Basic information
- CAS
13159-16-5- Standard SMILES
OCCC/C=C/c1ccccc1- InChIKey
QBQBSEZWJAWWCT-WEVVVXLNSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
Overview
formed from 5-phenyl-4-pentenyl hydroperoxide by plant & animal peroxidases; structure given in first source
Names & identifiers
- Preferred name
- 5-Phenylpent-4-enyl-1-ol
- IUPAC
- (E)-5-phenylpent-4-en-1-ol
- English name
- 5-phenylpent-4-enyl-1-ol
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
13159-16-55-Phenylpent-4-enyl-1-ol5-Phenyl-4-pentenyl-1-alcoholRefChem:913576(E)-5-phenylpent-4-en-1-ol5-Phenyl-4E-pentenol4-Penten-1-ol, 5-phenyl-, (4E)-37464-86-15-phenylpent-4-en-1-ol4-Penten-1-ol, 5-phenyl-(E)-5-phenyl-4-penten-1-ol4-Penten-1-ol,5-phenyl-
Show more names
1-Phenyl-1-penten-5-ol(4E)-5-PHENYLPENT-4-EN-1-OLSCHEMBL95441trans5-phenyl-4-penten-1-olorb3133294SCHEMBL5470587trans-5-phenyl-4-penten-1-ol(E)-5-phenyl-pent-4-en-1-ol
Database identifiers
- CAS
13159-16-5、37464-86-1- PubChem CID
- 5371695
- Nikkaji
- J2.577.088I、J473.431I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 10 mg/ml · DMF: >10 mg/ml (from PPHP); DMSO: >7 mg/ml (from PPHP); Ethanol: >10 mg/ml (from PPHP); PBS pH 7.2: >540 μg/ml (from PPHP)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
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
- Danger
- Symbol(GHS)
- GHS02
Chemistry & industry
Applications
DescriptionPPA is the product of peroxidase-catalyzed reduction of PPHP. It can be used as a reference standard for HPLC analysis of peroxidase assays.
Uses5-Phenyl-4E-pentenol is a product of the peroxidase-catalyzed reduction of PPHP. 5-Phenyl-4E-pentenol can be rapidly isolated by solid phase extraction and quantified by isocratic reversed-phase high performance liquid chromatography (HPLC) with UV detection. 5-Phenyl-4E-pentenol is a fluorescent dye that can be used to determine the kinetic properties of heme-containing and non-heme peroxidases and to evaluate the ability of oxidative compounds to serve as substrates for peroxidase reduction.[1].
Suppliers5 total
MedBio脉铂医药021-69568360 18916172912 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
4 records
Compound notes
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