| Identification | More | [Name]
4-tert-Butyltoluene | [CAS]
98-51-1 | [Synonyms]
1-METHYL-4-TERT-BUTYLBENZENE
1-TERT-BUTYL-4-METHYL BENZENE
4-TERT-BUTYLTOLUENE
p-Methyl-tert-butylbenzene
P-T-BUTYLTOLUENE
P-TERT-BUTYLTOLUENE
tbt
TERT-BUTYL TOLUENE
1-(1,1-dimethylethyl)-4-methyl-benzen
1-(1,1-dimethylethyl)-4-methylbenzene
1-(1,1-Dimethylethyl)-4-methyl-benzene
1-methyl-4-(1,1-dimethylethyl)-benzen
1-methyl-4-(1,1-dimethylethyl)benzene
1-methyl-4-tert-butylbenzene[qr]
1-tert-butyl-4-methylbenzene[qr]
4-(2-methyl-2--propyl)1-methyl-butylbenzene
4-Methyl-tert-butylbenzene
4-methyl-tert-butylbenzene[qr]
4-t-Butyltoluene
4-tert-Butyl-1-Methylbenzene | [EINECS(EC#)]
202-675-9 | [Molecular Formula]
C11H16 | [MDL Number]
MFCD00008837 | [Molecular Weight]
148.24 | [MOL File]
98-51-1.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
-54 °C | [Boiling point ]
191 °C (lit.) | [density ]
0.858 g/mL at 25 °C(lit.)
| [vapor pressure ]
1.3hPa at 30℃ | [refractive index ]
n20/D 1.492(lit.)
| [Fp ]
150 °F
| [storage temp. ]
Flammables area | [solubility ]
0.06 g/100 mL (20°C) | [form ]
Liquid | [color ]
Clear colorless to faint yellow | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents. | [explosive limit]
0.7-7%(V) | [Water Solubility ]
0.06 g/100 mL (20 ºC) | [BRN ]
2038670 | [Henry's Law Constant]
7.8×10-4 mol/(m3Pa) at 25℃, Yaws (2003) | [Dielectric constant]
2.3300000000000001 | [Exposure limits]
ACGIH: TWA 1 ppm
OSHA: TWA 10 ppm(60 mg/m3)
NIOSH: IDLH 100 ppm; TWA 10 ppm(60 mg/m3); STEL 20 ppm(120 mg/m3) | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3 | [InChIKey]
QCWXDVFBZVHKLV-UHFFFAOYSA-N | [SMILES]
Cc1ccc(cc1)C(C)(C)C | [LogP]
4.4 | [Uses]
Solvent, intermediate. | [CAS DataBase Reference]
98-51-1(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Tert-butyltoluene(98-51-1) | [EPA Substance Registry System]
98-51-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS02,GHS07,GHS09 | [Signal word ]
Warning | [Hazard statements ]
H226-H302+H332-H315-H319-H335-H411 | [Precautionary statements ]
P210-P273-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338 | [Hazard Codes ]
Xn,T,N | [Risk Statements ]
R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R23:Toxic by inhalation.
R22:Harmful if swallowed.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [OEB]
A | [OEL]
TWA: 10 ppm (60 mg/m3), STEL: 20 ppm (120 mg/m3) | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
2
| [RTECS ]
XS8400000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29029080 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 | [Safety Profile]
Moderately toxic by
inhalation and ingestion. A skin and human
eye irritant. Human systemic effects by
inhalation: nausea or vomiting, conjunctiva
irritation, unspecified effects on the sense of
taste. Inhalation of vapors causes irritation
of lungs and depression of central nervous
system. Prolonged exposure may result in
damage to liver and kidneys. Flammable
when exposed to heat or flame.
Incompatible with oxidizing materials.
When heated to decomposition it emits
acrid smoke and fumes. | [Hazardous Substances Data]
98-51-1(Hazardous Substances Data) | [IDLA]
100 ppm |
| Hazard Information | Back Directory | [General Description]
Clear colorless liquid with an aromatic gasoline-like odor. | [Reactivity Profile]
P-TERT-BUTYLTOLUENE(98-51-1) may react with oxidizing materials. | [Air & Water Reactions]
Flammable. Insoluble in water. | [Hazard]
Toxic by inhalation, ingestion, and skin
absorption. Eye and upper respiratory tract irritant.
| [Fire Hazard]
This chemical is combustible. | [Description]
p-tert-Butyltoluene is a colorless liquid withan aromatic gasoline-like odor. Molecular weight = 148.18;Boiling point = 193-194℃; Boiling point = 193℃;Freezing/Melting point = - 52℃; Vapor pressure =0.68 mmHg at 20℃; Flash point = 68℃. HazardIdentification (based on NFPA-704 M Rating System):Health 2, Flammability 2, Reactivity 0. Insoluble in water. | [Chemical Properties]
colourless liquid | [Preparation]
Synthesis of 4-tert-butyltoluene: Put toluene in the reaction kettle, add catalyst, then add tert-butane chloride, after the reaction, wash with water and layer, and the organic layer is distilled to obtain the product. Alkylation of isobutylene and toluene in the presence of sulfuric acid can also be used to produce 4-tert-butyltoluene. | [Synthesis Reference(s)]
Synthetic Communications, 21, p. 1273, 1991 DOI: 10.1080/00397919108021046 | [Health Hazard]
p-tert-Butyl toluene is an irritant
of the mucous membranes, a central nervous
system depressant and may cause cardiovascular
and hematologic disturbances; chronic
exposure in animals causes lung, brain, liver,
and kidney damage. | [Potential Exposure]
Human Data;Primary Irritant. This material is used as a solvent for resinsand as an intermediate in organic synthesis. | [First aid]
If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seekmedical attention immediately. If this chemical contactsthe skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove fromexposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing hasstopped and CPR if heart action has stopped. Transferpromptly to a medical facility. When this chemical hasbeen swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. | [Carcinogenicity]
p-tert-Butyl toluene was not mutagenic in
a number of bacterial strains in the Ames assay
with or without metabolic activation. | [storage]
Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Prior to working with thischemical you should be trained on its proper handling andstorage. Store in tightly closed containers in a cool, wellventilated area. Sources of ignition, such as smoking andopen flames, are prohibited where this chemical is used,handled, or stored in a manner that could create a potentialfire or explosion hazard. | [Shipping]
Butyltoluenes require a “POISONOUS/TOXICMATERIALS” label. They fall in Hazard Class 6.1 andPacking Group III.[19, 20] | [Purification Methods]
A sample containing 5% of the meta-isomer is purified by selective mercuration. Fractional distillation of the solid arylmercuric acetate, after removal from the residual hydrocarbon, gives pure p-tert-butyltoluene [Stock & Brown J Am Chem Soc 81 5615 1959]. [Beilstein 5 H 439, 5 III 1003, 5 IV 1079.] | [Incompatibilities]
Forms explosive mixture with air. Reactswith strong oxidizers. May accumulate static electricalcharges and may cause ignition of its vapors |
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