ALCOHOL C7
2-heptanol
CAS: 543-49-7
Molecular Formula: C7H16O
ALCOHOL C7 - Names and Identifiers
| Name | 2-heptanol |
| Synonyms | ALCOHOL C7 Heptanol-2 2-HEPTANOL 2-enanthol 2-heptanol heptan-2-ol n-Heptan-2-ol s-heptylalcohol 1-methylhexanol (2R)-heptan-2-ol 2-HEPTYL ALCOHOL s-Heptyl alcohol 2-HYDROXYHEPTANE (2S)-heptan-2-ol CH3(CH2)4CHOHCH3 AMYLMETHYLCARBINOL SEC-HEPTYL ALCOHOL methyl-n-amylcarbinol N-AMYL METHYL CARBINOL heptanol(non-specificname) alcoolheptyliquesecondaire methylamylcarbinol(combustibleliquid,n.o.s.) n-Amyl methyl carbinol~Methyl n-pentyl carbinol |
| CAS | 543-49-7 |
| EINECS | 208-844-3 |
| InChI | InChI=1/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m1/s1 |
| InChIKey | CETWDUZRCINIHU-UHFFFAOYSA-N |
ALCOHOL C7 - Physico-chemical Properties
| Molecular Formula | C7H16O |
| Molar Mass | 116.2 |
| Density | 0.817 g/mL at 25 °C (lit.) |
| Melting Point | -30.15°C |
| Boling Point | 160-162 °C (lit.) |
| Flash Point | 140°F |
| JECFA Number | 284 |
| Water Solubility | 0.35 g/100 mL |
| Solubility | 3.27g/l |
| Vapor Presure | 1.6 hPa (25 °C) |
| Appearance | Liquid |
| Color | Clear colorless |
| Merck | 14,4662 |
| BRN | 1719088 |
| pKa | 15.44±0.20(Predicted) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong acids. |
| Explosive Limit | 0.9%(V) |
| Refractive Index | n20/D 1.420(lit.) |
| Physical and Chemical Properties | Density 0.8175
|
ALCOHOL C7 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R21 - Harmful in contact with skin R36 - Irritating to the eyes |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 1987 3/PG 3 |
| WGK Germany | 3 |
| RTECS | MJ2975000 |
| TSCA | Yes |
| HS Code | 29051900 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 2580 mg/kg LD50 dermal Rabbit 1460 mg/kg |
ALCOHOL C7 - Nature
Open Data Verified Data
colorless liquid, there are dI-, d-, I-three isomers, density (do) were 8184. The boiling points are 158-160 ℃,73.5 ℃(2666Pa) and 74.5 ℃(3066Pa), respectively. The refractive index dI-was 42131. The optical rotation d-was 11.45. (20 °c, 1.039g in 20ml absolute ethanol), 13.71. (20 ° C., 0.992G in 20ml of benzene), i− = -10.48. (17 °c, pure liquid). Insoluble in water, soluble in ethanol, ether, benzene. Flammable, open flame, high heat, oxidant, there is the risk of combustion.
Last Update：2024-01-02 23:10:35
ALCOHOL C7 - Preparation Method
Open Data Verified Data
- the reaction of pentyl nickel bromide with acetaldehyde.
- Methyl amyl ketone was prepared by reacting with sodium metal in an ethanol solution.
Last Update：2022-01-01 10:34:29
ALCOHOL C7 - Use
Open Data Verified Data
used as solvent and chemical reagent.
Last Update：2022-01-01 10:34:29
ALCOHOL C7 - Safety
Open Data Verified Data
- toxicity is close to hexanol (Rat oral ld504.9 g/kg).
- 25mL glass bottle, external protection in wooden box. Store in a cool, dry, ventilated warehouse. Keep away from fire and heat source. Stored separately from the oxidant. Sealed storage.
Last Update：2022-01-01 10:34:29
ALCOHOL C7 - Reference Information
| FEMA | 3288 | 2-HEPTANOL |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): alcohol-free beverage 0.5; Cold drink 0.5; Candy 1.0; Baked product 15.0; Pudding 5.0; Gum candy 10.0; Dipping seasoning and smearing 12.0; Salad seasoning 80.0. |
| use | GB 2760-1997 specified as allowed food spices. added to nitro paint solvent as a cosolvent, used as plasticizer, wetting agent, medicine, perfume and other intermediates, analytical chemical reagents. |
| Production method | 1. Preparation by reaction of amyl nickel bromide and acetaldehyde. 2. Methyl-amyl ketone and sodium metal are prepared by reaction in ethanol solution. It is synthesized from amyl magnesium bromide and acetaldehyde. It is obtained by the reaction of mepentanone and sodium metal in ethanol. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 2580 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours mild; Eye-rabbit 250 micrograms severe |
| flammability hazard characteristics | combustible in case of open flame, high temperature and strong oxidant; Combustion emission stimulates smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | foam, carbon dioxide, dry powder, sand |
Last Update：2024-04-09 19:05:09
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