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| | 5-METHYL-3-HEXEN-2-ONE Basic information |
| Product Name: | 5-METHYL-3-HEXEN-2-ONE | | Synonyms: | 5-METHYL-3-HEXEN-2-ONE;5-METHYLHEX-3-EN-2-ONE;5-METHYL-3-HEXEN-2-ONE, TECH., 80%;3-Hexen-2-one, 5-methyl-;3-HEXAN-2-ONE,5-METHYL;5-Methyl-2-oxohex-3-ene;5-Methyl-3-hexen-2-one (contains 5-Methyl-4-hexen-2-one);5-Methyl-3-hexen-2-one technical grade, 75% | | CAS: | 5166-53-0 | | MF: | C7H12O | | MW: | 112.17 | | EINECS: | 225-950-5 | | Product Categories: | C7 to C8;Carbonyl Compounds;Ketones | | Mol File: | 5166-53-0.mol |  |
| | 5-METHYL-3-HEXEN-2-ONE Chemical Properties |
| Boiling point | 157°C | | density | 0.85 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.44(lit.) | | FEMA | 3409 | 5-METHYL-3-HEXEN-2-ONE | | Fp | 118 °F | | storage temp. | Storage temp. 2-8°C | | form | clear liquid | | color | Colorless to Light yellow to Light orange | | Odor | at 100.00 %. sweet berry cheese | | Odor Type | fruity | | JECFA Number | 1132 | | InChI | 1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+ | | InChIKey | IYMKNYVCXUEFJE-SNAWJCMRSA-N | | SMILES | CC(C)\C=C\C(C)=O | | LogP | 1.44 | | CAS DataBase Reference | 5166-53-0(CAS DataBase Reference) | | EPA Substance Registry System | 3-Hexen-2-one, 5-methyl- (5166-53-0) |
| Hazard Codes | Xn,T | | Risk Statements | 10-20/21/22-24-20/22 | | Safety Statements | 16-27-36/37/39-45-36/37 | | RIDADR | UN 1992 3/PG 3 | | WGK Germany | 3 | | RTECS | MP8750000 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | III | | HS Code | 2914199090 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 3 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 3 |
| | 5-METHYL-3-HEXEN-2-ONE Usage And Synthesis |
| Occurrence | Reported found in roasted filberts, green tea, cooked and roasted shrimp. | | Uses | 5-Methyl-3-hexen-2-one was used in combinatorial synthesis of mercaptoketones and mercaptoalcohols. | | General Description | 5-methyl-3-hexen-2-one reacts with indole in the presence of pyrrolidine and p-TsOH in CH2Cl2 to yield the 3-substituted indole adduct. |
| | 5-METHYL-3-HEXEN-2-ONE Preparation Products And Raw materials |
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