(3R,6R)-3,6-Octanediol

Basic Information

View in Editor

CAS Number

129619-37-0

Molecular Formula

C8H18O2

Molecular Weight

146.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

49.0 to 53.0 deg-C

Boiling Point

243.79°C (rough estimate)

Flash Point

124.5 °C

Refractive Index

1.4411 (estimate)

Specific Rotation

-15° (c 10, ethanol)

SMILES

View in Editor

CC[C@H](CC[C@@H](CC)O)O

InChI

InChI=1S/C8H18O2/c1-3-7(9)5-6-8(10)4-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1

InChIKey

BCKOQWWRTRBSGR-HTQZYQBOSA-N

LogP

1.3083999999999998

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

63.7

Synonyms & References

English

(3R,6R)-3,6-Octanediol
(3R,6R)-3,6-Dihydroxyoctane
(R,R)-octane-3,6-diol
18717_ALDRICH
18717_FLUKA
3,6-Octanediol,(3R,6R)-
AC1MC1DF
CTK4B6340
(R,R)-3,6-OCTANEDIOL
(3R,6R)-OCTANE-3,6-DIOL
(3R,6R)-DIHYDROXYOCTANE
(3R,6R)-(-)-3,6-OCTANEDIOL
(3R,6R)-(-)-3,6-Octanediol,99%
(3R,6R)-3,6-OCTANEDIOL, 95%, (98% EE)
(3R,6R)-3,6-OCTANEDIOL
(3R,6R)-3,6-DIHYDROXYOCTANE

MDL Number

MFCD01631087

FAQ

What regulatory guidelines apply to (3R,6R)-3,6-Octanediol (CAS: 129619-37-0)?

The (3R,6R)-3,6-Octanediol (CAS: 129619-37-0) is classified under GHS as an irritant. It is subject to REACH regulations, which require manufacturers and importers to register the substance if the annual tonnage exceeds one ton. FDA and EPA regulations may apply to its use in certain products, such as pharmaceuticals or cosmetics, requiring compliance with specific labeling and documentation requirements.

Are there alternatives to (3R,6R)-3,6-Octanediol (CAS: 129619-37-0) in synthesis?

Yes, there are alternatives such as 1,4-Butanediol, 1,3-Propanediol, and 1,2-Butanediol, which can be used in synthesis as they share similar properties. Other isomers like (3S,6S)-3,6-Octanediol or different functional groups can also be considered depending on the specific application needs.

What is the market or research trend for (3R,6R)-3,6-Octanediol (CAS: 129619-37-0)?

The market for (3R,6R)-3,6-Octanediol (CAS: 129619-37-0) is growing due to its use in personal care products, as a solvent, and in the synthesis of other chemicals. Research trends include its potential in biodegradable materials and as an environmentally friendly alternative to traditional chemicals. Increasing demand for sustainable solutions is driving innovation in its applications.

How should waste containing (3R,6R)-3,6-Octanediol (CAS: 129619-37-0) be handled?

Waste containing (3R,6R)-3,6-Octanediol (CAS: 129619-37-0) should be collected in appropriate containers and stored in a cool, well-ventilated area away from sources of ignition. Incineration is a common method of disposal, but it should be done in an approved facility. Alternatively, professional waste disposal services can handle the waste safely, ensuring compliance with local environmental regulations and minimizing environmental impact.