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HomeProduct name list3-Hexanol

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
3-Hexanol Structural

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  n20/D 1.401(lit.)
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)
ghs
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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