(3S)-1,3-Butanediol

Basic Information

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CAS Number

24621-61-2

Molecular Formula

C4H10O2

Molecular Weight

90.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

0.07°C (estimate)

Boiling Point

109°C/14mmHg

Flash Point

121 ºC

Refractive Index

1.440

Vapor Pressure

0.06 mm Hg ( 20 °C)

Specific Rotation

+27 - +33 °(c=1,EtOH)

SMILES

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CC(CCO)O

InChI

InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1

InChIKey

PUPZLCDOIYMWBV-BYPYZUCNSA-N

LogP

-0.2504000000000002

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

28.7

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

hygroscopic

Synonyms & References

English

1,3-Butanediol, (S)-
S-(+)-1,3-Butanediol
A817400
EINECS 246-363-0
24621-61-2
DB02202
1,3-Butanediol, (3S)-
S-1,3-butanediol
(S)-1,3-butanediol
AKOS015838960
CHEBI:52688
B1160
Q63390504
(S)-(+)-1,3-Butanediol
J-015593
(S)-butane-1,3-diol
(S)-(+)-1,3-Dihydroxybutane
D-Butane-1,3-diol
(S)-(+)-1,3-Butylene Glycol
MFCD00064278
CS-W016671
BU2
AS-11117
NS00084684
(3S)-butane-1,3-diol
EN300-6950561
CHEMBL1231501
(S)-(+)-Butane-1,3-diol
(+)-1,3-butanediol
(S)-(+)-1,3-Butanediol, 98%
(S)-Butane-1,3-diol

MDL Number

MFCD00064278

Customs Code

2905399090

FAQ

What are the physical and chemical properties of (3S)-1,3-Butanediol (CAS: 24621-61-2)?

(3S)-1,3-Butanediol is a colorless liquid with a slightly sweet taste. It has a molecular weight of approximately 88.09 g/mol and a boiling point of 126.5°C. The compound is slightly soluble in water but miscible with many organic solvents. It is less reactive than its isomer, (3R)-1,3-butanediol, and can undergo condensation reactions and reduction processes, making it useful in various chemical applications.

How is (3S)-1,3-Butanediol (CAS: 24621-61-2) typically synthesized?

(3S)-1,3-Butanediol is commonly synthesized via hydrogenation of 1,3-butenedione catalyzed by palladium-based catalysts. The process yields a mixture of (3S) and (3R) isomers, with the (3S) isomer being the more preferred. Other methods include enzymatic reduction of ketones or racemic 1,3-Butanediol, which can be resolved to obtain the (3S) isomer with high enantiomeric excess.

What industries use (3S)-1,3-Butanediol (CAS: 24621-61-2)?

(3S)-1,3-Butanediol is widely used in the pharmaceutical, polymer, and sensor industries. In the pharmaceutical sector, it is used as a precursor for the synthesis of certain drugs. In polymers, it serves as a monomer for the production of polyurethane and other thermoplastics. Additionally, its hydroxyl groups make it suitable for use in the development of sensors and semiconductors.

What precautions should be taken when handling (3S)-1,3-Butanediol (CAS: 24621-61-2)?

When handling (3S)-1,3-Butanediol, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats to prevent skin contact and eye irritation. Work in a well-ventilated area or a fume hood to avoid inhalation. In case of skin contact, wash the affected area with soap and water. For spills, absorb with an appropriate material and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific safety information and emergency procedures.