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)

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

• Language:English Provider:Heptan-1-ol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

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.

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.

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.

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.

Preparation

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

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

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.

Health Hazard

1-Heptanol is low toxicity; liquid may irritate eyes.

Flammability and Explosibility

Non flammable

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.]

1-Heptanol(111-70-6)Related Product Information

• Heptane
• Heptanoic acid
• Sodium butanolate
• Butyryl chloride
• Butylamine
• Methyl 3-oxohexanoate
• 1-Bromopropane
• 1-Butanol
• n-Butyllithium
• N-EICOSANE
• Decanoic acid
• N-TRICOSANE
• N-TETRACOSANE
• 1-Hexanol
• N-DECYLCYCLOHEXANE
• Hexanal
• Butyric Acid
• Decane