Methyl 3-hydroxyhexanoate

Basic Information

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CAS Number

21188-58-9

Molecular Formula

C7H14O3

Molecular Weight

146.19 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

Refractive Index

n20/D 1.43(lit.)<br />n20/D 1.430

SMILES

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CCCC(O)CC(=O)OC

InChI

InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3

InChIKey

ACCRBMDJCPPJDX-UHFFFAOYSA-N

LogP

0.7104999999999999

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

101

Safety Information

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GHS Hazard Pictograms

H318

Hazard Statement

H318 Causes serious eye damage
Serious eye damage/eye irritation

Synonyms & References

English

Hexanoic acid,3-hydroxy-, methyl ester
3-hydroxy-hexanoicacimethylester
METHYL-3-HYDROXYCAPROATE
FEMA 3508
3-HYDROXY C6:0 METHYL ESTER
3-Hydroxyhexanoic Acid Methyl Ester
METHYL 3 HYDROXY HEXANOATE
Methyl 3-hydroxyhexanoate
β-hydroxyhexanoic acid methyl ester
Methyl 3-hydroxycaproate
Hexanoic acid, 3-hydroxy-, methyl ester
methyl-3-hydroxyhexanoate
Methyl beta-hydroxycaproate
Methyl beta-hydroxyhexanoate
FEMA No. 3508
3-hydroxycaproic acid methyl ester
Methyl (+/-)-3-hydroxyhexanoate
BCP24425

MDL Number

MFCD00083583

FAQ

What is Methyl 3-hydroxyhexanoate (CAS: 21188-58-9)?

Methyl 3-hydroxyhexanoate (CAS: 21188-58-9) is an organic compound with the molecular formula C7H14O3. It is a colorless liquid with a distinct odor. It is used in various applications such as fragrance ingredients and pharmaceutical intermediates.

What are the main uses of Methyl 3-hydroxyhexanoate (CAS: 21188-58-9)?

Methyl 3-hydroxyhexanoate (CAS: 21188-58-9) is primarily used as a fragrance in perfumes and cosmetics, as well as in the pharmaceutical industry for the synthesis of other compounds. It is also utilized in food products as a flavor enhancer.

Is Methyl 3-hydroxyhexanoate (CAS: 21188-58-9) safe?

Methyl 3-hydroxyhexanoate (CAS: 21188-58-9) is generally considered safe for its intended uses in cosmetics and food products. However, it is important to follow safety guidelines and use appropriate protective measures to avoid skin contact and inhalation of vapors.

How should Methyl 3-hydroxyhexanoate (CAS: 21188-58-9) be stored?

Methyl 3-hydroxyhexanoate (CAS: 21188-58-9) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. Avoid storing it in high humidity areas to maintain its stability and quality.