CAS 504-63-2 1,3-Propanediol - Materials / Alfa Chemistry

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Monomers

1,3-Propanediol

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Catalog Number

ACM504632

Product Name

1,3-Propanediol

Structure

CAS

504-63-2

Category

Monomers

Synonyms

Propane-1,3-Diol

Description

Liquid; OtherSolid, Liquid

IUPAC Name

Propane-1,3-diol

Molecular Weight

76.09

Molecular Formula

C3H8O2

Canonical SMILES

C(CO)CO

InChI

InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2

InChI Key

YPFDHNVEDLHUCE-UHFFFAOYSA-N

Boiling Point

214 °C

Melting Point

-27 °C (lit.)

Flash Point

79.4±0.0 °C

Purity

98%

Density

1.053 g/ml

Solubility

In water, 1.0X10+6 mg/L at 25 °C (est);Miscible with water;Very soluble in ethyl ether; slightly soluble in benzene;Miscible with alcohol

Appearance

Liquid

Color/Form

Colorless to pale yellow, very viscid liquid

Complexity

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

207-997-3

Exact Mass

76.0524

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Log P

-1.04 (LogP);log Kow = -1.04

MeSH Entry Terms

1,3-propanediol

Monoisotopic Mass

76.0524

NSC Number

65426

Other Experimental

BP: 209.5 °C; density: 1.070 g/cu cm at 14 °C; index of refraction: 1.4192 at 25 °C/D; very soluble in water; soluble in ethanol /1,3-Propanediol diacetate/;Henry's Law constant = 1.74X10-7 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 9.73X10-12 cu cm/molec-sec at 25 °C (est)

Refractive Index

1.434

Rotatable Bond Count

Stability

Chemical stability: Stable under recommended storage conditions.

Topological Polar Surface Area

40.5 Å²

UNII

5965N8W85T

Vapor Pressure

0.04 mmHg;0.0441 mm Hg at 25 °C

XLogP3