1-Heptanol | CAS No. 111-70-6

1-Heptanol

Basic Information

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CAS Number

111-70-6

Molecular Formula

C7H16O

Molecular Weight

116.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

−36 °C

Boiling Point

176 °C

Water Solubility

2.85 g/L (100 ºC)

Solubility

1g/l

Refractive Index

n20/D 1.424(lit.)<br />n20/D 1.424

Vapor Pressure

0.5 mmHg ( 20 °C)

SMILES

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CCCCCCCO

InChI

InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

LogP

1.9491

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

35.4

Safety Information

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GHS Hazard Pictograms

H302

H312

H319

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Stability

Stable. Flammable. Incompatible with strong acids, strong oxidizing agents.

Sensitiveness

heat-sensitive

Explosive Limit

0.9%(V)

Synonyms & References

English

1-Heptanol
n-Heptyl alcohol
Heptyl alcohol
Heptan-1-ol
n-heptanol
1-Heptanol,Heptyl alcohol
1-heptyl alcohol
1-Hydroxyheptane
Enanthic alcohol
Gentanol
Heptanol
Heptylalcohol (8CI)
NSC 3703
n-Heptan-1-ol
Enanthol
FEMA 2548
heptan-1-
n-C7H15OH
1-HeptanoI
ALCOHOL C7
Heptyl Alcohol
n-Heptanol
HEPTANOL
N-HEPTANOL
1-HEPTANOL

MDL Number

MFCD00002986

Customs Code

29051900

FAQ

What is 1-Heptanol (CAS: 111-70-6)?

1-Heptanol, with the CAS number 111-70-6, is a primary alcohol with the chemical formula C7H16O. It is a colorless, volatile liquid with a mild odor and is commonly used as a solvent and fragrance ingredient. It has a boiling point of approximately 198°C and is miscible with water and most organic solvents.

What are the main uses of 1-Heptanol (CAS: 111-70-6)?

1-Heptanol is widely used in the pharmaceutical industry as a solvent and in the production of perfumes and flavorings. It also serves as a precursor in the synthesis of various organic compounds. Additionally, it is employed in research for its utility in chemical reactions and as a component in some industrial applications, such as coatings and inks.

Is 1-Heptanol (CAS: 111-70-6) safe?

1-Heptanol is generally considered safe when handled properly, but it can be harmful if inhaled, ingested, or comes into contact with skin. It is classified as a flammable liquid and should be handled with appropriate safety measures. Safety data sheets recommend using protective gloves, goggles, and ensuring good ventilation to minimize exposure risks.

How should 1-Heptanol (CAS: 111-70-6) be stored?

1-Heptanol should be stored in a cool, dry, and well-ventilated area away from heat sources and direct sunlight. It is best kept in a sealed, non-corrosive container made of materials like glass or stainless steel. Proper storage helps maintain its stability and prevents potential hazards due to its flammable nature.