methyl (2S)-2-hydroxy-3-phenylpropanoate

Basic Information

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CAS Number

13673-95-5

Molecular Formula

C10H12O3

Molecular Weight

180.2 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

40-45 °C

Boiling Point

286.1°C at 760 mmHg

Flash Point

120 ºC

Refractive Index

1.529

Specific Rotation

-20.0 º(c=2,H2O)

SMILES

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COC(=O)C(CC1=CC=CC=C1)O

InChI

InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m0/s1

InChIKey

NMPPJJIBQQCOOI-VIFPVBQESA-N

LogP

0.7630000000000001

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

162

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

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

Synonyms & References

English

methyl (S)-2-hydroxy-3-phenylpropionoate
SCHEMBL3980617
DTXSID40415351
MFCD00038224
AKOS005067766
methyl 2(S)-hydroxy-3-phenylpropionate
(2s)-methyl 2-hydroxy-3-phenylpropionate
NMPPJJIBQQCOOI-VIFPVBQESA-N
EN300-1174652
DS-14356
(S)-2-Hydroxy-3-phenylpropionic acid, methyl ester
Methyl (S)-2-hydroxy-3-phenylpropionate
(S)-methyl 2-hydroxy-3-phenylpropanoate
(s)-2-hydroxy-3-phenyl-propionic acid methyl ester
Q27464167
J-006901
CS-W007891
Methyl L-3-phenyllactate, >=97.0% (HPLC)
Methyl L-3-phenyllactate
AKOS015850964
13673-95-5
Methyl-(2S)-2-hydroxy-3-phenylpropanoate
FD1247
(S)-(-)-3-phenyllactic acid methyl ester
methyl (2S)-2-hydroxy-3-phenylpropanoate
(S)-Methyl 2-hydroxy-3-phenylpropanoate
alpha-Hydroxybenzenepropanoic acid methyl ester
L-3-Phenyl-lactic acid methyl ester
(-)-3-Phenyllactic acid methyl ester
L(-) PHENYLLACTIC ACID METHYL ESTER
L-PHENYLLACTIC ACID METHYLESTER

MDL Number

MFCD00038224

Customs Code

2918199090

FAQ

What is methyl (2S)-2-hydroxy-3-phenylpropanoate (CAS: 13673-95-5)?

Methyl (2S)-2-hydroxy-3-phenylpropanoate, also known as methyl 2-hydroxy-3-phenylpropanoate, is a chemical compound with the CAS number 13673-95-5. It is a colorless to light yellow liquid with a melting point of -42°C to -40°C and a boiling point of 186-188°C. It is soluble in water and has a fruity odor.

What are the main uses of methyl (2S)-2-hydroxy-3-phenylpropanoate (CAS: 13673-95-5)?

Methyl (2S)-2-hydroxy-3-phenylpropanoate is primarily used as a fragrance ingredient in the perfume and cosmetics industry. It also finds applications as a flavoring agent in food and beverage products. Additionally, it is used in the pharmaceutical industry as an intermediate in the synthesis of other compounds.

Is methyl (2S)-2-hydroxy-3-phenylpropanoate (CAS: 13673-95-5) safe?

Methyl (2S)-2-hydroxy-3-phenylpropanoate is generally considered safe when used as intended. However, it should be handled with caution due to its volatility and potential skin and eye irritation. Proper personal protective equipment (PPE) should be worn during handling, and it should be stored away from sources of heat and ignition. Avoid contact with eyes, skin, and clothing.

How should methyl (2S)-2-hydroxy-3-phenylpropanoate (CAS: 13673-95-5) be stored?

Methyl (2S)-2-hydroxy-3-phenylpropanoate should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage temperature should be between 20-25°C, and the relative humidity should not exceed 65%. It is important to keep the container tightly closed and store it in a well-ventilated area to prevent the accumulation of flammable vapors.