Encyclopedia / Agrochemical Intermediates / Organic Intermediates

2'-Phenoxyacetophenone

CAS：721-04-0
MW:212.248
MF：C14H12O2

Email Tweet Share

Names and ldentifier
Properties
Use and Manufacturing
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2'-Phenoxyacetophenone

1.2 Synonyms: 2-Perfluorhexyl-cyclohexanon; 2-phenoxy-1-phenyl ethanone; 2-Phenoxy-1-phenyl-1-ethanone; 2-Phenoxy-1-phenylethanone; 2-Phenoxyacetophenone; Acetophenone, 2-phenoxy-; Ethanone, 2-phenoxy-1-phenyl-; NSC 7586; phenacyl phenoxide; phenoxymethyl phenyl ketone; Phenyl phenacyl ether; α-Phenoxyacetophenone; ω-Phenoxyacetophenone;

View all

1.3 CAS No.: 721-04-0

1.4 CID: 222171

1.5 Molecular Formula: C14H12O2

1.6 Inchi: InChI=1S/C14H12O2/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10H,11H2

1.7 InChkey: KRSXGTAVHIDVPM-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC=C(C=C1)C(=O)COC2=CC=CC=C2

1.9 Isomers Smiles: C1=CC=C(C=C1)C(=O)COC2=CC=CC=C2

2. Properties

2.1 Solubility: Very 微溶 (0.12 g/L) (25 oC),

2.2 Appearance: White to Light yellow powder to crystal

3. Use and Manufacturing

3.1 Description: 2-phenoxyacetophenone is a 2-aryloxyketone. It derives from an acetophenone.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. Synthesis Route

721-04-0Total: 40 Synthesis Route

98-86-2 326 Suppliers

721-04-0 8 Suppliers

98-88-4 251 Suppliers

721-04-0 8 Suppliers

View all

6. Precursor and Product

precursor:

98-88-4

701-99-5

21273-08-5

4249-72-3

98-86-2

70-11-1

108-95-2

122-59-8

product:

100-51-6

15441-15-3

495-71-6

451-40-1

2122-46-5

14506-41-3

1839-72-1

92-52-4

17537-31-4

60507-03-1

352351-94-1

7. Computed Properties

Molecular Weight：212.248g/mol
Molecular Formula：C₁₄H₁₂O₂
Compound Is Canonicalized：True
XLogP3-AA：212.083729621
Monoisotopic Mass：212.083729621
Complexity：213
Rotatable Bond Count：4
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：：16
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAAAAAADASgmAIwBoAABACIAqBSAAICCAAkIAAIiAFGCMgMJjKENR6COSCkwBEIqYeIyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==