CAS 625-69-4 2,4-Pentanediol - Materials / Alfa Chemistry

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2,4-Pentanediol

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Catalog Number

ACM625694-1

CAS Number

625-69-4

Product Name

2,4-Pentanediol

Structure

Category

Monomers

Synonyms

Pentane-2,4-diol

IUPAC Name

pentane-2,4-diol

Molecular Weight

104.15

Molecular Formula

C5H12O2

Canonical SMILES

CC(CC(C)O)O

InChI

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

InChI Key

GTCCGKPBSJZVRZ-UHFFFAOYSA-N

Boiling Point

199.0 °C

Complexity

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

210-907-5

Exact Mass

104.0837

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

MeSH Entry Terms

2,4-pentanediol;2,4-pentanediol, (R*,R*)-isomer;2,4-pentanediol, (R*,S*)-isomer

Monoisotopic Mass

104.0837

NSC Number

53505;13528

Rotatable Bond Count

Topological Polar Surface Area

40.5 Å²

UNII

92H536ZDXF

XLogP3

0.1

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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