Basic information
- CAS
42288-54-0- Standard SMILES
CC(C)(C)c1cc(CC(=O)O)cc(C(C)(C)C)c1- InChIKey
VOMXJSLQKJJZSU-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- 2-(3,5-Di-tert-butylphenyl)acetic acid
- IUPAC
- 2-(3,5-ditert-butylphenyl)acetic acid
- English name
- (3,5-ditert-butylphenyl)acetic acid
- Molecular formula
- C16H24O2
- Molecular weight
- 248.36
Names & synonyms
42288-54-02-(3,5-Di-tert-butylphenyl)acetic acid2-(3,5-ditert-butylphenyl)acetic acid(3,5-ditert-butylphenyl)acetic acidMFCD09260820(3,5-Di-tert-butylphenyl)acetic acidAE-562/43287080SCHEMBL10717865DTXSID30429104VOMXJSLQKJJZSU-UHFFFAOYSA-N(3,5-Di-t-butylphenyl)acetic acidSBB100466
Show more names
2-(3,5-Di-tert-butylphenyl)essigsaeureBenzeneacetic acid, 3,5-bis(1,1-diMethylethyl)-
2-(3,5-Di-tert-butylphenyl)aceticacid2-(35-Di-tert-butylphenyl)acetic acid2-[3,5-bis(tert-butyl)phenyl]acetic acidDB-362013
Database identifiers
- CAS
42288-54-0- PubChem CID
- 8167134
- DTXSID
DTXSID30429104- Nikkaji
- J3.357.154B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 319 · 319.0±11.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.31 · 4.31±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers11 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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