5-METHYL-3-HEXEN-2-ONE
5-METHYL-3-HEXEN-2-ONE structure
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Common Name | 5-METHYL-3-HEXEN-2-ONE | ||
|---|---|---|---|---|
| CAS Number | 5166-53-0 | Molecular Weight | 112.17000 | |
| Density | 0.85 g/mL at 25 °C(lit.) | Boiling Point | 157°C | |
| Molecular Formula | C7H12O | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 118 °F | |
| Symbol |
GHS02, GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-methyl-3-hexen-2-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.85 g/mL at 25 °C(lit.) |
|---|---|
| Boiling Point | 157°C |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.17000 |
| Flash Point | 118 °F |
| Exact Mass | 112.08900 |
| PSA | 17.07000 |
| LogP | 1.78760 |
| Index of Refraction | n20/D 1.44(lit.) |
| InChIKey | IYMKNYVCXUEFJE-UHFFFAOYSA-N |
| SMILES | CC(=O)C=CC(C)C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H226-H302 + H332-H311 |
| Precautionary Statements | P280-P312 |
| Hazard Codes | Xn |
| Risk Phrases | 10-20/21/22 |
| Safety Phrases | S16-S27-S36/37/39-S45 |
| RIDADR | UN 1992 3/PG 3 |
| WGK Germany | 3 |
| RTECS | MP8750000 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 2914190090 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914190090 |
|---|---|
| Summary | 2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Organocatalytic C3-selective Friedel-Crafts alkylations of indoles with alpha,beta-unsaturated ketones.
Chem. Commun. (Camb.) (7) , 799-801, (2006) The use of an equimolar amount of pyrrolidine and HClO4 (30 mol%) was found to be effective in promoting the conjugate addition of indoles to (E)-alpha,beta-unsaturated ketones, affording the correspo... |
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Combinatorial synthesis and sensorial properties of polyfunctional thiols.
J. Agric. Food Chem. 49(11) , 5445-9, (2001) Over the past few years, polyfunctional thiols present as trace components have been found to play a major role in many food flavors, due to their exceptionally low odor thresholds. Unfortunately, the... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-methyl-3-hexen-5-one |
| trans-5-methyl-3-hexen-2-one |
| 5-methyl-3-hexen-2-on |
| 2-Oxo-5-methylhex-3-ene |
| MFCD00012166 |
| 5-METHYLHEX-3-EN-2-ONE |
| 3-HEXAN-2-ONE,5-METHYL |
| EINECS 225-950-5 |
| 5-Methyl-3-hexene-2-one |
| trans-5-methyl-3-hexen-1-one |
| 5-Methyl-2-oxohex-3-ene |
| 3-Hexen-2-one,5-methyl |
| 5-methyl-trans-3-hexen-2-one |
| trans-5-methylhex-3-en-2-one |
| 3-Hexen-2-one,5-Me |
| 5-Methyl-3-hexen-2-one |
| FEMA 3409 |
| 5-methyl-hexene-2-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 5-methyl-3-hexen-2-one? |
| A: CAS number of 5-methyl-3-hexen-2-one is 5166-53-0. |
| Q: What is the InChIKey of 5-methyl-3-hexen-2-one? |
| A: InChIKey of 5-methyl-3-hexen-2-one is IYMKNYVCXUEFJE-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 5-methyl-3-hexen-2-one? |
| A: SMILES notation of 5-methyl-3-hexen-2-one is CC(=O)C=CC(C)C. |
| Q: What is the English name of 5-methyl-3-hexen-2-one? |
| A: The English name of 5-methyl-3-hexen-2-one is 5-methyl-3-hexen-2-one. |
| Q: What English synonyms does 5-methyl-3-hexen-2-one have? |
| A: English synonyms of 5-methyl-3-hexen-2-one: 2-methyl-3-hexen-5-one, trans-5-methyl-3-hexen-2-one, 5-methyl-3-hexen-2-on, 2-Oxo-5-methylhex-3-ene, MFCD00012166, 5-METHYLHEX-3-EN-2-ONE, 3-HEXAN-2-ONE,5-METHYL, EINECS 225-950-5, 5-Methyl-3-hexene-2-one, trans-5-methyl-3-hexen-1-one, 5-Methyl-2-oxohex-3-ene, 3-Hexen-2-one,5-methyl, 5-methyl-trans-3-hexen-2-one, trans-5-methylhex-3-en-2-one, 3-Hexen-2-one,5-Me, 5-Methyl-3-hexen-2-one, FEMA 3409, 5-methyl-hexene-2-one. |
| Q: What is the boiling point of 5-methyl-3-hexen-2-one? |
| A: Boiling point of 5-methyl-3-hexen-2-one is 157°C. |
| Q: What is the safety information for 5-methyl-3-hexen-2-one? |
| A: Safety information for 5-methyl-3-hexen-2-one: S16-S27-S36/37/39-S45. |
| Q: What is the molecular formula of 5-methyl-3-hexen-2-one? |
| A: Molecular formula of 5-methyl-3-hexen-2-one is C7H12O. |
| Q: What is the LogP of 5-methyl-3-hexen-2-one? |
| A: LogP of 5-methyl-3-hexen-2-one is 1.78760. |
| Q: What is the molecular weight of 5-methyl-3-hexen-2-one? |
| A: Molecular weight of 5-methyl-3-hexen-2-one is 112.17000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |