3-Heptanone
3-Heptanone
CAS: 106-35-4
Molecular Formula: C7H14O
3-Heptanone - Names and Identifiers
| Name | 3-Heptanone |
| Synonyms | FEMA 2545 heptan-3- 3-HEPTANONE 3-Heptanone Heptan-3-on HEPTAN-3-ONE n-C4H9COC2H5 heptane-3-one HEPTANONE, 3- n-Heptan-3-one Butyl Ethanone Butyl ethyl ketone ETHYL BUTYL KETONE ETHYL N-BUTYL KETONE heptan-3-on(dutch,german) |
| CAS | 106-35-4 |
| EINECS | 203-388-1 |
| InChI | InChI=1/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3 |
3-Heptanone - Physico-chemical Properties
| Molecular Formula | C7H14O |
| Molar Mass | 114.19 |
| Density | 0.818 g/mL at 25 °C (lit.) |
| Melting Point | -39 °C (lit.) |
| Boling Point | 146-149 °C (lit.) |
| Flash Point | 106°F |
| JECFA Number | 285 |
| Water Solubility | 3.3 g/L (20 ºC) |
| Solubility | 4.3g/l |
| Vapor Presure | 1.4 at 25 °C (quoted, Verschueren, 1983) |
| Appearance | Liquid |
| Color | Clear slightly yellow |
| Exposure Limit | TLV-TWA 230 mg/m3 (50 ppm) (ACGIH);IDLH 3000 ppm (NIOSH).. |
| BRN | 506161 |
| Storage Condition | Flammables area |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. May form peroxides in storage if in contact with air - store under inert gas. |
| Refractive Index | n20/D 1.408(lit.) |
| Physical and Chemical Properties | Colorless transparent liquid. Fruit, grass and oil-like aroma. Boiling point 149 °c, freezing point -39 °c, Flash Point 46 °c. Miscible in ethanol and ether, 1 ml dissolved in 70ml water. |
| Use | Used as a solvent for nitrocellulose, also used in organic synthesis |
3-Heptanone - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R38 - Irritating to the skin R40 - Limited evidence of a carcinogenic effect R48/20/22 - R36 - Irritating to the eyes R20 - Harmful by inhalation R10 - Flammable |
| Safety Description | S36 - Wear suitable protective clothing. S24 - Avoid contact with skin. S36/37 - Wear suitable protective clothing and gloves. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2810 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | MJ5250000 |
| TSCA | Yes |
| HS Code | 29141990 |
| Hazard Note | Irritant |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | Acute oral LD50 for rats 2,760 mg/kg (quoted, RTECS, 1985). |
3-Heptanone - Reference Information
| FEMA | 2545 | 3-HEPTANONE |
| Henry's Law Constant | 4.38 x 10-4(atm?m3/mol) at 37 °C (static headspace-GC, Bylaite et al., 2004) |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | moisture content in GT-32 by Karl? Fischer method. Freshly distilled pyridine was used as the solvent. |
| toxicity | GRAS(FEMA). LD50 @ 2760mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 0.13~2.0; Cold drinks 0.25~170; Candy 67; baking food 0.25~130. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-96 permitted use of flavorants. Mainly used for the preparation of cheese, banana and melon flavor. as a solvent for nitrocellulose, also used in organic synthesis as a solvent for nitrocellulose, also used in organic synthesis |
| production method | obtained by heating 3-heptanol and air to 300 ° C. Through silver gauze. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 2760 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h moderate; eye-rabbit 500 mg/24 h mild |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | flammable in case of open flame, high temperature and oxidant; combustion-induced smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, CO2, foam, 1211 extinguishing agent |
| Occupational Standard | TWA 230 mg/m3; Tel 345 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentrations | 1,000 ppm |
Last Update：2024-04-09 02:00:04
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