Basic information
- Standard SMILES
CC(c1ccccc1)c1ccccc1O- InChIKey
WYZIVNCBUWDCOZ-UHFFFAOYSA-N- Molecular formula
- C14H14O
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.10446507
Names & identifiers
- Preferred name
- 2-(1-Phenylethyl)phenol
- IUPAC
- 2-(1-phenylethyl)phenol
- English name
- o-(1-phenylethyl)phenol
- Molecular formula
- C14H14O
- Molecular weight
- 198.26
Names & synonyms
2-(1-Phenylethyl)phenolo-(1-Phenylethyl)phenolPhenol, 2-(1-phenylethyl)-1-(2-Hydroxyphenyl)-1-phenylethane2-(alpha-Methylbenzyl)phenolo-(alpha-Methylbenzyl)phenolo-(.alpha.-Methylbenzyl)phenol2-(.alpha.-Methylbenzyl)phenolPhenol, o-(alpha-methylbenzyl)-UNII-DL454DY9RMNSC 1769Phenol, o-(.alpha.-methylbenzyl)-
Show more names
METHYLBENZYLPHENOL2-(α-Methylbenzyl)phenol
EINECS 224-198-5DL454DY9RMBRN 1871458AI3-08263NSC-1769J166.876EDTXSID908633484-06-00-04708 (Beilstein Handbook Reference)
Database identifiers
- CAS
26857-99-8、4237-44-9- PubChem CID
- 95322
- DTXSID
DTXSID90863348- UNII
- DL454DY9RM
- EC Number
- 224-198-5、248-065-6
- Nikkaji
- J166.876E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
Chemical ClassesAlkylphenol
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Boiling point
- 742.2 °C · 742.2 °C(Press: 300-302 Torr)
- Density
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.07 · 10.07±0.35(Predicted)
- InChI
- InChI=1S/C14H14O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-11,15H,1H3
- InChIKey
- WYZIVNCBUWDCOZ-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC=C1C(C1=CC=CC=C1)C
- FDA UNII
- 454 DY9RM · DL454DY9RM
- EPA Substance Registry System
- 2 · Phenol, 2-(1-phenylethyl)- (4237-44-9)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: Phenol, 2-(1-phenylethyl)-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-(1-phenylethyl)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Linked notes
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