3-heptanone, 5-methyl-
5-methylheptan-3-one
CAS: 541-85-5
Molecular Formula: C8H16O
3-heptanone, 5-methyl- - Names and Identifiers
| Name | 5-methylheptan-3-one |
| Synonyms | 5-Methyl-3-heptanon 5-Methylheptan-3-one 5-Méthyl-3-heptanone 5-methylheptan-3-one HEPTAN-3-ON, 5-METHYL 3-Heptanone,5-methyl- 3-heptanone, 5-methyl- 2-methylbutylethylketone (5R)-5-methylheptan-3-one (5S)-5-methylheptan-3-one METHYL-3-HEPTANONE, 5-(SG) 5-METHYL-3-HEPTANONE WITH GC Amyl Ethyl KetoneEthyl Amyl Ketone Ethylamylketone~Ethyl2-methylbutylketone |
| CAS | 541-85-5 |
| EINECS | 208-793-7 |
| InChI | InChI=1/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3/t7-/m1/s1 |
3-heptanone, 5-methyl- - Physico-chemical Properties
| Molecular Formula | C8H16O |
| Molar Mass | 128.21 |
| Density | 0.823 g/mL at 25 °C (lit.) |
| Melting Point | -56.65°C |
| Boling Point | 157-162 °C (lit.) |
| Specific Rotation(α) | n20/D 1.414(lit.) |
| Flash Point | 111°F |
| Water Solubility | 1.92g/L at 19.9℃ |
| Solubility | Slightly soluble in water, miscible in organic solvents such as alcohol, ketone, ether, etc. |
| Vapor Presure | 2.7 hPa (25 °C) |
| Appearance | Colorless liquid with a fruity odor |
| Color | Colorless liquid with a fruity odor |
| Exposure Limit | TLV-TWA 130 mg/m3 (25 ppm) (ACGIH). |
| Merck | 14,6084 |
| BRN | 506345 |
| Storage Condition | Store below +30°C. |
| Sensitive | Flammable. Avoid steam inhalation. It is easy to burn in case of open fire, high heat and strong oxi |
| Explosive Limit | 0.9-48%(V) |
| Refractive Index | n20/D 1.414(lit.) |
| MDL | MFCD00009340 |
| Physical and Chemical Properties |
Combustible, colourless liquid with pungent odour. Above 59℃ explosive vapour-air mixtures may be formed. Insoluble in water. Used in the perfumery industry. |
3-heptanone, 5-methyl- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R36/37 - Irritating to eyes and respiratory system. |
| Safety Description | 23 - Do not breathe vapour. |
| UN IDs | UN 2271 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MJ7350000 |
| HS Code | 2914 19 90 |
| Hazard Class | 3.2 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 3500 mg/kg LD50 dermal Rabbit > 16000 mg/kg |
3-heptanone, 5-methyl- - Reference Information
| Henry's Law Constant | 1.30 x 10-4 atm?m3/mol at 20 °C (approximate - calculated from water solubility and vapor pressure) |
| LogP | 2.147 at 25℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | solvent for nitrocellulose and vinyl resin. |
| Production method | Dehydrogenation of 5-methylheptanol. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 3500 mg/kg; Oral-mouse LD50: 3800 mg/kg |
| stimulation data | skin-rabbit 500 mg mild |
| Explosive hazard characteristics | Steam and air can explode when mixed |
| flammability hazard characteristics | flammability; fire scene releases spicy and irritating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant storage and transportation |
| fire extinguishing agent | dry powder, carbon dioxide, sand, foam |
| occupational standard | TWA 130 mg/m3; STEL 190 mg/m3 |
| immediate life-threatening and health concentration | 100 ppm |
Last Update：2024-04-10 22:29:15
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