(3Z)-3-Hexen-1-yl butyrate

Basic Information

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CAS Number

16491-36-4

Molecular Formula

C10H18O2

Molecular Weight

170.25 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

Boiling Point

96 °C/20 mmHg

Refractive Index

n20/D 1.431(lit.)

SMILES

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CCCC(=O)OCC/C=C\CC

InChI

InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-

InChIKey

ZCHOPXVYTWUHDS-WAYWQWQTSA-N

LogP

2.686000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

139

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(Z)-Hex-3-en-1-yl butyrate
(Z)-hex-3-enyl butyrate
CIS-3-HEXENYL BUTYRATE
(Z)-3-Hexenyl Butyrate
FEMA 3402
Leaf butyrate
3-hexenylbutyrate
C3 HEXENYL BUTYRATE
HEX-3-ENYL BUTYRATE
(Z)-Hex-3-enylbutyrat
3(Z)-hexenyl butanoate
HEXENYL-CIS-3-BUTYRATE
cis-3-Hexen-1-yl butyrate
Butanoic acid, 3-hexenyl ester, (Z)-
cis-Butyric acid, 3-hexenyl ester
beta,gamma-Hexenyl butyrate
Butyric acid, 3-hexenyl ester, (Z)-
3Z-Hexenyl butyrate
3Z-Hexenyl butanoate
cis-3-hexenyl butanoate
Hexenyl butanoate (3Z)
cis-Hex-3-enyl butyrate
cis-3-hexenyl n-butyrate
cis-Hex-3-enyl butanoate
(Z)-3-hexenyl butanoate
cis-3-Hexenyl butyrate
(Z)-3-HEXENYL BUTYRATE

MDL Number

MFCD00036540

FAQ

What regulatory guidelines apply to (3Z)-3-Hexen-1-yl butyrate (CAS: 16491-36-4)?

The compound (3Z)-3-Hexen-1-yl butyrate (CAS: 16491-36-4) falls under various regulatory guidelines. Under GHS, it is classified as a flammable liquid and requires appropriate hazard communication. In the European Union, it is regulated under REACH, which necessitates registration if produced or imported in quantities above one ton per year. Additionally, it is subject to FDA and EPA regulations for safety in food and environmental applications.

Are there alternatives to (3Z)-3-Hexen-1-yl butyrate (CAS: 16491-36-4) in synthesis?

Alternatives to (3Z)-3-Hexen-1-yl butyrate (CAS: 16491-36-4) include similar esters or other hexenyl derivatives. Isomers or analogs such as (3Z)-3-Hexen-1-yl valerate can be used as substitutes. In synthesis, common alternative reagents like hexanoic acid or hexenol can be employed to produce similar compounds.

What is the market or research trend for (3Z)-3-Hexen-1-yl butyrate (CAS: 16491-36-4)?

The market for (3Z)-3-Hexen-1-yl butyrate (CAS: 16491-36-4) is growing due to its use in fragrances, flavorings, and as a feedstock for other organic compounds. Research trends focus on its applications in the cosmetic and food industries. Recent studies are exploring its potential in biocatalysis and as a renewable resource for chemical synthesis.

How should waste containing (3Z)-3-Hexen-1-yl butyrate (CAS: 16491-36-4) be handled?

Waste containing (3Z)-3-Hexen-1-yl butyrate (CAS: 16491-36-4) should be collected in appropriate containers and stored in a well-ventilated area. For disposal, incineration is a common method, but professional waste disposal services should be utilized to ensure compliance with environmental regulations. Proper handling and disposal practices should include the use of personal protective equipment and adherence to local and international hazardous waste management guidelines.