Name | 3-Heptanol |
Synonyms | FEMA 3547 3-Heptanol ALCOHOL C7 heptan-3-ol DL-3-HEPTANOL (3S)-heptan-3-ol 3-HEPTYL ALCOHOL (3R)-heptan-3-ol 3-Hydroxyheptane BUTYL ETHYL CARBINOL ETHYL N-BUTYLCARBINOL |
CAS | 589-82-2 |
EINECS | 209-661-1 |
InChI | InChI=1/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3/t7-/m0/s1 |
Molecular Formula | C7H16O |
Molar Mass | 116.2 |
Density | 0.821 g/mL at 20 °C0.818 g/mL at 25 °C (lit.) |
Melting Point | -70°C |
Boling Point | 66 °C/20 mmHg (lit.) |
Flash Point | 130°F |
JECFA Number | 286 |
Water Solubility | 3.984g/L(25 ºC) |
Vapor Presure | 1.03mmHg at 25°C |
Appearance | neat |
Color | Colorless to Almost colorless |
BRN | 1719067 |
pKa | 15.31±0.20(Predicted) |
Storage Condition | 2-8°C |
Refractive Index | n20/D 1.421(lit.) |
MDL | MFCD00004586 |
Physical and Chemical Properties | Colorless oily liquid. Strong herbal aroma, slightly bitter. Boiling Point 66 degrees C (2666Pa). Insoluble in water, soluble in ethanol. Natural products are found in banana, papaya, pepper-like peppermint oil, Scottish spearmint oil, roasted beef, congued wine, strawberries, etc. |
Hazard Symbols | Xn - Harmful |
Risk Codes | 22 - Harmful if swallowed |
Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
UN IDs | UN 1987 3/PG 3 |
WGK Germany | 3 |
RTECS | MJ3150000 |
Hazard Class | 3 |
Packing Group | III |
Toxicity | The acute oral LD50 was reported as 4.3 g/kg and 6 g/kg in mice and as 3.25 g/kg in rats . The acute dermal LD50 in rabbits was reported as > 5 g/kg . The acute inhalation LC 50 in mice was reported as 6.6 mg/litre |