Basic information
- CAS
6382-07-6- Standard SMILES
CCC(C)(C)c1ccc(OCCO)cc1- InChIKey
BXXDXUTVAFRBKC-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 2-(p-tert-Pentylphenoxy)ethanol
- IUPAC
- 2-[4-(2-methylbutan-2-yl)phenoxy]ethanol
- English name
- p-tert-Amyl phenoxy ethanol
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
2-[4-(1,1-Dimethylpropyl)phenoxy]ethanolp-t-Amylphenoxyethanol2-(p-tert-Pentylphenoxy)ethanol(p-tert-Amylphenoxy)ethanolEthanol, 2-[4-(1,1-dimethylpropyl)phenoxy]-3I9J043Q2CNSC-408020UNII-3I9J043Q2C2-(4-(1,1-Dimethylpropyl)phenoxy)ethanolDTXSID1064299Ethanol, 2-(4-(1,1-dimethylpropyl)phenoxy)-EINECS 228-976-5
Show more names
2-(4-(Tert-pentyl)phenoxy)ethan-1-ol2-[4-(2-methylbutan-2-yl)phenoxy]ethanol2-[4-(2-methylbutan-2-yl)phenoxy]ethan-1-ol
NSC 408020AI3-00449Ethanol, 2-[p-(1,1-dimethylpropyl)phenoxy]-Ethanol, 2-(p-(1,1-dimethylpropyl)phenoxy)-RefChem:84851DTXCID2044137BXXDXUTVAFRBKC-UHFFFAOYSA-N6382-07-6
Database identifiers
- CAS
6382-07-6- PubChem CID
- 80797
- DTXSID
DTXSID1064299- UNII
- 3I9J043Q2C
- EC Number
- 228-976-5
- Nikkaji
- J206.996B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 314.8 · 314.8±25.0 °C(Predicted)
- Density
- 0.988 · 0.988±0.06 g/cm3(Predicted)
- pka
- 14.29 · 14.29±0.10(Predicted)
- FDA UNII
- 3 I9J043Q2C · 3I9J043Q2C
- EPA Substance Registry System
- 2 · Ethanol, 2-[4-(1,1-dimethylpropyl)phenoxy]- (6382-07-6)
- 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 InformationEthanol, 2-[4-(1,1-dimethylpropyl)phenoxy]-: INACTIVE
Suppliers3 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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