(3Z)-3-Hexen-1-yl 2-hydroxypropanoate

Basic Information

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CAS Number

61931-81-5

Molecular Formula

C9H16O3

Molecular Weight

172.22 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

Boiling Point

71 °C/0.7 mmHg

Density

0.975 g/mL at 25 °C<br />0.982 g/mL at 25 °C

Refractive Index

n20/D 1.444<br />n20/D 1.446(lit.)

SMILES

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

InChI

InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-

InChIKey

NNLLMULULOBXBY-PLNGDYQASA-N

LogP

1.2667

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

152

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

cis-3-hexenyl lactate
3-Hexenyl 2-hydroxypropionate
Lactic acid cis-3-hexen-1-yl ester
[Z]-3-Hexen-1-yl lactate
cis-3-Hexen-1-yl Lactate
C3 HEXENYL LACTATE
Cis-3-Hexenyl LaCLate
CIS-3-HEXENYL LACTATE,NATURAL
FEMA 3690
(Z)-Hex-3-enyl lactate
(Z)-3-Hexenyl Lactate

MDL Number

MFCD00036495

Customs Code

2918110000

FAQ

What is (3Z)-3-Hexen-1-yl 2-hydroxypropanoate (CAS: 61931-81-5)?

(3Z)-3-Hexen-1-yl 2-hydroxypropanoate, also known as hex-3-en-1-yl propanoate, is an organic compound with the CAS number 61931-81-5. It is a colorless to slightly yellow liquid with a distinctive aroma. The molecular formula is C8H14O2, and it has a pungent odor similar to that of fresh-cut grass and apples.

What are the main uses of (3Z)-3-Hexen-1-yl 2-hydroxypropanoate (CAS: 61931-81-5)?

(3Z)-3-Hexen-1-yl 2-hydroxypropanoate is primarily used as a flavor and fragrance ingredient in the food, cosmetic, and perfume industries. It is also utilized in the pharmaceutical and research sectors for its aromatic properties and potential medicinal applications.

Is (3Z)-3-Hexen-1-yl 2-hydroxypropanoate (CAS: 61931-81-5) safe?

(3Z)-3-Hexen-1-yl 2-hydroxypropanoate is generally considered safe for use in the food, cosmetic, and perfume industries. However, it is important to follow proper safety guidelines, including the use of appropriate protective equipment, such as gloves and safety goggles, and to avoid contact with eyes and skin. Handling should be done in a well-ventilated area and away from open flames or heat sources.

How should (3Z)-3-Hexen-1-yl 2-hydroxypropanoate (CAS: 61931-81-5) be stored?

(3Z)-3-Hexen-1-yl 2-hydroxypropanoate should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a sealed container made of appropriate materials to prevent absorption of moisture and other contaminants. The storage temperature should be maintained between 15°C and 25°C to ensure optimal stability and quality.