3-Hexanol
Synonym(s):Ethyl propyl carbinol
- CAS NO.:623-37-0
- Empirical Formula: C6H14O
- Molecular Weight: 102.17
- MDL number: MFCD00004582
- EINECS: 210-790-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-08-18 18:37:42
What is 3-Hexanol?
Description
3-Hexanol is alcoholic, ethereal, medicinal. May be synthesized by hydroboration of ds-3-hexene; from 3-hexyne; from l-(and 2-) hexenes.
Chemical properties
CLEAR COLOURLESS LIQUID
Chemical properties
3-Hexanol has an alcoholic, ethereal, medicinal odor.
Occurrence
Reported found in lavender and sweet grass oil, as a volatile flavor components in pineapple and in the odorous portion of Vaccinium macrocarpon. Also reported found in apricot, banana, cranberry, lingonberry, black currants, melon, papaya, Parmesan cheese, cooked chicken, cognac, cocoa, soybeans, beans, mushrooms, mango and lemon balm.
The Uses of 3-Hexanol
It finds it application as a flavoring agent or adjuvant.
Preparation
By hydroboration of cis-3-hexene; from 3-hexyne; from 1-(and 2-) hexenes.
Definition
ChEBI: Hexan-3-ol is a hexanol in which the hydroxy group is at position 3. It has a role as a plant metabolite. It is a secondary alcohol and a hexanol.
Aroma threshold values
Detection: 820 ppb to 2.5 ppm
General Description
3-Hexanol is an aliphatic alcohol that is reported to occur in freesia oil, pandan leaves and in tomato and dried products.
Health Hazard
Recommended Personal Protective Equipment: Protective gloves; goggles or face shield; approved respirator (for major spills); Symptoms Following Exposure: Inhalation of high concentrations of vapor may result in narcosis; peripheral neuropathy may develop. Ingestion of large amounts may cause some systemic injury. Contact with eyes causes mild to moderate irritation. Liquid irritates skin; prolonged or repeated contact may cause defatting of the skin with resultant dermatitis; General Treatment for Exposure: INHALATION: move to uncontaminated atmosphere and treat symptomatically; alert physician to possible development of peripheral neuropathy. INGESTION: give large amount of water and induce vomiting. EYES: irrigate immediately and thoroughly with water for 15 min. and get medical attention. SKIN: flush exposed areas thoroughly with water; Toxicity by Inhalation (Threshold Limit Value): 100 ppm; Short-Term Inhalation Limits: Data not available; Toxicity by Ingestion: Grade 2; oral LD50 = 2,590 mg/kg (rat); Late Toxicity: Peripheral neuropathy in experimental animals and man (disease of motor and/or sensor nerves); Vapor (Gas) Irritant Characteristics: Data not available; Liquid or Solid Irritant Characteristics: Data not available; Odor Threshold: Data not available.
Chemical Reactivity
Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
Properties of 3-Hexanol
Melting point: | −57 °C(lit.) |
Boiling point: | 134-135 °C (lit.) |
Density | 0.820 g/mL at 20 °C
0.819 g/mL at 25 °C (lit.) |
vapor pressure | 10 mm Hg ( 39 °C) |
FEMA | 3351 | 3-HEXANOL |
refractive index | n |
Flash point: | 95 °F |
storage temp. | Flammables area |
solubility | Soluble in alcohol. |
pka | 15.31±0.20(Predicted) |
form | clear liquid |
color | Colorless to Almost colorless |
Odor | Characteristic; strong, disagreeable odor resembling acetone. |
Water Solubility | 15.84g/L(25 ºC) |
JECFA Number | 282 |
BRN | 1718964 |
CAS DataBase Reference | 623-37-0(CAS DataBase Reference) |
EPA Substance Registry System | 3-Hexanol (623-37-0) |
Safety information for 3-Hexanol
Signal word | Warning |
Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
Computed Descriptors for 3-Hexanol
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