Basic information
- CAS
16094-31-8- Standard SMILES
CC(C)(C)c1ccc(O)c(C(=O)O)c1- InChIKey
XAICWTLLSRXZPB-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 5-(1,1-Dimethylethyl)-2-hydroxybenzoic acid
- IUPAC
- 5-tert-butyl-2-hydroxybenzoic acid
- English name
- 5-(1,1-dimethylethyl)salicylic acid
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
16094-31-85-(1,1-Dimethylethyl)salicylic acidDTXSID60167042RefChem:1072326DTXCID80895335-(1,1-Dimethylethyl)-2-hydroxybenzoic acid240-258-35-tert-Butyl-2-hydroxybenzoic acid5-(tert-butyl)-2-hydroxybenzoic acidBenzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-MFCD001569715-tert-butylsalicylic acid
Show more names
2-Hydroxy-5-tert-butylbenzoic acid5-(1,1-DIMETHYLETHYL)-2-HYDROXY-BENZOIC ACIDJR-8552, 5-Tert-butyl-2-hydroxybenzoic acid, 97%
CHEMBL1895445-tert-Butyl-2-hydroxybenzoicAcid5-tert-Butyl-2-hydroxy-benzoic acidNSC531535-(1,1-Dimethylethyl)salicylicacidEINECS 240-258-3AI3-254235-tert.-Butylsalicylsaure
Database identifiers
- CAS
16094-31-8- PubChem CID
- 85281
- DTXSID
DTXSID60167042- ChEMBL
CHEMBL189544- EC Number
- 240-258-3
- Nikkaji
- J26.983B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 151 °C · 151 °C
- Boiling point
- 324.4 · 324.4±35.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- pka
- 3.34 · 3.34±0.10(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2918290090 · 2918290090
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
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-tert-Butyl-2-hydroxybenzoic Acid is a useful intermediate for the synthesis of salicylic acids and related derivatives.
Suppliers51 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
陕西莱特光电材料股份有限公司88320727 17691239725 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Related reactions
14 records
Compound notes
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