heptan-3-ol
3-Heptanol
CAS: 589-82-2
Molecular Formula: C7H16O
heptan-3-ol - Names and Identifiers
| 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 |
heptan-3-ol - Physico-chemical Properties
| 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. |
heptan-3-ol - Risk and Safety
| 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 |
heptan-3-ol - Reference Information
| FEMA | 3547 | 3-HEPTANOL |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): baked product 18.0; Frozen confection 8.8; Soft candy 13.5; pudding 8.2; Non-alcoholic beverages 7.8; Alcoholic beverages 6.3. FDA,§ 172.515: limited to the appropriate amount. |
| Use | food flavor. Mainly used for the preparation of spices flavor. |
| production method | obtained by catalytic hydrogenation of ethyl ketone. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1870 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h mild; eye-rabbit 20 mg/24 h moderate |
| flammability hazard characteristics | flammable in open flame, high temperature, strong oxidant; combustion emissions |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | foam, carbon dioxide, dry powder, sand, 1211 |
Last Update：2024-04-09 02:00:09
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CAS: 589-82-2
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CAS: 589-82-2
Tel: 18301782025
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Mobile: 18021002903
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