recommendation for 4-tert-butyl toluene flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
benzene, 1-(1,1-dimethylethyl)-4-methyl-
4-tert-
butyl-1-methylbenzene
1-tert-
butyl-4-methylbenzene
4-(tert-
butyl)-1-methylbenzene
p-(t-
butyl)toluene
4-t-
butyltoluene
4-tert-
butyltoluene
p-t-
butyltoluene
p-tert-
butyltoluene
1-(1,1-
dimethylethyl)-4-methylbenzene
1-
methyl-4-(2-methyl-2-propanyl)benzene
1-
methyl-4-tert-butyl benzene
1-
methyl-4-tert-butylbenzene
8-
methyl-p-cymene
8-
methyl-para-cymene
4-
methyl-tert-butyl benzene
p-
methyl-tert-butyl benzene
para-
methyl-tert-butyl benzene
4-
methyl-tert-butylbenzene
PTBT
p-
TBT
toluene, p-t-butyl-
toluene, p-tert-butyl-
PubMed:
Time and temperature effects on the digestive ripening of gold nanoparticles: is there a crossover from digestive ripening to Ostwald ripening?
PubMed:
Partial oxidation of 4-tert-butyltoluene catalyzed by homogeneous cobalt and cerium acetate catalysts in the Br-/H2O2/acetic acid system: insights into selectivity and mechanism.
PubMed:
Environmental green chemistry as defined by photocatalysis.
PubMed:
[Determination of p-tert-butyl toluene in air of working places with gas chromatography].
PubMed:
Four weeks' inhalation exposure of Long Evans rats to 4-tert-butyltoluene: effect on evoked potentials, behaviour, and brain neurochemistry.
PubMed:
Two weeks inhalation exposure to 4-tert-butyltoluene causes persistent changes in visually evoked potentials in rats.
PubMed:
Sensory-evoked potentials as indices of neurotoxicity in the rat: effect of 4-tert-butyltoluene.
PubMed:
The crystal structure of the inclusion complex of cyclomaltoheptaose (beta-cyclodextrin) with 4-tert-butyltoluene.
PubMed:
Neurotoxic properties of musk ambrette.
PubMed:
Metabolism of p-tert.-butyltoluene in the rat and guinea pig.
PubMed:
[Extraction and chromatographic determination of 2,3,6-trichlorotoluene and 2,3,6-trichloro-p-tert-butyltoluene in water].
PubMed:
[Effect of chlorinated paratertiary butyltoluenes on kidney function].
PubMed:
The distribution of 14C-p-tert.-butyltoluene (TBT) following inhalation by the rat: a whole body autoradiographic study.
PubMed:
Uptake, distribution and elimination of p-tert-butyltoluene (TBT) in mice by inhalation.