(2S)-2-Methyl-1,4-butanediol

Basic Information

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CAS Number

70423-38-0

Molecular Formula

C5H12O2

Molecular Weight

104.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

85 °C / 3mmHg

Density

0.992

Flash Point

146 °C

Refractive Index

1.449

SMILES

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CC(CCO)CO

InChI

InChI=1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3/t5-/m0/s1

InChIKey

MWCBGWLCXSUTHK-YFKPBYRVSA-N

LogP

-0.0028000000000000247

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

37.1

Synonyms & References

English

SCHEMBL2499904
(2S)-2-methylbutane-1,4-diol
(S)-2-methylbutane-1,4-diol
(S)-2-Methyl-1,4-butanediol, >=97.0% (sum of enantiomers, GC)
70423-38-0
(S)-2-Methyl-1,4-butanediol
CS-0197580
(S)-(-)-2-Methyl-1,4-butanediol
1,4-Butanediol, 2-methyl-, (S)-
A836879
MWCBGWLCXSUTHK-YFKPBYRVSA-N
AKOS015840018
MWCBGWLCXSUTHK-YFKPBYRVSA-
M1234
MFCD00671566
InChI=1/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3/t5-/m0/s1
AMY37676
AS-38070
(S)-2-METHYL-BUTANE-1,4-DIOL
1,4-Butanediol,2-methyl-, (S)-

MDL Number

MFCD00671566

FAQ

What is (2S)-2-Methyl-1,4-butanediol (CAS: 70423-38-0)?

(2S)-2-Methyl-1,4-butanediol is a clear, colorless, flammable liquid with a slightly sweet taste. It has the chemical formula C5H10O2 and is commonly used as a raw material in the production of various chemicals and pharmaceuticals. Its properties include a melting point of -19°C, boiling point of 116°C, and a density of 0.912 g/cm³.

What are the main uses of (2S)-2-Methyl-1,4-butanediol (CAS: 70423-38-0)?

(2S)-2-Methyl-1,4-butanediol is primarily used as a precursor in the synthesis of other organic compounds, including pharmaceuticals and polymers. It is also utilized in the production of surfactants, plasticizers, and cosmetics. Additionally, it has applications in the food industry as a flavor enhancer.

Is (2S)-2-Methyl-1,4-butanediol (CAS: 70423-38-0) safe?

(2S)-2-Methyl-1,4-butanediol is generally considered safe for industrial use when handled with appropriate precautions. It is flammable and should be stored in a cool, dry place away from sources of ignition. Protective equipment, such as gloves and safety glasses, should be worn during handling to prevent skin and eye irritation. Avoid contact with eyes, skin, and clothing.

How should (2S)-2-Methyl-1,4-butanediol (CAS: 70423-38-0) be stored?

(2S)-2-Methyl-1,4-butanediol should be stored in a well-ventilated, cool, and dry area. It should be kept away from heat, sparks, and open flames. The storage container should be tightly sealed and made of appropriate materials, such as glass or food-grade plastic, to prevent leaks and contamination. Avoid exposure to direct sunlight and maintain a temperature below room temperature to prevent degradation. Store in a place where it is easily accessible but not at risk of accidental spillage or contact.