3-Butylphthalide Impurity 10 (3-propylidenephthalide)

Basic Information

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CAS Number

17369-59-4

Molecular Formula

C11H10O2

Molecular Weight

174.2 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

5°C

Boiling Point

170°C/12mmHg

Refractive Index

n20/D 1.586(lit.)<br />n20/D 1.586-1.590

SMILES

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CCC=C1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C11H10O2/c1-2-5-10-8-6-3-4-7-9(8)11(12)13-10/h3-7H,2H2,1H3/b10-5-

InChIKey

NGSZDVVHIGAMOJ-YHYXMXQVSA-N

LogP

2.6079000000000008

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

243

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

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

MFCD00051813
LU204L9C7Y
(3Z)-3-propylidene-2-benzouran-1-one
NS00013164
Propylidene phthalide
DTXSID801018094
UNII-LU204L9C7Y
(3Z)-3-Propylidene-1(3H)-isobenzofuranone
3-propylidene-1,3-dihydro-2-benzofuran-1-one
1(3H)-Isobenzofuranone, 3-propylidene-, (Z)-
NCGC00091892-02
17369-59-4
Phthalide, 3-propylidene
P1824
3-Propylidenephthalide, (3Z)-
(3Z)-3-propylidenephthalide
D92161
3-PROPYLIDENEPHTHALIDE
94704-89-9
UNII-WHD8YJ226P
FEMA No. 2952
NGSZDVVHIGAMOJ-YHYXMXQVSA-N
AKOS022181524
(3Z)-3-propylidene-2-benzofuran-1-one
3-Propylidene-1(3H)-isobenzofuranone
3-Propylideneisobenzofuran-1(3H)-one
CCRIS 4708
CHEBI:197073
1(3H)-Isobenzofuranone, 3-propylidene-, (3Z)-
(Z)-3-propylideneisobenzofuran-1(3H)-one
Phthalide, 3-propylidene-

MDL Number

MFCD00051813

Customs Code

2932209090

FAQ

What is 3-Butylphthalide Impurity 10 (CAS: 17369-59-4)?

3-Butylphthalide Impurity 10, also known as 3-propylidenephthalide (CAS: 17369-59-4), is a secondary impurity found in 3-butylphthalide. It is a colorless or white crystalline substance with a melting point around 55-57°C. It is a derivative of phthalide with a butyl group attached to the propylidene carbon.

What are the main uses of 3-Butylphthalide Impurity 10 (CAS: 17369-59-4)?

3-Butylphthalide Impurity 10 is primarily used in pharmaceutical applications as a raw material. It is also used in the research and development of new drug compounds and as a reference substance for quality control.

Is 3-Butylphthalide Impurity 10 (CAS: 17369-59-4) safe?

3-Butylphthalide Impurity 10 is generally considered safe under normal handling and storage conditions. However, it should be handled with care and stored in a well-ventilated area. Direct contact with skin or ingestion should be avoided. Proper personal protective equipment (PPE) should be used when handling the compound.

How should 3-Butylphthalide Impurity 10 (CAS: 17369-59-4) be stored?

3-Butylphthalide Impurity 10 should be stored in a cool, dry place away from direct sunlight and heat sources. The storage temperature should not exceed 25°C. It should be kept in a tightly sealed container to protect it from moisture and light. The container should be labeled clearly and stored out of reach of children and unauthorized personnel.