3-Hexanol

3-Hexanol Basic information
Product Name:3-Hexanol
Synonyms:C2H5CH(OH)C3H7;Hexanol-(3);1-Ethylbutyl alcohol;3-Hexanol,97%;3-Hexanol 97%;3-HEXANOL 99+%;3-Hexanol,98%;CIS3HEXANOL
CAS:623-37-0
MF:C6H14O
MW:102.17
EINECS:210-790-0
Product Categories:
Mol File:623-37-0.mol
3-Hexanol Structure
3-Hexanol Chemical Properties
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.)
Fp 95 °F
storage temp. Flammables area
solubility Soluble in alcohol.
pka15.31±0.20(Predicted)
form clear liquid
color Colorless to Almost colorless
OdorCharacteristic; strong, disagreeable odor resembling acetone.
Odor Typealcoholic
Water Solubility 15.84g/L(25 ºC)
JECFA Number282
BRN 1718964
LogP1.70
CAS DataBase Reference623-37-0(CAS DataBase Reference)
EPA Substance Registry System3-Hexanol (623-37-0)
Safety Information
Hazard Codes T
Risk Statements 10-48/23-62-67
Safety Statements 36/37-45-24/25
RIDADR UN 1224 3/PG 3
WGK Germany 1
RTECS MP1400000
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29051990
ToxicityA colorless liquid used as a solvent, in paints and in the printing industry. It enters the body primarily by inhalation or skin absorption. MBK causes irritation of the skin and mucous membranes and, on continued exposure, peripheral axonopathy; the latter is due to its metabolic conversion to 2,5-hexanedione. It is known to potentiate the hepatotoxicity of haloalkanes.
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
3-Hexanol Usage And Synthesis
Description3-Hexanol is alcoholic, ethereal, medicinal. May be synthesized by hydroboration of ds-3-hexene; from 3-hexyne; from l-(and 2-) hexenes.
Chemical Properties3-Hexanol has an alcoholic, ethereal, medicinal odor.
Chemical PropertiesCLEAR COLOURLESS LIQUID
OccurrenceReported 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.
UsesIt finds it application as a flavoring agent or adjuvant.
PreparationBy hydroboration of cis-3-hexene; from 3-hexyne; from 1-(and 2-) hexenes.
DefinitionChEBI: 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 valuesDetection: 820 ppb to 2.5 ppm
General Description3-Hexanol is an aliphatic alcohol that is reported to occur in freesia oil, pandan leaves and in tomato and dried products.
Health HazardRecommended 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 ReactivityReactivity 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.
3-Hexanol Preparation Products And Raw materials
Raw materialsCIS-3-HEXENE-->2-HEXANOL
Preparation Products3-BROMOHEXANE-->Tetrahydrofuran
ISOPULEGYL ACETATE 3-METHYLCYCLOPENTANOL 3,3-DIMETHYLCYCLOHEXANOL HYDROGENATED HEXYL OLIVE ESTERS 2,3-DIMETHYLCYCLOHEXANOL 4-Ethylcyclohexanol L-MENTHYL ACETATE (+)-DIHYDROCARVEOL MIXTURE OF ISOMERS AURORA KA-477 1,2-DIMETHYLCYCLOHEXANOL 2 2-DIMETHOXYCYCLOHEXANOL 97 CIS-2-METHYLCYCLOHEXANOL TRANS-3,3,5-TRIMETHYLCYCLOHEXANOL DL-ISOPINOCAMPHEOL 4,4-Dimethylcyclohexanol 3,5-DIMETHYLCYCLOHEXANOL 2-CARBOMETHOXYCYCLOHEXANOL 2-ETHYLCYCLOHEXANOL

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