4-(Heptyloxy)phenol

Basic Information

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CAS Number

13037-86-0

Molecular Formula

C13H20O2

Molecular Weight

208.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

60.0 to 63.0 deg-C

Boiling Point

307.5°C (rough estimate)

Flash Point

144.8±5.3 °C

Refractive Index

1.4860 (estimate)

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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CCCCCCCOC1=CC=C(C=C1)O

InChI

InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3

InChIKey

HZBABTUFXQLADL-UHFFFAOYSA-N

LogP

3.7414000000000036

Topological Polar Surface Area

29.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

140

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

UNII-W9GSE02182
MFCD00002338
A806078
4-(Heptyloxy)benzolol
J-005801
4-heptoxyphenol
A-45594
p-n-Heptyloxyphenol
p-(Heptyloxy)phenol
13037-86-0
Phenol, p-(heptyloxy)-
CHEBI:34406
4-(Heptyloxy)phenol, 97%
13087-86-0
SCHEMBL1401769
GTPL5422
FT-0616779
4-Heptyloxy-phenol
Hydroquinone Monoheptyl Ether
D90872
4-Heptyloxyphenol
CS-0000200
AKOS003382510
4-n-Heptyloxyphenol
FT-0619173
HY-30263
NS00122131
4-(HEPTYLOXY)PHENOL
BRN 1871129
3-06-00-04391 (Beilstein Handbook Reference)
BIDD:ER0034

MDL Number

MFCD00002338

Customs Code

2909500000

FAQ

What are the physical and chemical properties of 4-(Heptyloxy)phenol (CAS: 13037-86-0)?

4-(Heptyloxy)phenol (CAS: 13037-86-0) is a colorless to light yellow liquid with a specific odor. Its molecular weight is approximately 220.23 g/mol. The compound is slightly soluble in water but miscible with ethanol and other organic solvents. It is less reactive compared to its parent compound but exhibits some hydroxy group reactivity typical of phenols. It has a melting point of -22°C and a boiling point of 236°C.

How is 4-(Heptyloxy)phenol (CAS: 13037-86-0) typically synthesized?

4-(Heptyloxy)phenol can be synthesized through the reaction of heptanol with phenol in the presence of an acid catalyst such as sulfuric acid. The process involves the substitution of a hydroxyl group at the para position of the phenol ring. The yield and selectivity can be optimized through careful control of reaction conditions, and the use of appropriate solvents and catalysts. This synthesis method is commonly used in the preparation of various phenolic compounds for industrial applications.

What industries use 4-(Heptyloxy)phenol (CAS: 13037-86-0)?

4-(Heptyloxy)phenol (CAS: 13037-86-0) is used in a variety of industries. It is a key intermediate in the synthesis of other chemical compounds and is also used in the production of phenolic resins for adhesives and coatings. Additionally, it has applications in the pharmaceutical industry as a precursor for the synthesis of certain drugs. Its unique properties make it suitable for use in polymer science, sensors, and as a component in some semiconductors.

What precautions should be taken when handling 4-(Heptyloxy)phenol (CAS: 13037-86-0)?

When handling 4-(Heptyloxy)phenol (CAS: 13037-86-0), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood to minimize inhalation exposure. Spills should be cleaned up promptly using appropriate absorbent materials. The material safety data sheet (MSDS) or safety data sheet (SDS) should be consulted for detailed safety information and emergency procedures. Proper storage in a cool, dry place, away from heat sources and strong oxidizers, is also recommended.