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HomeProduct name list3-HEPTANOL

3-HEPTANOL

Synonym(s):Butyl ethyl carbinol

  • CAS NO.:589-82-2
  • Empirical Formula: C7H16O
  • Molecular Weight: 116.2
  • MDL number: MFCD00004586
  • EINECS: 209-661-1
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-25 16:21:11
3-HEPTANOL Structural

What is 3-HEPTANOL?

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

Colorless, oily liquid

Chemical properties

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

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)

The Uses of 3-HEPTANOL

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.

The Uses of 3-HEPTANOL

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

Preparation

By catalytic hydrogenation of ethyl-n-butyl ketone.

Definition

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

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

Properties of 3-HEPTANOL

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)
form  neat
color  Colorless to Almost colorless
Odor at 1.00 % in dipropylene glycol. powerful herbal
Water Solubility  3.984g/L(25 ºC)
JECFA Number 286
BRN  1719067
Dielectric constant 6.8600000000000003
CAS DataBase Reference 589-82-2(CAS DataBase Reference)
EPA Substance Registry System 3-Heptanol (589-82-2)

Safety information for 3-HEPTANOL

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H302:Acute toxicity,oral
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

Computed Descriptors for 3-HEPTANOL

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