cis-3-Hexenyl 3-methylbutanoate

Basic Information

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CAS Number

35154-45-1

Molecular Formula

C11H20O2

Molecular Weight

184.28 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

13.63°C (estimate)

Boiling Point

98 ºC (15 mmHg)

Flash Point

60 ºC

Refractive Index

1.432

SMILES

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CC/C=C\CCOC(=O)CC(C)C

InChI

InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-

InChIKey

AIQLNKITFBJPFO-WAYWQWQTSA-N

LogP

2.9320000000000013

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

160

Safety Information

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GHS Hazard Pictograms

H316

Hazard Statement

H316 Causes mild skin irritation
Skin corrosion/irritation

Synonyms & References

English

cis-3-hexenyl isovalerate
CIS 3 HEXENYL ISOVALERATE
Isovaleric acid cis-3-hexen-1-yl ester
(3Z)-3-Hexenyl 3-methylbutanoate
(Z)-3-hexenyl 3-methylbutanoate
3-hexenylester,(z)-isovalericaci
3-methyl-,3-hexenylester,(z)-butanoicaci
3-methyl-,3-hexenylester,(Z)-Butanoicacid
AI3-35966
Isovaleric acid, 3-hexenyl ester, (Z)-
(Z)-3-HEXENYL ISOVALERATE
cis-3-Hexenyl 3-methylbutanoate
(Z)-3-hexen-1-yl 3-methylbutanoate
Triglycerides
3-cis-hexene
cis-3-Hexene
cis-3-Hexene,pure
cis-3-hexene-1-ol isovalerate
cis-3-Hexenylisovalerat
cis-hex-3-ene
FEMA 3498
Isovaleric Acid cis-3-Hexenyl Ester
(Z)-Hex-3-enyl isovalerate
3-hexenyl ester, (z)-isovaleric aci

MDL Number

MFCD00036533

Customs Code

2915900090

FAQ

What regulatory guidelines apply to cis-3-Hexenyl 3-methylbutanoate (CAS: 35154-45-1)?

cis-3-Hexenyl 3-methylbutanoate (CAS: 35154-45-1) is subject to regulatory guidelines under the Globally Harmonized System (GHS) for classification and labelling of chemicals, REACH regulations for substances placed on the EU market, and FDA/EPA requirements for food and environmental safety. Proper documentation and safety data sheets must be prepared and maintained for compliance with these regulations.

Are there alternatives to cis-3-Hexenyl 3-methylbutanoate in synthesis?

Alternative reagents for synthesizing similar compounds include other esters like 2-hexenal acetate or 3-hexenyl acetate. Isomers such as trans-3-hexenyl 3-methylbutanoate can also be used as alternatives. These options provide similar functionalities and can be chosen based on specific application needs and availability.

What is the market or research trend for cis-3-Hexenyl 3-methylbutanoate?

The market for cis-3-Hexenyl 3-methylbutanoate is driven by its use in flavor and fragrance industries. Research trends focus on its potential in improving sensory qualities of food products and its application in green chemistry for sustainable development. Recent studies have also explored its use in personal care products and as a natural preservative.

How should waste containing cis-3-Hexenyl 3-methylbutanoate be handled?

Waste containing cis-3-Hexenyl 3-methylbutanoate should be collected in appropriate containers and disposed of through incineration or professional waste disposal facilities. Environmental precautions include ensuring no release into water bodies and proper ventilation during handling. Compliance with local waste management regulations is essential to prevent environmental contamination and ensure safety.