1-(3-(Phenylmethoxy)phenyl)ethan-1-one

HCID 98689CAS 34068-01-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1cccc(OCc2ccccc2)c1
InChIKey
FGQMEAWGAUALJQ-UHFFFAOYSA-N
Molecular formula
C15H14O2
Average molar mass
226.27 g/mol
Monoisotopic mass
226.09937969

Names & identifiers

Preferred name
1-(3-(Phenylmethoxy)phenyl)ethan-1-one
IUPAC
1-(3-phenylmethoxyphenyl)ethanone
English name
3-Benzyloxy acetophenone
Molecular formula
C15H14O2
Molecular weight
226.27

Names & synonyms

1-(3-(Phenylmethoxy)phenyl)ethan-1-one1-[3-(phenylmethoxy)phenyl]ethan-1-oneEthanone, 1-[3-(phenylmethoxy)phenyl]-EINECS 251-816-0Ethanone, 1-(3-(phenylmethoxy)phenyl)-AI3-25499DTXSID40187667NSC 159118RefChem:423177DTXCID00110158251-816-034068-01-4
Show more names
m-benzyloxyacetophenoneTerbutaline Impurity 25Terbutaline Impurity 57Paracetamol Impurity 253-Benzyloxyacetophenone,97%3'-Benzyloxyacetophenone >3''-BENZYLOXYACETOPHENONE 97%
1-(3-(benzyloxy)phenyl)ethanone3'-BENZYLOXYACETOPHENONE3-Benzyloxyacetophenone1-[3-(benzyloxy)phenyl]ethanone1-(3-phenylmethoxyphenyl)ethanone1-[3-(benzyloxy)phenyl]ethan-1-oneMFCD000262211-(3-benzyloxyphenyl)ethanone

Database identifiers

CAS
34068-01-4
PubChem CID
98689
DTXSID
DTXSID40187667
ChEMBL
CHEMBL3770608
EC Number
251-816-0
Nikkaji
J287.855K

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17

Physicochemical properties

Melting point
29 · 29-30 °C
Boiling point
154 °C/0.3mmHg · 154°C/0.3mmHg(lit.)
Density
1.0891 · 1.0891 (rough estimate)
refractive index
1.653 · 1.6530 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Sparingly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Acute 1 (100%)

Safety data

hs_code
29145000
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Related reactions

27 records
New reaction record

Linked notes

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