(2S)-2-Benzylsuccinic acid

Basic Information

View in Editor

CAS Number

3972-36-9

Molecular Formula

C11H12O4

Molecular Weight

208.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

164.0 to 168.0 deg-C

Boiling Point

331.4°C at 760 mmHg

Density

1.29

Flash Point

168.4℃

Refractive Index

1.567

SMILES

View in Editor

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

InChI

InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1

InChIKey

GTOFKXZQQDSVFH-VIFPVBQESA-N

LogP

1.4046

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

231

Safety Information

View Safety Information

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

NCIStruc1_000537
Butanedioic acid, (phenylmethyl)-, (S)-
(2S)-2-benzylbutanedioic acid
(2S)-2-(Phenylmethyl)butanedioic acid
(2S)-2-Benzylsuccinic acid
(S)-Benzylsuccinic Acid
NCIStruc2_000457
CHEMBL1741738
NS00030654
NCGC00013270-02
CCG-38011
Butanedioic acid, (phenylmethyl)-, (2S)-
(2R)-2-benzylsuccinic acid
RNQ8V6JSJ7
(-)-Benzylsuccinic acid
2-Benzyl-succinic acid;(S)-2-Benzylsuccinic Acid
DS-1848
SCHEMBL5688996
(S)-2-Benzylsuccinicacid
(S)-2-benzylsuccinic acid
L-(-)-Benzylsuccinic acid
AC-2816
AKOS015888147
S-Benzyl succinic acid
S-Benzylsuccinic acid
Q-101032
NCI20708
NSC-20708
3972-36-9
AMY22233
S-2-Benzylsuccinic acid

MDL Number

MFCD00798341

Customs Code

2917399090

FAQ

What is (2S)-2-Benzylsuccinic acid (CAS: 3972-36-9)?

(2S)-2-Benzylsuccinic acid (CAS: 3972-36-9) is a chiral organic compound with the chemical formula C10H12O4. It is a derivative of succinic acid, featuring a benzyl group attached to the second carbon. This compound is a white crystalline solid, soluble in water, and exhibits specific stereochemical properties, making it valuable in pharmaceutical and chemical synthesis applications.

What are the main uses of (2S)-2-Benzylsuccinic acid (CAS: 3972-36-9)?

(2S)-2-Benzylsuccinic acid (CAS: 3972-36-9) is primarily used in pharmaceuticals as a chiral intermediate for drug development. It also serves in chemical synthesis to produce enantiomerically pure compounds and is utilized in research for studying stereochemistry effects. Its applications may extend to industrial processes requiring controlled molecular structures.

Is (2S)-2-Benzylsuccinic acid (CAS: 3972-36-9) safe?

(2S)-2-Benzylsuccinic acid (CAS: 3972-36-9) is generally considered safe when handled properly. However, it requires standard safety precautions, such as wearing gloves and eye protection, and avoiding inhalation or skin contact. Safety data sheets (SDS) should be consulted for detailed handling guidelines, and it is not classified as highly toxic under typical exposure conditions.

How should (2S)-2-Benzylsuccinic acid (CAS: 3972-36-9) be stored?

(2S)-2-Benzylsuccinic acid (CAS: 3972-36-9) should be stored in a cool, dry, and dark place, ideally at 25°C. Keep it in airtight containers to prevent moisture absorption and exposure to light. Avoid high humidity and heat to maintain stability, and store away from incompatible substances to ensure long-term integrity.