rel-(2R,4S)-2,4-Pentanediol

CAS Registry Number®

3950-21-8

CAS Name

rel-(2R,4S)-2,4-Pentanediol

Molecular Formula

C5H12O2

Molecular Mass

104.15

Cite this Page

rel-(2R,4S)-2,4-Pentanediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3950-21-8 (retrieved 2024-11-24) (CAS RN: 3950-21-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    49-51 °C @ Press: 0.10-0.12 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5+

InChIKey

InChIKey=GTCCGKPBSJZVRZ-SYDPRGILNA-N

SMILES

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

Canonical SMILES

OC(C)CC(O)C

Other Names for this Substance

  • 2,4-Pentanediol, (2R,4S)-rel-
  • 2,4-Pentanediol, meso-
  • 2,4-Pentanediol, (R*,S*)-
  • rel-(2R,4S)-2,4-Pentanediol
  • meso-2,4-Pentanediol

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Deleted or Replaced CAS Registry Numbers

1227078-09-2

CAS INSIGHTSTM
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