Butyl Ethanone
3-Heptanone
CAS: 106-35-4
Molecular Formula: C7H14O
Butyl Ethanone - 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 |
Butyl Ethanone - 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 |
Butyl Ethanone - 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). |
Butyl Ethanone - 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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View History
Butyl Ethanone
C.I. Acid Red 361
CAPROIC ACID ALLYL ESTER
C.I. Direct Yellow 62
P.R.245
RARECHEM AL BE 0964
弱酸黄3GS
RARECHEM AL BD 0212
CALCIUM METABORATE
Disperse Orange 55
C.I. Acid Red 361
CAPROIC ACID ALLYL ESTER
C.I. Direct Yellow 62
P.R.245
RARECHEM AL BE 0964
弱酸黄3GS
RARECHEM AL BD 0212
CALCIUM METABORATE
Disperse Orange 55