Heptan-4-one
4-Heptanone
CAS: 123-19-3
Molecular Formula: C7H14O
Heptan-4-one - Names and Identifiers
| Name | 4-Heptanone |
| Synonyms | dpk BUTYRONE FEMA 2544 FEMA 2546 4-Heptanon Heptan-4-on (n-C3H7)2CO 4-Heptanone heptan-4-one Heptan-4-one 4-Oxoheptane Dipropylketon HEPTANONE, 2- DIPROPYL KETONE Di-n-propylketon Di-n-propyl ketone METHYL N-AMYL KETONE METHYL PENTYL KETONE |
| CAS | 123-19-3 |
| EINECS | 204-608-9 |
| InChI | InChI=1/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 |
| InChIKey | HCFAJYNVAYBARA-UHFFFAOYSA-N |
Heptan-4-one - Physico-chemical Properties
| Molecular Formula | C7H14O |
| Molar Mass | 114.19 |
| Density | 0.817 g/mL at 25 °C (lit.) |
| Melting Point | -33 °C (lit.) |
| Boling Point | 145 °C (lit.) |
| Flash Point | 120°F |
| JECFA Number | 287 |
| Water Solubility | 4.6 g/L (20 ºC) |
| Solubility | H2O: insoluble |
| Vapor Presure | 5.2 mm Hg ( 20 °C) |
| Vapor Density | 3.94 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to light yellow |
| Exposure Limit | TLV-TWA 235 mg/m3 (50 ppm) (NIOSH). |
| Merck | 14,3345 |
| BRN | 1699049 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. |
| Explosive Limit | 1%(V) |
| Refractive Index | n20/D 1.408(lit.) |
| Physical and Chemical Properties | boiling point, °c 143.7
melting point, °c -32.1
flash point, ℃ 49
density, 20 °c/4 °c 0.816
refractive index, nD20 1.409 |
| Use | Used as a solvent for nitrocellulose, also used in organic synthesis |
Heptan-4-one - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R10 - Flammable R20/22 - Harmful by inhalation and if swallowed. R20 - Harmful by inhalation R2017/10/20 - |
| Safety Description | S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2710 3/PG 3 |
| WGK Germany | 2 |
| RTECS | MJ5600000 |
| TSCA | Yes |
| HS Code | 29141900 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 3021 mg/kg LD50 dermal Rabbit 4585 mg/kg |
Heptan-4-one - Reference Information
| FEMA | 2546 | 4-HEPTANONE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): non-alcoholic beverage 7.8; Cold beverage 11; Candy 19; baked products 27.0; Pudding and gelatin products 0.60~8.0. FDA,§ 172.515: limited to the appropriate amount. |
| Use | flavorant. Used for the preparation of jackfruit, Kang, bananas, tropical fruits and other types of flavor. as a solvent for nitrocellulose, it is also used in organic synthesis organic synthesis. Solvent. |
| production method | obtained by passing butyric acid through charcoal at 425 °c and then through cerium oxide or thorium oxide at 500 °c; it can also be obtained by oxidation of hydrazine at 400 to 425 °c. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 3000 mg/kg; Intravenous-mouse LD50: 271 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h mild; eye-rabbit 500 mg/24 h mild |
| flammability hazard characteristics | flammable in open flame, high temperature, strong oxidant; combustion emissions |
| storage and transportation characteristics | The package is complete, light, light; The warehouse is ventilated, away from open flame, high temperature, separate from oxidant |
| fire extinguishing agent | foam, carbon dioxide, dry powder, sand, 1211 |
| Occupational Standard | TWA 230 mg/m3; Tel 350 mg/m3 |
| spontaneous combustion temperature | 430°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:04
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