2-Methyl-2-propanyl 3-hydroxy-4-pentenoate

Basic Information

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CAS Number

122763-67-1

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

238.1±20.0 ºC (760 Torr),

Flash Point

90.5±14.5 ºC,

SMILES

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CC(C)(C)OC(=O)CC(O)C=C

InChI

InChI=1S/C9H16O3/c1-5-7(10)6-8(11)12-9(2,3)4/h5,7,10H,1,6H2,2-4H3

InChIKey

OBFPCKWYDQCBHO-UHFFFAOYSA-N

LogP

1.2651

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

167

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

4-Pentenoic acid, 3-hydroxy-, 1,1-dimethylethyl ester
tert-butyl 3-hydroxypent-4-enoate
3-hydroxy-4-pentenoic acid tert-butyl ester
(R)-tert-butyl 3-hydroxypent-4-enoate
(3S)-3-Hydroxy-4-pentenoic acid tert-butyl ester
OBFPCKWYDQCBHO-UHFFFAOYSA-N
2564AD
OR303186
AB0052347
ST24025896

MDL Number

MFCD18207180

FAQ

What is 2-Methyl-2-propanyl 3-hydroxy-4-pentenoate (CAS: 122763-67-1)?

2-Methyl-2-propanyl 3-hydroxy-4-pentenoate (CAS: 122763-67-1) is an organic compound with the molecular formula C8H14O2. It is a ketone with a pentene structure and a hydroxyl group. This compound is typically colorless and has a fruity odor. It is used in various applications including fragrances, flavorings, and as a solubilizer in pharmaceuticals.

What are the main uses of 2-Methyl-2-propanyl 3-hydroxy-4-pentenoate (CAS: 122763-67-1)?

2-Methyl-2-proanyl 3-hydroxy-4-pentenoate (CAS: 122763-67-1) is primarily used as a fragrance and flavoring agent in the food and cosmetics industries. It is also utilized as a solubilizer in pharmaceutical formulations, enhancing the solubility of active ingredients.

Is 2-Methyl-2-proanyl 3-hydroxy-4-pentenoate (CAS: 122763-67-1) safe?

2-Methyl-2-proanyl 3-hydroxy-4-pentenoate (CAS: 122763-67-1) is considered safe for its intended uses, but users should follow standard safety precautions. It is important to avoid contact with skin and eyes, and to work in a well-ventilated area. It is also advisable to store it in a cool, dry place away from direct sunlight.

How should 2-Methyl-2-proanyl 3-hydroxy-4-pentenoate (CAS: 122763-67-1) be stored?

2-Methyl-2-proanyl 3-hydroxy-4-pentenoate (CAS: 122763-67-1) should be stored in a tightly sealed container to protect it from moisture and light. It should be kept in a cool, dry place, away from direct sunlight and heat sources. The storage temperature should be below 25°C (77°F) to maintain its stability and quality.