4'-Methylacetophenone - CAS 122-00-9
Catalog: |
BB005325 |
Product Name: |
4'-Methylacetophenone |
CAS: |
122-00-9 |
Synonyms: |
1-(4-methylphenyl)ethanone |
IUPAC Name: | 1-(4-methylphenyl)ethanone |
Description: | 4'-Methylacetophenone (CAS# 122-00-9) is a methylated acteophenone used in cosmetics and perfumery. The presence of 4'-Methylacetophenone has been shown to accelerate the photopolymerization of Methyl methacrylate. |
Molecular Weight: | 134.18 |
Molecular Formula: | C9H10O |
Canonical SMILES: | CC1=CC=C(C=C1)C(=O)C |
InChI: | InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3 |
InChI Key: | GNKZMNRKLCTJAY-UHFFFAOYSA-N |
Boiling Point: | 226 °C |
Melting Point: | 22-24 °C |
Flash Point: | 92°C |
Purity: | 95 % |
Density: | 1.005 g/cm3 |
Appearance: | Clear light yellow to yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008751 |
LogP: | 2.19760 |
Refractive Index: | 1.532-1.535 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.22 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021122608-A1 | Low-molecular gelling agent as fragrant substance dispensing system | 20191220 |
WO-2021122684-A1 | Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals | 20191220 |
WO-2021123144-A1 | Pro-perfume compositions | 20191220 |
US-2021189304-A1 | Delivery System For Dryer Balls | 20191219 |
WO-2021120127-A1 | Method for preparing cholesterol, derivative and analogue thereof | 20191219 |
PMID | Publication Date | Title | Journal |
22429095 | 20120411 | Acaricidal toxicity of 2'-hydroxy-4'-methylacetophenone isolated from Angelicae koreana roots and structure-activity relationships of its derivatives | Journal of agricultural and food chemistry |
22356462 | 20120322 | Theoretical and experimental studies on selective oxidation of aromatic ketone by performic acid | The journal of physical chemistry. A |
21936552 | 20111026 | Total synthesis of (+)-erogorgiaene using lithiation-borylation methodology, and stereoselective synthesis of each of its diastereoisomers | Journal of the American Chemical Society |
21517071 | 20110608 | Inhibition of citral degradation by oil-in-water nanoemulsions combined with antioxidants | Journal of agricultural and food chemistry |
21500358 | 20110606 | Syntheses and structures of ruthenium(II) N,S-heterocyclic carbene diphosphine complexes and their catalytic activity towards transfer hydrogenation | Chemistry, an Asian journal |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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