3-HEPTANOL Property

Melting point:

-70°C

Boiling point:

66 °C/20 mmHg (lit.)

Density 

0.821 g/mL at 20 °C 0.818 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.421(lit.)

FEMA 

3547 | 3-HEPTANOL

Flash point:

130 °F

storage temp. 

2-8°C

solubility 

Chloroform, Methanol (Sparingly)

pka

15.31±0.20(Predicted)

color 

Colorless to Almost colorless

Odor

at 1.00 % in dipropylene glycol. powerful herbal

Odor Type

herbal

Water Solubility 

3.984g/L(25 ºC)

JECFA Number

286

BRN 

1719067

Dielectric constant

6.8600000000000003

LogP

2.29

CAS DataBase Reference

589-82-2(CAS DataBase Reference)

EPA Substance Registry System

3-Heptanol (589-82-2)

Safety

Hazard Codes 

Xn

Risk Statements 

22

Safety Statements 

23-24/25

RIDADR 

UN 1987 3/PG 3

WGK Germany 

3

RTECS 

MJ3150000

HS Code 

2905.19.9090

HazardClass 

3

PackingGroup 

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H226Flammable liquid and vapour

H302Harmful if swallowed

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

3-HEPTANOL Chemical Properties,Usage,Production

Description

3-Heptanol has a powerful, herbaceous odor and a pungent, slightly bitter taste. May be prepared through catalytic hydrogenation of ethyl-n-butyl ketone.

Chemical Properties

3-Heptanol has a powerful, herbaceous odor and a pungent, slightly bitter taste.

Chemical Properties

Colorless, oily liquid

Occurrence

Reported found in banana, papaya, French fried potato, peppermint oil, butter, fried or grilled beef, cognac, coffee, peated malt and rooibus tea (Aspalathius linearis)

Uses

Flotation frother, solvent and diluent in organic coatings, intermediates.

Uses

3-Heptanol can be used:

• As a solvent to form microenvironments around single-walled carbon nanotubes.
• To prepare substituted pyrimidine derivatives as C1 domain-targeted isophthalate analogs to study their binding affinities towards PKCα?isoform.
• As a building block to synthesize 4-(3-adamantan-1-yl-ureido)-butyric acid and cyclohexanecarboxylic acid derivatives as sEH inhibitors.

Definition

ChEBI: Heptan-3-ol is a secondary alcohol.

Preparation

By catalytic hydrogenation of ethyl-n-butyl ketone.

Aroma threshold values

240 to 410 ppb.

Synthesis Reference(s)

The Journal of Organic Chemistry, 30, p. 3760, 1965 DOI: 10.1021/jo01022a038
Synthetic Communications, 26, p. 1065, 1996 DOI: 10.1080/00397919608003713

General Description

3-Heptanol is the main biotransformation product of n-heptane.

Hazard

Toxic by ingestion. Moderate fire risk.

Biochem/physiol Actions

Odor at 1.0%

Metabolism

In the rabbit, heptan-l-ol is metabolized partly by direct conjugation with glucuronic acid to form an ether glucuronide and mainly by oxidation to the carboxylic acid, which either undergoes further oxidation to CO₂ or forms an ester glucuronide