3-Benzylphenol

HCID 140897
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Basic information

CAS
22272-48-6
Standard SMILES
Oc1cccc(Cc2ccccc2)c1
InChIKey
JKFDELMIGLPLAX-UHFFFAOYSA-N
Molecular formula
C13H12O
Average molar mass
184.23 g/mol
Monoisotopic mass
184.088815

Names & identifiers

Preferred name
3-Benzylphenol
IUPAC
3-benzylphenol
English name
3-Benzylphenol
Molecular formula
C13H12O
Molecular weight
184.23

Names & synonyms

3-Benzylphenol22272-48-6DTXSID80176818RefChem:277073DTXCID10993093-Benzyl-phenolMFCD00036116p-oxy-diphenylmethaneSCHEMBL1531575SCHEMBL5542316SCHEMBL6544944SCHEMBL8602727
Show more names
Phenol, 3-(phenylmethyl)-
SCHEMBL8802101CHEMBL4289303SCHEMBL19304741SCHEMBL28775338SCHEMBL30471604AKOS006273484CS-W021846DS-10977

Database identifiers

CAS
22272-48-6
PubChem CID
140897
DTXSID
DTXSID80176818
ChEMBL
CHEMBL4289303
Nikkaji
J83.169G

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
55 °C · 55 °C
Boiling point
183 · 183-184 °C(Press: 11 Torr)
Density
1.101 · 1.101±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
10.03 · 10.03±0.10(Predicted)
form
liquid

Safety & regulation

Safety data

hs_code
2907199090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Suppliers38 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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