1-Heptanol
- Product Name1-Heptanol
- CAS111-70-6
- CBNumberCB0342528
- MFC7H16O
- MW116.2
- EINECS203-897-9
- MDL NumberMFCD00002986
- MOL File111-70-6.mol
Chemical Properties
| Melting point: | -36 °C (lit.) |
| Boiling point: | 176 °C (lit.) |
| Density | 0.822 g/mL at 25 °C (lit.) |
| vapor pressure | 0.5 mm Hg ( 20 °C) |
| refractive index | n |
| FEMA | 2548 | HEPTYL ALCOHOL |
| Flash point: | 165 °F |
| storage temp. | Store below +30°C. |
| solubility | 1g/l |
| form | Liquid |
| pka | 15.38±0.10(Predicted) |
| color | Clear |
| Relative polarity | 0.549 |
| Odor | Weak alcoholic. |
| Odor Threshold | 0.0048ppm |
| explosive limit | 0.9%(V) |
| Odor Type | green |
| biological source | synthetic |
| Water Solubility | 2.85 g/L (100 ºC) |
| Thermal Conductivity | 0.164 W/(m·K) at 25 ℃ |
| Specific Heat Capacity | Cp(liquid): 2.34 J/(g·K), at 25℃ |
| JECFA Number | 94 |
| Merck | 14,4661 |
| BRN | 1731686 |
| Henry's Law Constant | 5.3×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielectric constant | 6.7(21℃) |
| Stability: | Stable. Flammable. Incompatible with strong acids, strong oxidizing agents. |
| Major Application | cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 |
| InChIKey | BBMCTIGTTCKYKF-UHFFFAOYSA-N |
| SMILES | CCCCCCCO |
| LogP | 2.2 at 20℃ |
| Surface tension | 26.47mN/m at 298.15K |
| CAS DataBase Reference | 111-70-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Heptanol(111-70-6) |
| EPA Substance Registry System | 1-Heptanol (111-70-6) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H319 | |||||||||
| Precautionary statements | P264-P280-P305+P351+P338-P337+P313 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 20/21/22-36-52 | |||||||||
| Safety Statements | 36-36/37/39-26 | |||||||||
| RIDADR | 2810 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | MK0350000 | |||||||||
| Autoignition Temperature | 662 °F | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1(b) | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29051900 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications |
Aquatic Chronic 3 Eye Irrit. 2 |
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| Hazardous Substances Data | 111-70-6(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in Rabbit: 500 mg/kg LD50 dermal Rabbit 2000 mg/kg | |||||||||
| REACH Registrations | Active | |||||||||
| Excepted Quantities | Non-Hazardous | |||||||||
| NFPA 704: |
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