(2S)-2-Hydroxy-4-phenylbutanoic acid

Basic Information

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CAS Number

115016-95-0

Molecular Formula

C10H12O3

Molecular Weight

180.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

115.0 to 119.0 deg-C

Boiling Point

356.9°C at 760 mmHg

Density

1.219

Flash Point

183.9°C

Refractive Index

1.564

SMILES

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

InChI

InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m0/s1

InChIKey

JNJCEALGCZSIGB-VIFPVBQESA-N

LogP

1.0647

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

162

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SCHEMBL360781
2-Hydroxy-4-phenylbutyric acid, (+)-
CS-W021166
(2S)-2-hydroxy-4-phenylbutanoic acid
(.ALPHA.S)-.ALPHA.-HYDROXYBENZENEBUTANOIC ACID
115016-95-0
Benzenebutanoic acid, alpha-hydroxy-, (alphaS)-
S(+)-2-hydroxy-4-phenylButyric Acid
L-4-PHENYL-.ALPHA.-HYDROXYBUTYRIC ACID
H1339
AYZ4KJ5LJN
AKOS015855343
Q-200034
BENZENEBUTANOIC ACID, .ALPHA.-HYDROXY-, (.ALPHA.S)-
AKOS006291801
UNII-AYZ4KJ5LJN
(alphaS)-alpha-Hydroxybenzenebutanoic acid
2-(S)-Hydroxy-4-phenylbutyric acid
L-4-phenyl-alpha-hydroxybutyric acid
(s)-2-hydroxy-4-phenylbutanoic acid
DS-12137
MFCD06656492
O10214
JNJCEALGCZSIGB-VIFPVBQESA-N
A803285
(S)-2-Hydroxy-4-phenylbutyric Acid
2-(S)-Hydroxy-4-phenyl-butyric acid
2-Hydroxy-4-phenylbutyric acid, (S)-
(S)-2-hydroxy-4-phenyl butanoic acid
(S)-2-Hydroxy-4-phenylbutyric acid
2-(S)-Hydroxy-4-Phenylbutyric Acid

MDL Number

MFCD06656492

FAQ

What is (2S)-2-Hydroxy-4-phenylbutanoic acid (CAS: 115016-95-0)?

(2S)-2-Hydroxy-4-phenylbutanoic acid, also known as 4-Phenyl-2-hydroxybutanoic acid, is a chemical compound with a molecular formula of C9H10O3. It is a white crystalline solid with a melting point of 158-159°C. This compound is water-soluble and has a pKa of approximately 3.2. It is used in pharmaceuticals, such as in the synthesis of certain drugs, and in research as a building block for other organic compounds.

What are the main uses of (2S)-2-Hydroxy-4-phenylbutanoic acid (CAS: 115016-95-0)?

(2S)-2-Hydroxy-4-phenylbutanoic acid is primarily used in the pharmaceutical industry for the synthesis of drugs and as a research chemical. It has also found applications in the food industry as a flavor enhancer, although its use is regulated. In research, it serves as a precursor for the preparation of other organic compounds and as a standard in analytical chemistry.

Is (2S)-2-Hydroxy-4-phenylbutanoic acid (CAS: 115016-95-0) safe?

(2S)-2-Hydroxy-4-phenylbutanoic acid is generally considered safe for intended uses, but users should follow safety guidelines. It is not toxic to humans, but direct contact with the skin or eyes should be avoided. Protective equipment such as gloves and safety glasses should be worn when handling the compound. It is important to store it in a cool, dry place away from heat and direct sunlight to prevent degradation.

How should (2S)-2-Hydroxy-4-phenylbutanoic acid (CAS: 115016-95-0) be stored?

(2S)-2-Hydroxy-4-phenylbutanoic acid should be stored in a cool, dry place away from direct heat and light. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should not exceed 25°C, and it should be protected from humidity and light to maintain its stability and purity. Proper ventilation is recommended to prevent the accumulation of flammable vapors. Containers should be inspected regularly for any signs of leakage or damage.