Basic information
- CAS
25735-67-5- Standard SMILES
CCCC(C)c1ccc(O)cc1- InChIKey
JTHGIRIGZAGNOX-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- p-sec-Amylphenol
- IUPAC
- 4-pentan-2-ylphenol
- English name
- p-sec-amylphenol
- Molecular formula
- C11H16O
- Molecular weight
- 164.25
Names & synonyms
p-sec-Amylphenol25735-67-5Phenol, 4-sec-pentyl-4-sec-AmylphenolPhenol, p-sec-amyl-Phenol, p-(sec-pentyl)-P-sec-pentylphenolAI3-26650RefChem:858174Phenol, p-sec-amyl-(6CI)4-(PENTAN-2-YL)PHENOL4-(1-Methylbutyl)phenol
Show more names
PARA-SEC-AMYLPHENOL4-SEC-PENTYL-PHENOLPhenol, p-sec-amyl- (6ci)
94-06-4Phenol, 4-(1-methylbutyl)-4-pentan-2-ylphenolP-(1-METHYLBUTYL)PHENOL4-(2-Pentanyl)phenolPhenol, p-(1-methylbutyl)-NSC-79472-(4-Hydroxyphenyl)pentane
Database identifiers
- CAS
25735-67-5、94-06-4- PubChem CID
- 7171
- DTXSID
DTXSID40904255- UNII
- MCX7ZXE8SC
- Nikkaji
- J539.758H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 49.82 °C · 49.82°C (estimate)
- Boiling point
- 248.86 °C · 248.86°C (estimate)
- Density
- 0.959 · 0.9590 (estimate)
- refractive index
- 1.5115 · 1.5115 (estimate)
- Flash point
- 270 °F · 270°F
- Water Solubility
- 105.3 mg/L · 105.3mg/L(25 ºC)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 4 · Phenol, 4-sec-pentyl- (25735-67-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-sec-pentyl-: INACTIVE
Suppliers5 total
上海陶素生化科技有限公司021-33632979 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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