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1-Heptanol

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1-Heptanol Basic information

Product Name:
1-Heptanol
Synonyms:
  • l’alcooln-heptyliqueprimaire
  • l'Alcool n-heptylique primaire
  • n-C7H15OH
  • n-Heptan-1-ol
  • n-Heptanol-1
  • n-Hexylcarbinol
  • pri-n-heptylalcohol
  • Heptan-1-ol 98+ %
CAS:
111-70-6
MF:
C7H16O
MW:
116.2
EINECS:
203-897-9
Product Categories:
  • Alcohols
  • Building Blocks
  • C7 to C8
  • Chemical Synthesis
  • Organic Building Blocks
  • Oxygen Compounds
  • 1-Alkanols
  • Monofunctional & alpha,omega-Bifunctional Alkanes
  • Monofunctional Alkanes
Mol File:
111-70-6.mol
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1-Heptanol Chemical Properties

Melting point:
-36 °C (lit.)
Boiling point:
176 °C (lit.)
Density 
0.822 g/mL at 25 °C (lit.)
vapor pressure 
0.5 mm Hg ( 20 °C)
refractive index 
n20/D 1.424(lit.)
FEMA 
2548 | HEPTYL ALCOHOL
Flash point:
165 °F
storage temp. 
Store below +30°C.
solubility 
1g/l
form 
Liquid
pka
15.38±0.10(Predicted)
color 
Clear
Relative polarity
0.549
Odor
Weak alcoholic.
Odor Threshold
0.0048ppm
Odor Type
green
explosive limit
0.9%(V)
Water Solubility 
2.85 g/L (100 ºC)
Merck 
14,4661
JECFA Number
94
BRN 
1731686
Dielectric constant
6.7(21℃)
Stability:
Stable. Flammable. Incompatible with strong acids, strong oxidizing agents.
InChIKey
BBMCTIGTTCKYKF-UHFFFAOYSA-N
LogP
2.2 at 20℃
CAS DataBase Reference
111-70-6(CAS DataBase Reference)
NIST Chemistry Reference
1-Heptanol(111-70-6)
EPA Substance Registry System
1-Heptanol (111-70-6)
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Safety Information

Hazard Codes 
Xn,Xi
Risk Statements 
20/21/22-36-52
Safety Statements 
36-36/37/39-26
RIDADR 
2810
WGK Germany 
1
RTECS 
MK0350000
Autoignition Temperature
662 °F
TSCA 
Yes
HazardClass 
6.1(b)
PackingGroup 
III
HS Code 
29051900
Hazardous Substances Data
111-70-6(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 500 mg/kg LD50 dermal Rabbit 2000 mg/kg

MSDS

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1-Heptanol Usage And Synthesis

Description

Heptyl alcohol has a faint, aromatic, fatty odor and a pungent, spicy taste. It may be synthesized by reduction of enanthic aldehyde, which is a distillation product of castor oil.

Chemical Properties

Heptyl alcohol has a fragrant, woody, heavy, oily, faint, aromatic, fatty odor and a pungent, spicy taste.

Chemical Properties

colourless liquid

Occurrence

Reported found in a few essential oils, hyacinth, violet leaves, Litsea zeylanica Also reported found in apple, banana, citrus peel oils, orange juice, bilberry, cranberry, blueberry, other berries, currants, melon, papaya, peach, pear, pineapple, asparagus, peas, potato, mustard, cheeses, butter, milk, meats, hop oil, beer, cognac, rum, bourbon whiskey, grape wines, cocoa, tea, flberts, pecans, peanuts, soybeans, passion fruit juice, olive, macadamia nuts, mango, tamarind, fgs, cardamom, rice, calamus, dill, corn, malt, kiwifruit, truffe, nectarine, crab, crayfsh, clams and other sources

Uses

1-Heptanol, is used in the fragrance industry due to its pleasant smell.

Uses

1-Heptanol have also been used in the fragrance industry due to its pleasant smell.

Preparation

By reduction of enanthic aldehyde, which is a distillation product of castor oil.

Definition

ChEBI: 1-heptanol is an alkyl alcohol that is heptane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Capillipedium parviflorum. It has a role as a plant metabolite, a fragrance and a flavouring agent. It is a primary alcohol, an alkyl alcohol and a volatile organic compound. It derives from a hydride of a heptane.

Production Methods

1-Heptanol is produced by reacting hexenes with carbon monoxide in the oxo process or by the catalytic reduction of heptaldehyde. It has little commercial value except in fragrances and as an artificial flavoring agent.

Aroma threshold values

Detection: 3 ppb.

Synthesis Reference(s)

The Journal of Organic Chemistry, 57, p. 1061, 1992 DOI: 10.1021/jo00030a003
Synthesis, p. 701, 1979 DOI: 10.1055/s-1979-28800

General Description

Watery colorless liquid with a weak alcohol odor. Floats on water.

Reactivity Profile

Heptan-1-ol is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

Hazard

Combustible.

Health Hazard

Low toxicity; liquid may irritate eyes.

Flammability and Explosibility

Non flammable

Chemical Reactivity

Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Biochem/physiol Actions

Taste at 1-10 ppm

Purification Methods

Shake the alcohol with successive lots of alkaline KMnO4 until the colour persists for 15minutes, then dry it with K2CO3 or CaO, and fractionally distil it. [Beilstein 1 IV 1731.]

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