Molekula
tert-Butylbenzene, 99%
Supplying 4,500+ customers in over 80 countries
ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 1999 · Listed pack sizes are a starting point — we manufacture, source and repack to the quantity you need
tert-Butylbenzene (99%) is an aromatic hydrocarbon used primarily as a solvent and intermediate in organic synthesis, particularly for producing pharmaceuticals, agrochemicals, and specialty polymers. It is also employed in fuel additives and as a chemical building block for fine chemicals. This tert-butylbenzene has a CAS number of 98-06-6, molecular formula C10H14, and a molecular weight of 134.22 g/mol. It is stored at ambient conditions and carries a signal word of "Warning" under GHS classification. Molekula supplies tert-Butylbenzene from research to bulk quantities with full documentation and ISO 9001:2015 traceability.
Example image for illustration only. Other packaging and pack sizes are available.
Pricing & pack sizes
Pack sizes & pricing
Pricing on request — packs available from research to bulk quantities.
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Prices exclude VAT/sales tax and shipping.
Specifications
| Property | Value |
|---|---|
| Appearance | Clear colourless to yellow liquid |
| Assay (GC) | ≥98.5% |
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | Ambient |
| Flash Point | 34 °C |
| Transport Class | 3 |
| Packing Group | III |
| Acidity | Acid |
Literature values
Published physical properties of the substance, not batch specifications.
| Property | Value |
|---|---|
| Appearance | Liquid |
| Melting Point | -57.8 °C |
| Boiling Point | 169.1 °C |
| Water Solubility | 29.5 mg/L at 25 °C |
| Solubility (other solvents) | Insoluble in water; very soluble in ethanol and ethyl ether; miscible in acetone |
| Vapour Pressure | 2.20 mmHg at 25 °C |
| Refractive Index | 1.49235 |
| log P (octanol/water) | 4.11 |
Source: PubChem CID 7366 (HSDB)
Identification
| Property | Value |
|---|---|
| SKU | 90035247 |
| CAS Number | 98-06-6 |
| IUPAC Name | tert-butylbenzene |
| EC Number | 202-632-4 |
| Molecular Formula | C10H14 |
| Molecular Weight | 134.22 |
| Exact Mass | 134.1096 |
| SMILES | CC(C)(C)C1=CC=CC=C1 |
| InChIKey | YTZKOQUCBOVLHL-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3 |
| PubChem CID | 7366 |
| UN Number | UN2709 |
| REACH Code | Y110 |
| TSCA Listed | Yes |
| HTS Code | 2902.90.90.00 |
| Tariff Code | 2902900000 |
Safety & GHS
-
Flammable
GHS02
-
Health Hazard
GHS07
-
Hazardous to the Environment
GHS09
Hazard statements
- H226 Flammable liquid and vapour
- H303 May be harmful if swallowed
- H315 Causes skin irritation
- H400 Very toxic to aquatic life
- H410 Very toxic to aquatic life with long lasting effects
Precautionary statements
- P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
- P264 Wash thoroughly after handling
- P273 Avoid release to the environment
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P302+352 IF ON SKIN: Wash with soap and water
Documents
Safety Data Sheets (SDS)
Available in English, French, German, Italian, Spanish.
Certificate of Analysis (CoA) by batch
Enter a lot or batch number to retrieve the CoA for that specific batch. We can generate one from spec data if no PDF is on file.
Quality certificates
Molekula Group is certified to ISO 9001:2015 (quality) and ISO 14001:2015 (environmental management), audited by a UKAS-accredited body. Both certificates are valid to 17 May 2028.
Synonyms
- (1,1-dimethylethyl)benzene
- 2-Methyl-2-phenylpropane
- Benzene, (1,1-dimethylethyl)-
- Benzene, tert-butyl-
- Dimethylethylbenzene
- Phenyltrimethylmethane
- Pseudobutylbenzene
- T-BUTYLBENZENE
- tertiary-Butylbenzene
- Trimethylphenylmethane
Frequently asked questions
What is tert-Butylbenzene used for?
tert-Butylbenzene is primarily used as a solvent, in the production of synthetic rubber, and as a precursor in the synthesis of pharmaceuticals and agrochemicals.
What is the chemical formula and molecular weight of tert-Butylbenzene?
The chemical formula is C10H14, and the molecular weight is 134.22 g/mol.
How should tert-Butylbenzene be stored?
Store at ambient temperature in a tightly sealed container, away from sources of ignition and incompatible materials.
What purity grades of tert-Butylbenzene does Molekula supply?
Molekula supplies tert-Butylbenzene with a specified assay of ≥98.5% (GC).
Can Molekula supply tert-Butylbenzene in bulk quantities?
Yes, Molekula can supply tert-Butylbenzene in bulk, with quantities tailored to your requirements.
What documentation comes with an order of tert-Butylbenzene?
Each order includes a Certificate of Analysis (CoA), Material Safety Data Sheet (MSDS), and a product specification sheet.
Is tert-Butylbenzene, 99% dangerous goods for shipping?
Yes. tert-Butylbenzene, 99% ships as dangerous goods: UN2709, class 3, packing group III.
Ready to order or need a custom pack?
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