2-Heptanol
- Product Name2-Heptanol
- CAS543-49-7
- CBNumberCB3313259
- MFC7H16O
- MW116.2
- EINECS208-844-3
- MDL NumberMFCD00004587
- MOL File543-49-7.mol
Chemical Properties
| Melting point: | −30.2 °C (−22.4 °F; 243.0 K) |
| Boiling point: | 159 °C (318 °F; 432 K) |
| Density | 0.817 g/mL |
| vapor pressure | 1.6 hPa (25 °C) |
| FEMA | 3288 | 2-HEPTANOL |
| refractive index | 1.42 |
| Flash point: | 71 °C (160 °F; 344 K) |
| storage temp. | Store below +30°C. |
| solubility | 3.27g/l, soluble in alcohol and oils. |
| pka | 15.44±0.20(Predicted) |
| form | clear liquid |
| color | Colorless to Almost colorless |
| Specific Gravity | 0.82 |
| Odor | at 100.00 %. fresh lemon grass herbal sweet floral fruity green |
| Odor Type | citrus |
| explosive limit | 0.9%(V) |
| biological source | synthetic |
| Water Solubility | 0.35 g/100 mL |
| Merck | 14,4662 |
| JECFA Number | 284 |
| BRN | 1719088 |
| Henry's Law Constant | 3.3×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielectric constant | 9.2100000000000009 |
| Stability: | Stable. Flammable. Incompatible with strong oxidizing agents, strong acids. |
| Major Application | environmental |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3 |
| InChIKey | CETWDUZRCINIHU-UHFFFAOYSA-N |
| SMILES | CCCCCC(C)O |
| LogP | 2.29 |
| CAS DataBase Reference | 543-49-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Heptanol(543-49-7) |
| EPA Substance Registry System | 2-Heptanol (543-49-7) |
Safety
| Symbol(GHS) |
  GHS02,GHS07 |
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| Signal word | Warning | |||||||||
| Hazard statements | H226-H312-H319 | |||||||||
| Precautionary statements | P210-P280-P302+P352+P312-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 21-36 | |||||||||
| Safety Statements | 36/37-36/37/39-26 | |||||||||
| RIDADR | UN 1987 3/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | MJ2975000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2905199090 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Dermal Eye Irrit. 2 Flam. Liq. 3 |
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| Toxicity | LD50 orally in Rabbit: 2580 mg/kg LD50 dermal Rabbit 1460 mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704: |
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