1,4-Pentanediol

Basic Information

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CAS Number

626-95-9

Molecular Formula

C5H12O2

Molecular Weight

104.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

50.86°C (estimate)

Boiling Point

72-73 °C/0.03 mmHg

Density

0.986 g/mL at 25 °C

Refractive Index

n20/D 1.447(lit.)

SMILES

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CC(O)CCCO

InChI

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

InChIKey

GLOBUAZSRIOKLN-UHFFFAOYSA-N

LogP

0.13970000000000005

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

37.1

Synonyms & References

English

1,4-Pentanediol
pentane-1,4-diol
4-methyl-1,4-butanediol
ethanol,n-propanol
GLOBUAZSRIOKLN-UHFFFAOYSA
GLOBUAZSRIOKLN-UHFFFAOYSA-N
1,4 pentanediol
GLOBUAZSRIOKLN-UHFFFAOYSA-
ST24048884
InChI=1/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3

MDL Number

MFCD00004560

FAQ

What regulatory guidelines apply to 1,4-Pentanediol (CAS: 626-95-9)?

1,4-Pentanediol (CAS: 626-95-9) is regulated under the Globally Harmonized System (GHS) for classification as a skin and eye irritant. In Europe, it is subject to the REACH regulations, requiring registrants to submit health and environmental data. In the United States, FDA and EPA require reporting and record-keeping for industrial uses. Compliance with these regulations is essential for safe handling and transportation.

Are there alternatives to 1,4-Pentanediol (CAS: 626-95-9) in synthesis?

There are several alternatives to 1,4-Pentanediol (CAS: 626-95-9) in synthesis, such as 1,3-Propanediol and 1,5-Pentanediol, which offer similar properties. Other substitutes include diethylene glycol and glycerol. These alternatives can be chosen based on specific reaction requirements and availability.

What is the market or research trend for 1,4-Pentanediol (CAS: 626-95-9)?

The market for 1,4-Pentanediol (CAS: 626-95-9) shows steady growth, driven by its use in polyurethane production, pharmaceuticals, and as a solvent. Research trends focus on its application in sustainable materials and biodegradable polymers. Emerging studies explore its potential in new chemical synthesis pathways and environmental applications, indicating continued interest and innovation.

How should waste containing 1,4-Pentanediol (CAS: 626-95-9) be handled?

Waste containing 1,4-Pentanediol (CAS: 626-95-9) should be collected in sealed containers and disposed of according to local regulations. Incineration is a common method, but it must be conducted in an enclosed system to prevent environmental contamination. Professional waste disposal services are recommended to ensure compliance with environmental protection standards.