Allyl hexanoate

Basic Information

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CAS Number

123-68-2

Molecular Formula

C9H16O2

Molecular Weight

156.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-57.45°C (estimate)

Boiling Point

188°C

Solubility

0.06g/l

Refractive Index

n20/D 1.422-1.426<br />n20/D 1.424(lit.)

SMILES

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CCCCCC(=O)OCC=C

InChI

InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3

InChIKey

RCSBILYQLVXLJG-UHFFFAOYSA-N

LogP

2.2959000000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

119

Safety Information

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GHS Hazard Pictograms

H301

H311

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

Allyl hexanoate
2-PROPENYL HEXANOATE
2-Propenyl n-hexanoate
ALLYL CAPROATE
ALLYL N-HEXANOATE
CAPROIC ACID ALLYL ESTER
FEMA 2032
HEXANOIC ACID ALLYL ESTER
Propylene caproate
Allylcapronate
allyle
allylecaproate
Allylester kyseliny kapronove
Allylhexylate
Hexanoicacid,2-propenylester
AllylHexanoate(PerfumeryGrade)
NATURAL ALLYL HEXANOATE FEMA NO.2032
prop-2-enyl hexanoate
ALLYLCAPRONAT
Allylhexanoat
ALLYLN-CAPROATE
Hexanoic Acid Allyl Ester
ALLYL HEXANOATE

MDL Number

MFCD00038339

Customs Code

29159080

FAQ

What is Allyl hexanoate (CAS: 123-68-2)?

Allyl hexanoate is a chemical compound with the CAS number 123-68-2. It is an ester formed from allyl alcohol and hexanoic acid. This compound is known for its pleasant, fruity aroma and is commonly used in various industries. Allyl hexanoate has a molecular formula of C9H16O2 and is a colorless liquid at room temperature. It is soluble in organic solvents and has a characteristic ester odor.

What are the main uses of Allyl hexanoate (CAS: 123-68-2)?

Allyl hexanoate (CAS: 123-68-2) is widely used in the food industry as a flavoring agent due to its sweet, fruity scent. It also finds applications in pharmaceuticals, where it serves as an intermediate in drug synthesis. In the fragrance industry, it is employed to create perfumes and cosmetics. Additionally, it is used in research for studying chemical reactions and as a reagent in organic synthesis.

Is Allyl hexanoate (CAS: 123-68-2) safe?

Allyl hexanoate (CAS: 123-68-2) is generally considered safe when handled properly. However, it is important to take standard safety precautions, such as wearing gloves and goggles, to avoid skin or eye contact. Inhalation of its vapors should be minimized, and proper ventilation is recommended. It is not classified as a toxic substance, but safety data sheets should be consulted for specific handling guidelines and exposure limits.

How should Allyl hexanoate (CAS: 123-68-2) be stored?

Allyl hexanoate (CAS: 123-68-2) should be stored in a cool, dry, and well-ventilated area, away from direct sunlight. It is best kept in a sealed, airtight container to prevent evaporation and contamination. Storage at temperatures below 25°C is recommended to maintain stability. Avoid exposure to moisture and ensure it is kept in a safe location away from incompatible materials.