Basic information
- CAS
28162-25-6- Standard SMILES
Cc1ccc(C(C)(C)C)cc1C(=O)O- InChIKey
XEFUEHGHNVEHAZ-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 5-Tert-butyl-2-methylbenzoic acid
- IUPAC
- 5-tert-butyl-2-methylbenzoic acid
- English name
- 5-tert-butyl-2-methylbenzoic acid
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25424
Names & synonyms
5-tert-butyl-2-methylbenzoic acid28162-25-65-(tert-butyl)-2-methylbenzoic acidAE-562/43287027SCHEMBL10419228DTXSID404290995-(t-Butyl)-2-methylbenZoic acid5-tert-butyl-2-methyl-benzoic acidMFCD09260803SBB091469AKOS006330487CS-0195801
Show more names
E90203F632986
Database identifiers
- CAS
28162-25-6- PubChem CID
- 8167100
- DTXSID
DTXSID40429099
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
安徽合诺生物科技有限公司0555-2761852
南京代盟化工有限公司02566880956 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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