(7Z)-7-Dodecen-1-yl acetate

Basic Information

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CAS Number

14959-86-5

Molecular Formula

C14H26O2

Molecular Weight

226.36 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

-22.4°C (estimate)

Boiling Point

300.1±21.0 ºC (760 Torr),

Flash Point

96.5±20.4 ºC,

Refractive Index

1.4485 (20 ºC)

SMILES

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CCCCC=CCCCCCCOC(=O)C

InChI

InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h6-7H,3-5,8-13H2,1-2H3/b7-6-

InChIKey

MUZGQHWTRUVFLG-SREVYHEPSA-N

LogP

4.246400000000003

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

185

Safety Information

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Toxicity

LD50 in rats (mg/kg): >13430 orally; in rabbits (mg/kg): >2025 dermally; LC50 (24 hr) in rainbow trout, bluegill sunfish (ppm): >100, >100 (Beroza)

Synonyms & References

English

NS00086692
83U0A15960
(z)-dodec-7-en-1-yl acetate
E74908
(Z)-7-Dodecen-1-olacetate
(7Z)-7-Dodecen-1-ol acetate
MFCD00009878
(Z)-1-Acetoxy-7-dodecene
(Z)-Dodec-7-enyl acetate
cis-7-Dodecenyl acetate
LOOPLURE [MI]
CS-0077899
Pherocon CL
ENT-33266
(7Z)-dodec-7-en-1-yl acetate
UNII-83U0A15960
BS-45794
(Z)-7-Dodecen-1-yl acetate
EINECS 239-031-1
14959-86-5
(7Z)-7-Dodecenyl acetate #
z-7-dodecenyl acetate
SCHEMBL406742
cis-7-Dodecen-1-ol acetate
7-Dodecen-1-ol acetate, (Z)
7-Dodecen-1-ol, acetate, (Z)-
BRN 1908671
CHEBI:179336
(7Z)-Dodecenyl Acetate
7-Dodecen-1-ol, acetate, (7Z)-
AKOS024319694

MDL Number

MFCD00009878

Customs Code

2915390090

FAQ

What are the physical and chemical properties of (7Z)-7-Dodecen-1-yl acetate (CAS: 14959-86-5)?

(7Z)-7-Dodecen-1-yl acetate (CAS: 14959-86-5) is a colorless to pale yellow liquid with a strong fruity odor. It has a molecular weight of approximately 220.35 g/mol and a specific gravity of 0.898 at 20°C. The compound is poorly soluble in water but highly soluble in organic solvents. It is relatively stable under normal conditions but can react with strong acids and bases. It is not flammable and has a boiling point of 197°C and a flash point of >100°C.

How is (7Z)-7-Dodecen-1-yl acetate (CAS: 14959-86-5) typically synthesized?

(7Z)-7-Dodecen-1-yl acetate (CAS: 14959-86-5) is typically synthesized by acetylation of 7-dodecen-1-ol in the presence of a catalyst such as aldehyde acid or concentrated sulfuric acid. The reaction usually involves heating the alcohol with acetic anhydride in anhydrous conditions to achieve high yields. The product is then purified by distillation or recrystallization.

What industries use (7Z)-7-Dodecen-1-yl acetate (CAS: 14959-86-5)?

(7Z)-7-Dodecen-1-yl acetate (CAS: 14959-86-5) is commonly used in the fragrance and flavor industry as a synthetic component for perfumes and food additives. It is also utilized in the cosmetic industry for personal care products and in the chemical industry for various applications such as solvents and intermediates. Some specific applications include use in polymer modification and as a reagent in organic synthesis.

What precautions should be taken when handling (7Z)-7-Dodecen-1-yl acetate (CAS: 14959-86-5)?

When handling (7Z)-7-Dodecen-1-yl acetate (CAS: 14959-86-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Proper ventilation should be maintained, and the use of a fume hood is recommended. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Care should be taken to avoid contact with skin and eyes. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.