2-HEXANOL Chemical Properties

Melting point:

-23 °C

Boiling point:

136 °C (lit.)

Density 

0.814 g/mL at 20 °C 0.81 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.414(lit.)

Flash point:

115 °F

storage temp. 

Flammables area

form 

Liquid

pka

15.31±0.20(Predicted)

color 

Clear colorless

Odor

at 1.00 % in dipropylene glycol. chemical winey fruity fatty terpenic cauliflower

Odor Type

winey

Water Solubility 

Soluble in water (13 g/L at 25°C),

BRN 

1718996

Stability:

Stable. Combustible. Incompatible with strong oxidizing agents. Mixtures with air may be explosive.

InChIKey

QNVRIHYSUZMSGM-UHFFFAOYSA-N

LogP

1.702 (est)

CAS DataBase Reference

626-93-7(CAS DataBase Reference)

EPA Substance Registry System

2-Hexanol (626-93-7)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

10-36/37/38-22

Safety Statements 

16-26-36

RIDADR 

UN 2282 3/PG 3

WGK Germany 

1

RTECS 

MO8470000

TSCA 

Yes

HazardClass 

3.2

PackingGroup 

III

HS Code 

29051990

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2-HEXANOL Usage And Synthesis

Chemical Properties

colourless liquid

Occurrence

Found among the constituents of several essential oils and aromas, notably apple, strawberry, tea, violet , Java citronella. Bourbon geranium, lavender, lavandin, spike, Litsea zeylanica; also identified in bitter orange . Preparation: By reduction of ethyl caproate with sodium alcoholate or by any other suitable means.

Uses

(+/-)-2-Hexanol is s an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff field. It is used as perfuming agent.

Definition

ChEBI: Hexan-2-ol is a hexanol in which the hydroxy group is at position 2. It has a role as a semiochemical, a plant metabolite and a human metabolite. It is a secondary alcohol and a hexanol.

Synthesis Reference(s)

Journal of the American Chemical Society, 89, p. 1522, 1967 DOI: 10.1021/ja00982a043

Toxicity evaluation

The acute oral LD₅₀ in mice was reported as 4 g/kg and in rats as 4.87 g/kg and 4.59 g/kg . The acute dermal LD₅₀ in rabbits was reported as 3.1 ml/kg and as > 5 g/kg . The maximum period of survival of rats inhaling the saturated vapours of hexanol was reported as 8 hr . Gerarde & Ahlstrom found that aspiration of 0-2 ml alcohol C-6 caused respiratory arrest and instant death. Scala & Burtis studied the acute toxicity of commercial grade hexanol by several routes of administration in various species. The acute oral LD₅₀ in rats was 3.67 g/kg and the acute dermal LD₅₀ in rabbits was >2.6 g/kg. Dermal application resulted in signs of CNS toxicity. Inhalation exposure of mice, rats and guineapigs to atmospheres nearly saturated with the hexanol preparation for 6 hr elicited a questionable effect on CNS activity, moderate (but reversible) local irritation mainly involving the mucous membranes and slight lung congestion.

General Description

2-Hexanol is one of the constituent of Porella arboris-vitae extracts which has been determined by solid phase microextraction, gas chromatography-mass spectrometry (SPME GC-MS).

Metabolism

n-Hexanol is metabolized by direct conjugation with glucuronic acid and by oxidation to the carboxylic acid and eventually to CO₂. In the rabbit, direct conjugation is a minor pathway and oxidation the major pathway

2-HEXANOL(626-93-7)Related Product Information

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