Molecular properties
- Formula
- C11H16
- Molar mass
- 148.25 g·mol−1
- Exact mass
- 148.1252 Da
- 4
- PubChem CID
- 33711
Molecule record
1-tert-butyl-3-methylbenzene
C11H16
148.25 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Methyl-3-tert-butylbenzene
- 1-methyl-3-tert-butyl-benzene
- 1-tert-butyl-3-methyl-benzene
- 1075-38-3
- 3-tert-Butyltoluene
- 677-961-3
- Benzene, 1-(1,1-dimethylethyl)-3-methyl-
- MFCD00059210
Show all 24 synonyms
- NSC23700
- RefChem:505413
- SCHEMBL1561562
- SCHEMBL1777557
- SCHEMBL28141491
- SCHEMBL2869063
- SCHEMBL29714909
- SCHEMBL348758
- SCHEMBL349313
- SCHEMBL4330647
- SCHEMBL6348674
- SCHEMBL887637
- SCHEMBL933375
- Toluene, m-tert-butyl-
- butyltoluol
- m-tert-Butyltoluene
Structure identifiers
- Canonical SMILES
- Cc1cccc(C(C)(C)C)c1
- Isomeric SMILES
- CC1=CC(=CC=C1)C(C)(C)C
- InChI
- InChI=1S/C11H16/c1-9-6-5-7-10(8-9)11(2,3)4/h5-8H,1-4H3
- InChIKey
- JTIAYWZZZOZUTK-UHFFFAOYSA-N
- PubChem CID
- 33711
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-tert-butyl-3-methylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-tert-butyl-3-methylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.