2-Methyl-1,3-propanediol - Materials / Alfa Chemistry

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2-Methyl-1,3-propanediol

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Catalog Number

ACMA00016793

Product Name

2-Methyl-1,3-propanediol

Category

Polymers

Description

Liquid

IUPAC Name

2-methylpropane-1,3-diol

Molecular Weight

90.12g/mol

Molecular Formula

C4H10O2

Canonical SMILES

CC(CO)CO

InChI

InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3

InChI Key

QWGRWMMWNDWRQN-UHFFFAOYSA-N

Boiling Point

195.0 °C;211 °C

Melting Point

-91.0 °C;-91 °C

Flash Point

127 °C (261 °F) - closed cup

Density

1.015 g/ cu cm at 25 °C

Solubility

In water, greater than or equal to 3000 mg/L at 25 °C;In water, 1.363X10+5 mg/L at 25 °C (est)

Color/Form

Liquid;Clear, colorless liquid

Complexity

24.7

Covalently-Bonded Unit Count

EC Number

412-350-5;606-809-0;928-935-8

Exact Mass

90.06808g/mol

Formal Charge

Heavy Atom Count

Log P

0.24 (LogP);log Kow = 0.24 at 20 °C

MeSH Entry Terms

2-methyl-1,3-propanediol

Monoisotopic Mass

90.06808g/mol

Odor

Little or no odor

Other Experimental

log Kow = -0.6 at 25 °C;Henry's Law constant = 2.3X10-7 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.1X10-11 cu cm/molecule-sec at 25 °C (est)

Refractive Index

Index of refraction: 1.4450 at 20 °C/D

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

UNII

N8F53B3R4R

Vapor Density

3.11

Vapor Pressure

0.02 mmHg;2.1X10-2 mm Hg at 25 °C

XLogP3