(3R)-1,3-Butanediol

Basic Information

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CAS Number

6290-03-5

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

117°C/40mmHg

Density

1.005 g/mL at 25 °C

Water Solubility

Fully miscible in water.

Flash Point

108 ºC

Refractive Index

1.44

Vapor Pressure

0.06 mmHg ( 20 °C)

Specific Rotation

-31 º (c=1 in 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-/m1/s1

InChIKey

PUPZLCDOIYMWBV-SCSAIBSYSA-N

LogP

-0.25039999999999996

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

Sensitiveness

Hygroscopic

Synonyms & References

English

O10183
CS-M1638
(R)-(-)-1,3-butandiol
EN300-7206273
EINECS 228-532-0
NS00080628
HY-77490
1,3-Butanediol, (3R)-
1,3-Butanediol #
CHEBI:52687
AS-11116
(R)-(-)-1,3-Butanediol, 98%
(R)-(-)-1,3-Butanediol
DTXSID001016432
B1159
(3R)-butane-1,3-diol
r-(-)-1,3-butanediol
AKOS015838959
AC-5640
A834075
1,3-(R)-butanediol
1,3-Butanediol, (R)-
AKOS005146047
Q27123551
(R)-butane-1,3-diol
(R)?-?(-?)?-?1,?3-?Butanediol
(R)-1,3-Butylene Glycol
AMY25740
(R)-(-)-Butane-1,3-diol
6290-03-5
MFCD00064277

MDL Number

MFCD00064277

Customs Code

29053920

FAQ

What are the physical and chemical properties of (3R)-1,3-Butanediol (CAS: 6290-03-5)?

(3R)-1,3-Butanediol (CAS: 6290-03-5) is a colorless, hygroscopic liquid with a molecular weight of approximately 78.11 g/mol. It is miscible with water and ethanol. Chemically, it is moderately reactive, especially with carboxylic acids and aldehydes. It crystallizes as white needles at 10-12°C. It is often used in organic synthesis and as a precursor in various industries.

How is (3R)-1,3-Butanediol (CAS: 6290-03-5) typically synthesized?

(3R)-1,3-Butanediol (CAS: 6290-03-5) is typically synthesized via the reduction of 1,3-butenedione using a hydrogenation catalyst such as palladium on carbon or platinum. Other methods include the epoxidation of butylene followed by hydrolysis, or the hydration of propylene oxide. These methods provide high selectivity and yield, making it a commonly used intermediate in chemical manufacturing.

What industries use (3R)-1,3-Butanediol (CAS: 6290-03-5)?

(3R)-1,3-Butanediol (CAS: 6290-03-5) is used in various industries, including pharmaceuticals for the synthesis of active pharmaceutical ingredients, polymers for the production of polyurethane and polyesters, and as a sensor component in analytical devices. It is also utilized in semiconductor manufacturing for cleaning and etching processes.

What precautions should be taken when handling (3R)-1,3-Butanediol (CAS: 6290-03-5)?

When handling (3R)-1,3-Butanediol (CAS: 6290-03-5), ensure that you wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. In case of spill, neutralize with an appropriate acid or base and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.