(2S)-Acetoxy(phenyl)acetic acid

Basic Information

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CAS Number

7322-88-5

Molecular Formula

C10H10O4

Molecular Weight

194.19 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

96.0 to 102.0 deg-C

Boiling Point

317.8℃ at 760 mmHg

Density

1.324g/cm3

Flash Point

212℃

Refractive Index

153 ° (C=2, Acetone)

Specific Rotation

153 º (c=2 in acetone)

SMILES

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CC(=O)OC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1

InChIKey

OBCUSTCTKLTMBX-VIFPVBQESA-N

LogP

1.3754

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

218

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

(+)-O-Acetyl-L-mandelic Acid
EN300-316469
Acetylmandelic acid, (+)-
AKOS017342896
(S)-2-acetyloxy-2-phenylacetic acid
(+)-o-acetylmandelic acid
Mandelic acid, acetate, L-
(2S)-2-Acetoxy-2-phenyl-acetic acid
(AS)-A-(Acetyloxy)-benzeneacetic acid
Q27236985
Benzeneacetic acid, alpha-(acetyloxy)-, (S)-
OBCUSTCTKLTMBX-VIFPVBQESA-
7322-88-5
0N6KT18K98
(S)-(+)-O-Acetylmandelic acid
(S)-O-Acetylmandelic Acid
(S)-(+)-O-Acetylmandelic acid, 99%
(S)-alpha-Acetoxyphenylacetic acid
SCHEMBL1286155
MFCD00064215
(+)-acetylmandelic acid
S-Acetylmandelic Acid
(S)-(+)-O-Acetyl-L-mandelic acid
AM20060715
UNII-0N6KT18K98
InChI=1/C10H10O4/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)/t9-/m0/s1
(2S)-2-(acetyloxy)-2-phenylacetic acid
GS-3391
(2S)-2-acetyloxy-2-phenylacetic acid
DTXSID50872032
(S)-(+)-alpha-Acetoxyphenylacetic acid

MDL Number

MFCD00064215

Customs Code

2918990090

FAQ

What regulatory guidelines apply to (2S)-Acetoxy(phenyl)acetic acid (CAS: 7322-88-5)?

The (2S)-Acetoxy(phenyl)acetic acid (CAS: 7322-88-5) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) and the European Union's Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations. In the United States, it is subject to the requirements of the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA), focusing on safety data sheets (SDS), hazard communication, and environmental protection.

Are there alternatives to (2S)-Acetoxy(phenyl)acetic acid in synthesis?

Alternatives to (2S)-Acetoxy(phenyl)acetic acid (CAS: 7322-88-5) in synthesis include other carboxylic acids with similar functional groups, such as (2S)-Phenylacetic acid or acetic anhydride. These can serve as precursor reagents in the synthesis of related compounds, offering similar structural features but with different reactivity and properties.

What is the market or research trend for (2S)-Acetoxy(phenyl)acetic acid (CAS: 7322-88-5)?

The market for (2S)-Acetoxy(phenyl)acetic acid (CAS: 7322-88-5) is driven by its use in pharmaceuticals and as a research tool. Current research trends focus on its application in drug discovery, particularly in kinase inhibitors. Market trends indicate increasing demand in the pharmaceutical industry due to its role in developing new therapeutic agents, with ongoing studies exploring its potential in various disease models.

How should waste containing (2S)-Acetoxy(phenyl)acetic acid (CAS: 7322-88-5) be handled?

Waste containing (2S)-Acetoxy(phenyl)acetic acid (CAS: 7322-88-5) should be collected in appropriate containers and stored separately from incompatible materials. The waste should then be handled by a professional hazardous waste disposal service to ensure safe incineration or chemical treatment. Environmental protection precautions include proper labeling and avoiding exposure to air and moisture to prevent hazards.