Methyl D-isoleucinate hydrochloride (1:1)

Basic Information

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CAS Number

8002-72-0

Molecular Formula

C7H16ClNO2

Molecular Weight

181.66 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 Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Boiling Point

115-238 °C

Density

1.068 g/mL at 25 °C

Refractive Index

n20/D 1.5534

SMILES

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CCC(C)C(C(=O)OC)N.Cl

InChI

InChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t5-,6-;/m1./s1

InChIKey

GGTBEWGOPAFTTH-KGZKBUQUSA-N

LogP

0.9545999999999999

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

114

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

Methyl D-isoleucinate hydrochloride
167223-42-9
D-ISOLEUCINE METHYL ESTER HYDROCHLORIDE
CS-0375715
SCHEMBL4284560
8002-72-0
H-D-Ile-OMe.HCl
(2R,3R)-Methyl 2-amino-3-methylpentanoate hydrochloride
methyl (2R,3R)-2-amino-3-methylpentanoate;hydrochloride
Onion oil
methyl (2R,3R)-2-amino-3-methylpentanoate,hydrochloride
FEMA 2817
Oils,Allium cepa
Onion oleoresin

FAQ

What is Methyl D-isoleucinate hydrochloride (CAS: 8002-72-0)?

Methyl D-isoleucinate hydrochloride (CAS: 8002-72-0) is a compound with a chemical structure derived from D-isoleucine, combined with methyl ester and hydrochloride. It has a distinctive odor and is used in pharmaceuticals, cosmetics, and flavoring agents.

What are the main uses of Methyl D-isoleucinate hydrochloride (CAS: 8002-72-0)?

Methyl D-isoleucinate hydrochloride (CAS: 8002-72-0) is primarily used as a fragrance in perfumes and cosmetics, and as a flavoring agent in the food industry. It also has applications in pharmaceuticals for certain medicinal purposes.

Is Methyl D-isoleucinate hydrochloride (CAS: 8002-72-0) safe?

Methyl D-isoleucinate hydrochloride (CAS: 8002-72-0) is considered safe for use in cosmetics and food products. However, it should be handled with caution and appropriate personal protective equipment to avoid skin contact and inhalation. It is also important to follow all local regulations and guidelines for safe handling.

How should Methyl D-isoleucinate hydrochloride (CAS: 8002-72-0) be stored?

Methyl D-isoleucinate hydrochloride (CAS: 8002-72-0) should be stored in a cool, dry place away from direct sunlight and heat sources. Keep it in a tightly sealed container to prevent moisture and contamination. Store in a well-ventilated area and avoid contact with incompatible materials such as strong bases or oxidizing agents.