Basic information
- CAS
70124-98-0- Standard SMILES
CC(C)C(C(=O)O)c1ccc(O)cc1- InChIKey
GDBITPXOESTAML-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.09429431
Overview
2-(4-hydroxyphenyl)-3-methylbutyric acid is a member of phenols. It is functionally related to an isovaleric acid.
Names & identifiers
- Preferred name
- 2-(4-Hydroxyphenyl)-3-methylbutyric acid
- IUPAC
- 2-(4-hydroxyphenyl)-3-methylbutanoic acid
- English name
- 2-(p-Hydroxyphenyl)isovaleric acid
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
2-(4-hydroxyphenyl)-3-methylbutanoic acid70124-98-02-(4-Hydroxyphenyl)-3-methylbutyric acidEINECS 274-323-2SCHEMBL68895CHEBI:39359DTXSID00990356UMA91725AKOS0062716122-(4-hydroxyphenyl)-3-methylbutanoicacidalpha-isopropyl 4-hydroxyphenylacetic acidalpha-isopropyl-4-hydroxyphenylacetic acid
Show more names
PHPIA2-(p-Hydroxyphenyl)isovaleric acid2-(4-Hydroxyphenyl)Isovaleric Acid2-(4-hydroxyphenyl)-3-methylbutyricaci2-(p-Hydroxyphenyl)-3-methylbutanoic acid4-Hydroxy-α-(1-methylethyl)benzeneacetic acidBenzeneacetic acid, 4-hydroxy-α-(1-methylethyl)-4-Hydroxy-alpha-(1-methylethyl)-benzeneacetic acid
NS00061340EN300-1865722Q27119832
Database identifiers
- CAS
70124-98-0- PubChem CID
- 112192
- DTXSID
DTXSID00990356- ChEBI
CHEBI:39359- EC Number
- 274-323-2
- Nikkaji
- J40.096C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 342.8 · 342.8±17.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.10(Predicted)
Chemistry & industry
Applications
Uses2-(4-Hydroxyphenyl)-3-methylbutyric acid is used as an intermediate of fenvalerate and deltamethrin.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers7 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
青州达丰进出口有限公司16773308882 · [email protected]
Additional notes
DefinitionChEBI: 2-(4-hydroxyphenyl)-3-methylbutyric acid is a member of phenols. It is functionally related to an isovaleric acid.
Related reactions
13 records
Compound notes
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